smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H](C(=O)OCC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1)C(F)(F)F ZINC000745618961 1078561329 /nfs/dbraw/zinc/56/13/29/1078561329.db2.gz NSYUBEVEDSLQBO-ZDUSSCGKSA-N 1 2 400.397 2.007 20 0 HEADLO CC(C)CN(CC(C)C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[C@@H]3O[C@H]1[C@H]1C[C@H]13)C2 ZINC001109538445 1078603216 /nfs/dbraw/zinc/60/32/16/1078603216.db2.gz BIPQVNJOTXZOQU-KSZDVZKTSA-N 1 2 417.594 2.272 20 0 HEADLO CC(C)CN(CC(C)C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[C@@H]3O[C@H]1[C@H]1C[C@H]13)C2 ZINC001109538445 1078603218 /nfs/dbraw/zinc/60/32/18/1078603218.db2.gz BIPQVNJOTXZOQU-KSZDVZKTSA-N 1 2 417.594 2.272 20 0 HEADLO CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)C[N@@H+]2CC[C@H](CC(F)(F)F)C2)C1=O ZINC000769846588 1078605441 /nfs/dbraw/zinc/60/54/41/1078605441.db2.gz PWYUZKYBLYBGGD-ACJLOTCBSA-N 1 2 412.412 2.149 20 0 HEADLO CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)C[N@H+]2CC[C@H](CC(F)(F)F)C2)C1=O ZINC000769846588 1078605453 /nfs/dbraw/zinc/60/54/53/1078605453.db2.gz PWYUZKYBLYBGGD-ACJLOTCBSA-N 1 2 412.412 2.149 20 0 HEADLO Cc1ccc(N2CCC[C@@H](NC(=O)NC[C@@]3([NH+]4CCOCC4)CCSC3)C2)cc1 ZINC000745737017 1078622780 /nfs/dbraw/zinc/62/27/80/1078622780.db2.gz MYZJXWRUBLAWQQ-KNQAVFIVSA-N 1 2 418.607 2.471 20 0 HEADLO CC(C)(C)OC(=O)N1CCC[C@@H](CNC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)C1 ZINC000745797627 1078651450 /nfs/dbraw/zinc/65/14/50/1078651450.db2.gz NUAGRXUUEURNPN-ROUUACIJSA-N 1 2 410.559 2.140 20 0 HEADLO COc1ccc(C2CCN(C(=O)NC3CC[NH+](CCS(C)(=O)=O)CC3)CC2)cc1 ZINC000745811460 1078656830 /nfs/dbraw/zinc/65/68/30/1078656830.db2.gz AGENCFORFMNOER-UHFFFAOYSA-N 1 2 423.579 2.093 20 0 HEADLO COCCOC[C@@H]1CCN(C(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)C1 ZINC000745868304 1078668126 /nfs/dbraw/zinc/66/81/26/1078668126.db2.gz QXYDKLVKGFJCLE-GOSISDBHSA-N 1 2 404.555 2.416 20 0 HEADLO CCCCn1c(N)c(N(Cc2ccco2)C(=O)c2cccc3[nH+]ccn32)c(=O)[nH]c1=O ZINC000770054867 1078707116 /nfs/dbraw/zinc/70/71/16/1078707116.db2.gz KNCHCYIIIZTKFP-UHFFFAOYSA-N 1 2 422.445 2.419 20 0 HEADLO COC(=O)c1ccsc1N1CC[C@@H]([N@@H+]2CC[C@H](CNC(=O)OC(C)(C)C)C2)C1=O ZINC000745942263 1078700795 /nfs/dbraw/zinc/70/07/95/1078700795.db2.gz GBJNIYWUPVXDLT-UKRRQHHQSA-N 1 2 423.535 2.487 20 0 HEADLO COC(=O)c1ccsc1N1CC[C@@H]([N@H+]2CC[C@H](CNC(=O)OC(C)(C)C)C2)C1=O ZINC000745942263 1078700800 /nfs/dbraw/zinc/70/08/00/1078700800.db2.gz GBJNIYWUPVXDLT-UKRRQHHQSA-N 1 2 423.535 2.487 20 0 HEADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)Nc2ccc(N3CCNC(=O)C3)c(Cl)c2)C1 ZINC000770204457 1078786663 /nfs/dbraw/zinc/78/66/63/1078786663.db2.gz GTLAPDMSYNYIGP-CQSZACIVSA-N 1 2 416.913 2.421 20 0 HEADLO C[NH+](C)Cc1ccccc1NC(=O)c1ccc(F)c(S(=O)(=O)Cc2ncon2)c1 ZINC000746120515 1078796279 /nfs/dbraw/zinc/79/62/79/1078796279.db2.gz ADSQZXJOCBQIHL-UHFFFAOYSA-N 1 2 418.450 2.497 20 0 HEADLO CC(C)(C)OC(=O)NC[C@@H]1CCCCN1C(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000746175308 1078810963 /nfs/dbraw/zinc/81/09/63/1078810963.db2.gz SOLAREZYNWNNSP-SFHVURJKSA-N 1 2 417.554 2.109 20 0 HEADLO Cn1c(=O)c2ccc(C(=O)Nc3ccc(N4CC[C@H]([NH+](C)C)C4)cn3)cc2[nH]c1=S ZINC000746290626 1078837794 /nfs/dbraw/zinc/83/77/94/1078837794.db2.gz FNPQUFSFGAYJNC-HNNXBMFYSA-N 1 2 424.530 2.010 20 0 HEADLO COC(=O)CCn1nc(C)c(C[N@@H+]2CCOC[C@H]2C[C@H](O)c2ccccc2)c1C ZINC000770356870 1078839823 /nfs/dbraw/zinc/83/98/23/1078839823.db2.gz VLANTPYHSGOKJZ-CTNGQTDRSA-N 1 2 401.507 2.388 20 0 HEADLO COC(=O)CCn1nc(C)c(C[N@H+]2CCOC[C@H]2C[C@H](O)c2ccccc2)c1C ZINC000770356870 1078839829 /nfs/dbraw/zinc/83/98/29/1078839829.db2.gz VLANTPYHSGOKJZ-CTNGQTDRSA-N 1 2 401.507 2.388 20 0 HEADLO CC[N@@H+]1CCC[C@@H](CNC(=O)c2ccc3c(c2)[nH]c(=S)n(CCCOC)c3=O)C1 ZINC000746300648 1078847106 /nfs/dbraw/zinc/84/71/06/1078847106.db2.gz GRFKUIYGFYHTLQ-HNNXBMFYSA-N 1 2 418.563 2.183 20 0 HEADLO CC[N@H+]1CCC[C@@H](CNC(=O)c2ccc3c(c2)[nH]c(=S)n(CCCOC)c3=O)C1 ZINC000746300648 1078847107 /nfs/dbraw/zinc/84/71/07/1078847107.db2.gz GRFKUIYGFYHTLQ-HNNXBMFYSA-N 1 2 418.563 2.183 20 0 HEADLO Cc1nnnn1/C(=C\c1ccc(F)cc1)C(=O)N1CCC([N@H+](C)CC(F)F)CC1 ZINC000746320676 1078857606 /nfs/dbraw/zinc/85/76/06/1078857606.db2.gz APPUZRABMJYCSV-BOPFTXTBSA-N 1 2 408.428 2.307 20 0 HEADLO Cc1nnnn1/C(=C\c1ccc(F)cc1)C(=O)N1CCC([N@@H+](C)CC(F)F)CC1 ZINC000746320676 1078857611 /nfs/dbraw/zinc/85/76/11/1078857611.db2.gz APPUZRABMJYCSV-BOPFTXTBSA-N 1 2 408.428 2.307 20 0 HEADLO C[C@@H]1C[N@H+](CCNC(=O)NCc2cnn(-c3ccc(Br)cc3)c2)CCO1 ZINC000770474709 1078874221 /nfs/dbraw/zinc/87/42/21/1078874221.db2.gz MORHRJJZJVOSFB-CQSZACIVSA-N 1 2 422.327 2.155 20 0 HEADLO C[C@@H]1C[N@@H+](CCNC(=O)NCc2cnn(-c3ccc(Br)cc3)c2)CCO1 ZINC000770474709 1078874227 /nfs/dbraw/zinc/87/42/27/1078874227.db2.gz MORHRJJZJVOSFB-CQSZACIVSA-N 1 2 422.327 2.155 20 0 HEADLO CC(=O)N1CCc2cc(S(=O)(=O)N3CC[NH+](CCc4ccccc4)CC3)ccc21 ZINC000053702928 1078878642 /nfs/dbraw/zinc/87/86/42/1078878642.db2.gz SEYQKZOQFBOTQG-UHFFFAOYSA-N 1 2 413.543 2.145 20 0 HEADLO CCc1coc(C[NH2+][C@@H]2C[C@@H](C(=O)N3CCSC3)N(C(=O)OC(C)(C)C)C2)n1 ZINC001170015232 1078880521 /nfs/dbraw/zinc/88/05/21/1078880521.db2.gz UVEROKHVRNHAAN-CABCVRRESA-N 1 2 410.540 2.238 20 0 HEADLO CC(C)(C)[C@@H]1CCCC[C@@H]1CNC(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000746378293 1078884262 /nfs/dbraw/zinc/88/42/62/1078884262.db2.gz RUAIQJGNWYFKOM-IEBWSBKVSA-N 1 2 419.570 2.123 20 0 HEADLO Cc1ccc(CC[N@H+](C[C@H]2CCCO2)CN2C(=O)C[C@@H](Cc3cnn(C)c3)C2=O)cc1 ZINC000746380570 1078885805 /nfs/dbraw/zinc/88/58/05/1078885805.db2.gz TUVDFGYKGRWCIO-FGZHOGPDSA-N 1 2 424.545 2.327 20 0 HEADLO Cc1ccc(CC[N@@H+](C[C@H]2CCCO2)CN2C(=O)C[C@@H](Cc3cnn(C)c3)C2=O)cc1 ZINC000746380570 1078885808 /nfs/dbraw/zinc/88/58/08/1078885808.db2.gz TUVDFGYKGRWCIO-FGZHOGPDSA-N 1 2 424.545 2.327 20 0 HEADLO CNC(=O)CC1CC[NH+](CN2C(=O)N[C@@](C)(c3ccc(CC(C)C)cc3)C2=O)CC1 ZINC000746384551 1078888357 /nfs/dbraw/zinc/88/83/57/1078888357.db2.gz CIPDJLTZAQHFOC-QHCPKHFHSA-N 1 2 414.550 2.458 20 0 HEADLO C[S@](=O)c1cccc(C(=O)OCC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000770607736 1078914215 /nfs/dbraw/zinc/91/42/15/1078914215.db2.gz HWSQLHXFKXSZKH-LJAQVGFWSA-N 1 2 416.499 2.052 20 0 HEADLO CCC[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(=O)NC1CCCCC1 ZINC001109690635 1078914440 /nfs/dbraw/zinc/91/44/40/1078914440.db2.gz DKFZLLOPJOCDDH-DBDQLMEASA-N 1 2 404.555 2.303 20 0 HEADLO CCC[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(=O)NC1CCCCC1 ZINC001109690635 1078914451 /nfs/dbraw/zinc/91/44/51/1078914451.db2.gz DKFZLLOPJOCDDH-DBDQLMEASA-N 1 2 404.555 2.303 20 0 HEADLO CC/C=C(\C)C(=O)N1CSC[C@@H]1C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000770664644 1078924894 /nfs/dbraw/zinc/92/48/94/1078924894.db2.gz IKXVRJSMKRRTHT-DRESWSQNSA-N 1 2 404.536 2.423 20 0 HEADLO C[C@H]1CC[N@H+](Cn2nc(CCC(N)=O)n(C[C@@H]3CCCO3)c2=S)CC12CCC2 ZINC000770671420 1078926501 /nfs/dbraw/zinc/92/65/01/1078926501.db2.gz YTDCPDDDIGDWME-HOTGVXAUSA-N 1 2 407.584 2.481 20 0 HEADLO C[C@H]1CC[N@@H+](Cn2nc(CCC(N)=O)n(C[C@@H]3CCCO3)c2=S)CC12CCC2 ZINC000770671420 1078926509 /nfs/dbraw/zinc/92/65/09/1078926509.db2.gz YTDCPDDDIGDWME-HOTGVXAUSA-N 1 2 407.584 2.481 20 0 HEADLO CCOC(=O)c1ccc(Br)c(S(=O)(=O)N2CC[N@H+](C)[C@H](C)[C@H]2C)c1 ZINC000770717813 1078946097 /nfs/dbraw/zinc/94/60/97/1078946097.db2.gz ZHJSASJHEJEZCZ-VXGBXAGGSA-N 1 2 419.341 2.339 20 0 HEADLO CCOC(=O)c1ccc(Br)c(S(=O)(=O)N2CC[N@@H+](C)[C@H](C)[C@H]2C)c1 ZINC000770717813 1078946103 /nfs/dbraw/zinc/94/61/03/1078946103.db2.gz ZHJSASJHEJEZCZ-VXGBXAGGSA-N 1 2 419.341 2.339 20 0 HEADLO COC(=O)C1=C(C[NH2+][C@@H](CO)c2ccsc2)N(C)C(=O)N[C@H]1c1ccccc1 ZINC000770690051 1078959163 /nfs/dbraw/zinc/95/91/63/1078959163.db2.gz VKUFPAUTOHYKAY-YJBOKZPZSA-N 1 2 401.488 2.195 20 0 HEADLO COc1cccc(OCC[NH+]2CCN(C(=O)c3ccc(-n4ccnc4)nc3)CC2)c1 ZINC000766409431 1078962211 /nfs/dbraw/zinc/96/22/11/1078962211.db2.gz VUZVLHCAWKBJII-UHFFFAOYSA-N 1 2 407.474 2.113 20 0 HEADLO CS(=O)(=O)c1ccc([C@H](O)C[NH+]2CCC(O)(Cc3cccc(F)c3)CC2)cc1 ZINC000770704025 1078972651 /nfs/dbraw/zinc/97/26/51/1078972651.db2.gz URGZJHGRRWUYEZ-HXUWFJFHSA-N 1 2 407.507 2.332 20 0 HEADLO C[NH+]1CCC2(CCCN2S(=O)(=O)c2cc(S(C)(=O)=O)sc2Cl)CC1 ZINC000770700347 1078967102 /nfs/dbraw/zinc/96/71/02/1078967102.db2.gz YQJAUSKTFACXNH-UHFFFAOYSA-N 1 2 412.986 2.054 20 0 HEADLO COc1cccc(OCC[NH+]2CCN(C(=O)CN(C)C(=O)OC(C)(C)C)CC2)c1 ZINC000766419909 1078988139 /nfs/dbraw/zinc/98/81/39/1078988139.db2.gz NWADBALTBCWWBT-UHFFFAOYSA-N 1 2 407.511 2.085 20 0 HEADLO C[C@H](C(=O)Nc1ccc(N2CCOCC2)cc1)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000746458599 1079000115 /nfs/dbraw/zinc/00/01/15/1079000115.db2.gz QTWOQYPTGQRCQU-LJQANCHMSA-N 1 2 424.545 2.374 20 0 HEADLO O=C(CN(CC[NH+]1CCOCC1)c1ccccc1)Nc1ccc(N2CCOCC2)cc1 ZINC000746462352 1079016149 /nfs/dbraw/zinc/01/61/49/1079016149.db2.gz AMIHELLGYYKRPX-UHFFFAOYSA-N 1 2 424.545 2.301 20 0 HEADLO Cc1cc[nH+]c(N2CCN(C(=O)CCn3c(=O)c4ccccc4[nH]c3=S)CC2)c1 ZINC000766493410 1079031863 /nfs/dbraw/zinc/03/18/63/1079031863.db2.gz LFSJLOQKJWGVRO-UHFFFAOYSA-N 1 2 409.515 2.128 20 0 HEADLO CC(C)C[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(=O)NC1CCCC1 ZINC001109735782 1079034023 /nfs/dbraw/zinc/03/40/23/1079034023.db2.gz WNSWJXPKNRLTFG-DBDQLMEASA-N 1 2 404.555 2.159 20 0 HEADLO CC(C)C[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(=O)NC1CCCC1 ZINC001109735782 1079034029 /nfs/dbraw/zinc/03/40/29/1079034029.db2.gz WNSWJXPKNRLTFG-DBDQLMEASA-N 1 2 404.555 2.159 20 0 HEADLO CC[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCCOc1cccc(F)c1 ZINC001109738338 1079034987 /nfs/dbraw/zinc/03/49/87/1079034987.db2.gz MOYSXNUQRCZHAJ-ZTTMTSROSA-N 1 2 403.498 2.088 20 0 HEADLO CC[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCCOc1cccc(F)c1 ZINC001109738338 1079034990 /nfs/dbraw/zinc/03/49/90/1079034990.db2.gz MOYSXNUQRCZHAJ-ZTTMTSROSA-N 1 2 403.498 2.088 20 0 HEADLO COC(=O)c1scc(C)c1NC(=O)[C@@H](C)N1CC[NH+](Cc2ccncc2)CC1 ZINC001168924836 1079077220 /nfs/dbraw/zinc/07/72/20/1079077220.db2.gz HXOAZTDRKGEAII-OAHLLOKOSA-N 1 2 402.520 2.383 20 0 HEADLO C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N1CCO[C@@H](C[NH+]2CCOCC2)C1 ZINC001169004534 1079097699 /nfs/dbraw/zinc/09/76/99/1079097699.db2.gz ZECIDBQSJXCSOB-YJBOKZPZSA-N 1 2 400.441 2.444 20 0 HEADLO CC(C)CN1N=C(C(=O)N[C@@H](c2ccc(Cl)cc2)[C@@H]2C[N@H+](C)CCO2)CCC1=O ZINC000766568637 1079104801 /nfs/dbraw/zinc/10/48/01/1079104801.db2.gz DJKSQISCJJLNBJ-ICSRJNTNSA-N 1 2 420.941 2.462 20 0 HEADLO CC(C)CN1N=C(C(=O)N[C@@H](c2ccc(Cl)cc2)[C@@H]2C[N@@H+](C)CCO2)CCC1=O ZINC000766568637 1079104803 /nfs/dbraw/zinc/10/48/03/1079104803.db2.gz DJKSQISCJJLNBJ-ICSRJNTNSA-N 1 2 420.941 2.462 20 0 HEADLO Cc1cc(N2CCN(C(=O)COC(=O)c3cnccc3Cl)CC2)nc(C(C)C)[nH+]1 ZINC000771061850 1079120122 /nfs/dbraw/zinc/12/01/22/1079120122.db2.gz APVKVDBNCGXQQR-UHFFFAOYSA-N 1 2 417.897 2.462 20 0 HEADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C1CCN(C(=O)c2cccnc2)CC1 ZINC000771066533 1079123935 /nfs/dbraw/zinc/12/39/35/1079123935.db2.gz XYZZKFCGEPJHOW-UHFFFAOYSA-N 1 2 409.490 2.113 20 0 HEADLO C[S@](=O)CC[NH+]1CCN(c2ccc(C(=O)Nc3cccc(Cl)c3)cn2)CC1 ZINC000771146231 1079160892 /nfs/dbraw/zinc/16/08/92/1079160892.db2.gz MHSDYTNFTKWNDS-MHZLTWQESA-N 1 2 406.939 2.488 20 0 HEADLO O=C(NCCn1c[nH+]cc1-c1ccccc1)c1ccc(C[C@H]2CC(=O)NC2=O)cc1 ZINC001169158260 1079168698 /nfs/dbraw/zinc/16/86/98/1079168698.db2.gz FLUSPTSLRFTOQI-IBGZPJMESA-N 1 2 402.454 2.185 20 0 HEADLO O=C(NCC[NH+]1CCN(c2cccc(Cl)c2)CC1)C(=O)Nc1ccc(Cl)nc1 ZINC000766612449 1079173434 /nfs/dbraw/zinc/17/34/34/1079173434.db2.gz FTFQMXRRMKSBAP-UHFFFAOYSA-N 1 2 422.316 2.265 20 0 HEADLO COC(=O)C1CCN(c2cc(NCC3CCC4(CCC(=O)N4)CC3)[nH+]cn2)CC1 ZINC001169289522 1079221131 /nfs/dbraw/zinc/22/11/31/1079221131.db2.gz HWAUHADYBOZCEH-UHFFFAOYSA-N 1 2 401.511 2.117 20 0 HEADLO COC(=O)C1CCN(c2cc(NCC3CCC4(CCC(=O)N4)CC3)nc[nH+]2)CC1 ZINC001169289522 1079221138 /nfs/dbraw/zinc/22/11/38/1079221138.db2.gz HWAUHADYBOZCEH-UHFFFAOYSA-N 1 2 401.511 2.117 20 0 HEADLO CCOC(=O)[C@H]1CC[C@@H]([N@H+](Cc2cnn(CC)c2)Cc2c(C)nn(C)c2C)CO1 ZINC001169391956 1079262596 /nfs/dbraw/zinc/26/25/96/1079262596.db2.gz MEERQPMQBPUQBO-UYAOXDASSA-N 1 2 403.527 2.366 20 0 HEADLO CCOC(=O)[C@H]1CC[C@@H]([N@@H+](Cc2cnn(CC)c2)Cc2c(C)nn(C)c2C)CO1 ZINC001169391956 1079262605 /nfs/dbraw/zinc/26/26/05/1079262605.db2.gz MEERQPMQBPUQBO-UYAOXDASSA-N 1 2 403.527 2.366 20 0 HEADLO CCOC(=O)[C@@H]1CC[C@H]([N@H+]2Cc3ncn(C)c3[C@@H](COCc3cccnc3)C2)CO1 ZINC001169397400 1079269186 /nfs/dbraw/zinc/26/91/86/1079269186.db2.gz NAHXZCACMQWACO-HBFSDRIKSA-N 1 2 414.506 2.042 20 0 HEADLO CCOC(=O)[C@@H]1CC[C@H]([N@@H+]2Cc3ncn(C)c3[C@@H](COCc3cccnc3)C2)CO1 ZINC001169397400 1079269198 /nfs/dbraw/zinc/26/91/98/1079269198.db2.gz NAHXZCACMQWACO-HBFSDRIKSA-N 1 2 414.506 2.042 20 0 HEADLO Cc1cc(N[C@@H]2C[C@H](C(=O)OCc3ccccc3)CCC[NH2+]2)nc(S(C)(=O)=O)n1 ZINC001169520578 1079321570 /nfs/dbraw/zinc/32/15/70/1079321570.db2.gz NHEJBKQPGBWQIP-IAGOWNOFSA-N 1 2 418.519 2.060 20 0 HEADLO C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1ccc2c(c1)[nH]c(=S)n(Cc1ccco1)c2=O ZINC000771397571 1079321875 /nfs/dbraw/zinc/32/18/75/1079321875.db2.gz RMTAXVNHLLJXHE-KBPBESRZSA-N 1 2 412.515 2.491 20 0 HEADLO C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)c1ccc2c(c1)[nH]c(=S)n(Cc1ccco1)c2=O ZINC000771397571 1079321879 /nfs/dbraw/zinc/32/18/79/1079321879.db2.gz RMTAXVNHLLJXHE-KBPBESRZSA-N 1 2 412.515 2.491 20 0 HEADLO Cc1nc(S(C)(=O)=O)ncc1N[C@@H]1C[C@@H](C(=O)OCc2ccccc2)CCC[NH2+]1 ZINC001169518024 1079328690 /nfs/dbraw/zinc/32/86/90/1079328690.db2.gz GPIDOOGATOAPJB-FUHWJXTLSA-N 1 2 418.519 2.060 20 0 HEADLO COc1cc(NC(=O)c2ccco2)c(C(=O)N[C@H]2CCc3c[nH+]cn3C2)cc1OC ZINC000804331848 1079340661 /nfs/dbraw/zinc/34/06/61/1079340661.db2.gz DXRDNAZQCZPMAV-ZDUSSCGKSA-N 1 2 410.430 2.490 20 0 HEADLO CCOC(=O)N1CCC[C@H]([NH+]2CCN(S(=O)(=O)c3cccc(F)c3)CC2)CC1 ZINC001169680803 1079365944 /nfs/dbraw/zinc/36/59/44/1079365944.db2.gz CXBZAIGZRNWAIP-KRWDZBQOSA-N 1 2 413.515 2.143 20 0 HEADLO C/C(=C\C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1)c1cccc(F)c1 ZINC000737753879 1075923052 /nfs/dbraw/zinc/92/30/52/1075923052.db2.gz WQHQGSNLVFSBCR-GHRIWEEISA-N 1 2 411.481 2.204 20 0 HEADLO C/C(=C\C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1)c1cccc(F)c1 ZINC000737753879 1075923057 /nfs/dbraw/zinc/92/30/57/1075923057.db2.gz WQHQGSNLVFSBCR-GHRIWEEISA-N 1 2 411.481 2.204 20 0 HEADLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)c1ccccc1 ZINC000737841672 1075935681 /nfs/dbraw/zinc/93/56/81/1075935681.db2.gz QCJLHDMJAHEOOU-KNQAVFIVSA-N 1 2 424.545 2.406 20 0 HEADLO CC[N@H+](CCC(=O)OC)CN1C(=O)N[C@@](C)(c2ccc(Br)s2)C1=O ZINC000738098720 1075960995 /nfs/dbraw/zinc/96/09/95/1075960995.db2.gz ZYQMRANDTGVCJC-HNNXBMFYSA-N 1 2 418.313 2.120 20 0 HEADLO CC[N@@H+](CCC(=O)OC)CN1C(=O)N[C@@](C)(c2ccc(Br)s2)C1=O ZINC000738098720 1075960997 /nfs/dbraw/zinc/96/09/97/1075960997.db2.gz ZYQMRANDTGVCJC-HNNXBMFYSA-N 1 2 418.313 2.120 20 0 HEADLO COC(=O)[C@H]1CCC[N@H+](CN2C(=O)N[C@](C)(c3ccccc3Br)C2=O)C1 ZINC000738055893 1075961887 /nfs/dbraw/zinc/96/18/87/1075961887.db2.gz IMJACIDIAOCCCO-KPZWWZAWSA-N 1 2 424.295 2.059 20 0 HEADLO COC(=O)[C@H]1CCC[N@@H+](CN2C(=O)N[C@](C)(c3ccccc3Br)C2=O)C1 ZINC000738055893 1075961891 /nfs/dbraw/zinc/96/18/91/1075961891.db2.gz IMJACIDIAOCCCO-KPZWWZAWSA-N 1 2 424.295 2.059 20 0 HEADLO C[N@H+](C[C@@H]1CCCO1)CN1C(=O)N[C@](C)(c2ccc(OC(F)(F)F)cc2)C1=O ZINC000738065664 1075962386 /nfs/dbraw/zinc/96/23/86/1075962386.db2.gz KPULHKCQAZZNBB-WMLDXEAASA-N 1 2 401.385 2.421 20 0 HEADLO C[N@@H+](C[C@@H]1CCCO1)CN1C(=O)N[C@](C)(c2ccc(OC(F)(F)F)cc2)C1=O ZINC000738065664 1075962392 /nfs/dbraw/zinc/96/23/92/1075962392.db2.gz KPULHKCQAZZNBB-WMLDXEAASA-N 1 2 401.385 2.421 20 0 HEADLO O=C1N[C@](c2ccccc2)(C(F)(F)F)C(=O)N1CN1CCC[C@H](n2cc[nH+]c2)C1 ZINC000738149467 1075969228 /nfs/dbraw/zinc/96/92/28/1075969228.db2.gz RVGCRISQVUFEGO-YJBOKZPZSA-N 1 2 407.396 2.487 20 0 HEADLO c1cc(-c2ccn(CN3CCN(c4cc(N5CCOCC5)[nH+]cn4)CC3)n2)cs1 ZINC000738289831 1075985086 /nfs/dbraw/zinc/98/50/86/1075985086.db2.gz UACHIPDKCDLILY-UHFFFAOYSA-N 1 2 411.535 2.018 20 0 HEADLO CCOC(=O)C1C(C[N@H+]2CCC[C@@H](OCC)C2)=NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000738321393 1075989421 /nfs/dbraw/zinc/98/94/21/1075989421.db2.gz VVJOJJGDMOWNQT-YLJYHZDGSA-N 1 2 417.506 2.367 20 0 HEADLO CCOC(=O)C1C(C[N@@H+]2CCC[C@@H](OCC)C2)=NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000738321393 1075989431 /nfs/dbraw/zinc/98/94/31/1075989431.db2.gz VVJOJJGDMOWNQT-YLJYHZDGSA-N 1 2 417.506 2.367 20 0 HEADLO CCOC(=O)C1=C(C[N@H+]2CCC[C@@H](OCC)C2)NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000738321393 1075989437 /nfs/dbraw/zinc/98/94/37/1075989437.db2.gz VVJOJJGDMOWNQT-YLJYHZDGSA-N 1 2 417.506 2.367 20 0 HEADLO CCOC(=O)C1=C(C[N@@H+]2CCC[C@@H](OCC)C2)NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000738321393 1075989441 /nfs/dbraw/zinc/98/94/41/1075989441.db2.gz VVJOJJGDMOWNQT-YLJYHZDGSA-N 1 2 417.506 2.367 20 0 HEADLO C[C@@H](c1cccc(NC(=O)C(=O)NC[C@](C)(O)c2cccs2)c1)[NH+]1CCOCC1 ZINC000740524414 1076205512 /nfs/dbraw/zinc/20/55/12/1076205512.db2.gz ZKXHPXJPDYYSRL-BTYIYWSLSA-N 1 2 417.531 2.104 20 0 HEADLO C[C@@H](NC(=O)c1ccccc1C[NH+]1CCOCC1)c1cccc(NS(C)(=O)=O)c1 ZINC000740741664 1076230489 /nfs/dbraw/zinc/23/04/89/1076230489.db2.gz OGCFHRYBGVKLSW-MRXNPFEDSA-N 1 2 417.531 2.381 20 0 HEADLO C[C@@H]1C[N@H+](CN2C(=O)C(=O)N(C3CCCCC3)C2=O)CC[C@H]1NC(=O)OC(C)(C)C ZINC000740857177 1076269592 /nfs/dbraw/zinc/26/95/92/1076269592.db2.gz YPZYUHLVXYYNMU-GDBMZVCRSA-N 1 2 422.526 2.303 20 0 HEADLO C[C@@H]1C[N@@H+](CN2C(=O)C(=O)N(C3CCCCC3)C2=O)CC[C@H]1NC(=O)OC(C)(C)C ZINC000740857177 1076269596 /nfs/dbraw/zinc/26/95/96/1076269596.db2.gz YPZYUHLVXYYNMU-GDBMZVCRSA-N 1 2 422.526 2.303 20 0 HEADLO CCC[N@H+](CN1c2cc3c(cc2C(=O)C1=O)OCCO3)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000740857080 1076269628 /nfs/dbraw/zinc/26/96/28/1076269628.db2.gz BAEIGGIFOITLHD-SVIJTADQSA-N 1 2 400.475 2.470 20 0 HEADLO CCC[N@@H+](CN1c2cc3c(cc2C(=O)C1=O)OCCO3)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000740857080 1076269633 /nfs/dbraw/zinc/26/96/33/1076269633.db2.gz BAEIGGIFOITLHD-SVIJTADQSA-N 1 2 400.475 2.470 20 0 HEADLO C[C@@H]1C[N@H+](CC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000740883516 1076283237 /nfs/dbraw/zinc/28/32/37/1076283237.db2.gz QXTNTHIWBFNWCK-TZMCWYRMSA-N 1 2 403.483 2.442 20 0 HEADLO C[C@@H]1C[N@@H+](CC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000740883516 1076283255 /nfs/dbraw/zinc/28/32/55/1076283255.db2.gz QXTNTHIWBFNWCK-TZMCWYRMSA-N 1 2 403.483 2.442 20 0 HEADLO C[C@@](O)(CNC(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1)c1ccsc1 ZINC000740904924 1076298578 /nfs/dbraw/zinc/29/85/78/1076298578.db2.gz SOVHCGXRKYSMPM-OAQYLSRUSA-N 1 2 416.547 2.358 20 0 HEADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc(NC(=O)OC(C)(C)C)cc2O)CC1 ZINC000740923999 1076307067 /nfs/dbraw/zinc/30/70/67/1076307067.db2.gz SQCZOVVBHIUGGJ-UHFFFAOYSA-N 1 2 420.510 2.023 20 0 HEADLO CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccc(NC(=O)OC(C)(C)C)cc2O)CC1 ZINC000740923999 1076307069 /nfs/dbraw/zinc/30/70/69/1076307069.db2.gz SQCZOVVBHIUGGJ-UHFFFAOYSA-N 1 2 420.510 2.023 20 0 HEADLO C[C@@H](NC(=O)c1cnn(-c2ccc(F)cc2)n1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000741204357 1076418316 /nfs/dbraw/zinc/41/83/16/1076418316.db2.gz NEFHPWFXEJMUSX-IIBYNOLFSA-N 1 2 409.465 2.426 20 0 HEADLO C[C@@H](NC(=O)c1cnn(-c2ccc(F)cc2)n1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000741204357 1076418318 /nfs/dbraw/zinc/41/83/18/1076418318.db2.gz NEFHPWFXEJMUSX-IIBYNOLFSA-N 1 2 409.465 2.426 20 0 HEADLO CCOC(=O)c1sc2nc(C[NH+](C)C)nc(N3CC[C@@](F)(C(=O)OC)C3)c2c1C ZINC000751961778 1076436657 /nfs/dbraw/zinc/43/66/57/1076436657.db2.gz NIXIPYCCYNXMGR-IBGZPJMESA-N 1 2 424.498 2.329 20 0 HEADLO O=C(COC(=O)CN1CCc2ccccc21)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000741332320 1076479986 /nfs/dbraw/zinc/47/99/86/1076479986.db2.gz LQVGGSJGMOWQQE-UHFFFAOYSA-N 1 2 409.486 2.063 20 0 HEADLO CCOC(=O)[C@@H]1CCCN(C(=O)COC(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC000741350190 1076490983 /nfs/dbraw/zinc/49/09/83/1076490983.db2.gz HSJIDSADBDQDQG-WOJBJXKFSA-N 1 2 416.518 2.386 20 0 HEADLO CCOC(=O)[C@@H]1CCCN(C(=O)COC(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC000741350190 1076490993 /nfs/dbraw/zinc/49/09/93/1076490993.db2.gz HSJIDSADBDQDQG-WOJBJXKFSA-N 1 2 416.518 2.386 20 0 HEADLO NS(=O)(=O)c1ccc(OCCOC(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)cc1 ZINC000741353567 1076493181 /nfs/dbraw/zinc/49/31/81/1076493181.db2.gz OVKLILRCFHQCCT-HXUWFJFHSA-N 1 2 418.515 2.311 20 0 HEADLO NS(=O)(=O)c1ccc(OCCOC(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)cc1 ZINC000741353567 1076493183 /nfs/dbraw/zinc/49/31/83/1076493183.db2.gz OVKLILRCFHQCCT-HXUWFJFHSA-N 1 2 418.515 2.311 20 0 HEADLO C[C@@H]1CCCC[C@H]1OCCNC(=O)COC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000741389677 1076497170 /nfs/dbraw/zinc/49/71/70/1076497170.db2.gz WUSHXMBOYRCNLG-HMXCVIKNSA-N 1 2 418.534 2.142 20 0 HEADLO C[C@@H]1CCCC[C@H]1OCCNC(=O)COC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000741389677 1076497176 /nfs/dbraw/zinc/49/71/76/1076497176.db2.gz WUSHXMBOYRCNLG-HMXCVIKNSA-N 1 2 418.534 2.142 20 0 HEADLO C[C@H](OC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1)C(=O)NCc1ccccc1F ZINC000741380470 1076505828 /nfs/dbraw/zinc/50/58/28/1076505828.db2.gz UBUMLYYSSGDEAE-OXJNMPFZSA-N 1 2 400.450 2.275 20 0 HEADLO C[C@H](OC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1)C(=O)NCc1ccccc1F ZINC000741380470 1076505831 /nfs/dbraw/zinc/50/58/31/1076505831.db2.gz UBUMLYYSSGDEAE-OXJNMPFZSA-N 1 2 400.450 2.275 20 0 HEADLO C[C@H](OC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000741380652 1076505877 /nfs/dbraw/zinc/50/58/77/1076505877.db2.gz DDBKKSASAPAHGT-WEYGHZABSA-N 1 2 424.497 2.459 20 0 HEADLO C[C@H](OC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000741380652 1076505882 /nfs/dbraw/zinc/50/58/82/1076505882.db2.gz DDBKKSASAPAHGT-WEYGHZABSA-N 1 2 424.497 2.459 20 0 HEADLO Cc1ccccc1CCNC(=O)[C@H](C)OC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000741383360 1076507796 /nfs/dbraw/zinc/50/77/96/1076507796.db2.gz LYSLOGNLNCISGI-UGKGYDQZSA-N 1 2 410.514 2.486 20 0 HEADLO Cc1ccccc1CCNC(=O)[C@H](C)OC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000741383360 1076507805 /nfs/dbraw/zinc/50/78/05/1076507805.db2.gz LYSLOGNLNCISGI-UGKGYDQZSA-N 1 2 410.514 2.486 20 0 HEADLO COc1ccc(C)cc1C[NH+]1CCN([C@H](C)C(=O)Nc2sccc2C(N)=O)CC1 ZINC000741677631 1076583729 /nfs/dbraw/zinc/58/37/29/1076583729.db2.gz WYJUFPPLKKUWIW-OAHLLOKOSA-N 1 2 416.547 2.309 20 0 HEADLO CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)C[N@@H+]2Cc3ccccc3C[C@@H]2C)C1=O ZINC000741798518 1076623866 /nfs/dbraw/zinc/62/38/66/1076623866.db2.gz UVZDWEYXULBFNB-QMHKHESXSA-N 1 2 406.486 2.322 20 0 HEADLO CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)C[N@H+]2Cc3ccccc3C[C@@H]2C)C1=O ZINC000741798518 1076623869 /nfs/dbraw/zinc/62/38/69/1076623869.db2.gz UVZDWEYXULBFNB-QMHKHESXSA-N 1 2 406.486 2.322 20 0 HEADLO COC(=O)Nc1ccc(CNC(=O)CN2CC[NH+]([C@@H](C)c3cccnc3)CC2)cc1 ZINC000741788869 1076628238 /nfs/dbraw/zinc/62/82/38/1076628238.db2.gz JBAJVFWSDCHRBW-KRWDZBQOSA-N 1 2 411.506 2.255 20 0 HEADLO C[C@H]1Cc2ccccc2C[N@@H+]1CC(=O)NN1C(=O)N[C@@](C)(CCc2ccccc2)C1=O ZINC000741797688 1076640661 /nfs/dbraw/zinc/64/06/61/1076640661.db2.gz OJAWOPVVMMRBIL-XDHUDOTRSA-N 1 2 420.513 2.408 20 0 HEADLO C[C@H]1Cc2ccccc2C[N@H+]1CC(=O)NN1C(=O)N[C@@](C)(CCc2ccccc2)C1=O ZINC000741797688 1076640671 /nfs/dbraw/zinc/64/06/71/1076640671.db2.gz OJAWOPVVMMRBIL-XDHUDOTRSA-N 1 2 420.513 2.408 20 0 HEADLO CN(C)c1ccc([NH+]2CCC(NC(=O)Cn3nnc(-c4ccccc4)n3)CC2)cc1 ZINC000741981804 1076702432 /nfs/dbraw/zinc/70/24/32/1076702432.db2.gz GSRFCVCKNNRNHR-UHFFFAOYSA-N 1 2 405.506 2.191 20 0 HEADLO CCC(CC)[C@@H](C(=O)Nc1ccc(N2CCC(C(N)=O)CC2)cc1)[NH+]1CCOCC1 ZINC000742059839 1076716674 /nfs/dbraw/zinc/71/66/74/1076716674.db2.gz HSXOBJMOSZCISA-NRFANRHFSA-N 1 2 416.566 2.464 20 0 HEADLO CCN(CC)S(=O)(=O)c1ccc2nn(C[N@H+]3C[C@@H]4[C@H](C3)C4(C)C)c(=S)n2c1 ZINC000742166326 1076761586 /nfs/dbraw/zinc/76/15/86/1076761586.db2.gz LJIWCPKDDHIOPD-GASCZTMLSA-N 1 2 409.581 2.441 20 0 HEADLO CCN(CC)S(=O)(=O)c1ccc2nn(C[N@@H+]3C[C@@H]4[C@H](C3)C4(C)C)c(=S)n2c1 ZINC000742166326 1076761590 /nfs/dbraw/zinc/76/15/90/1076761590.db2.gz LJIWCPKDDHIOPD-GASCZTMLSA-N 1 2 409.581 2.441 20 0 HEADLO C[C@@H]1CCC[C@H](C)[N@H+](CN2C(=O)N[C@](C)(c3ccc(S(C)(=O)=O)cc3)C2=O)C1 ZINC000742156407 1076769922 /nfs/dbraw/zinc/76/99/22/1076769922.db2.gz WDHWTTIXJBRMFE-QEEYODRMSA-N 1 2 407.536 2.325 20 0 HEADLO C[C@@H]1CCC[C@H](C)[N@@H+](CN2C(=O)N[C@](C)(c3ccc(S(C)(=O)=O)cc3)C2=O)C1 ZINC000742156407 1076769931 /nfs/dbraw/zinc/76/99/31/1076769931.db2.gz WDHWTTIXJBRMFE-QEEYODRMSA-N 1 2 407.536 2.325 20 0 HEADLO COCCCn1c(=O)c2ccc(C(=O)N3CCC34CC[NH+](C)CC4)cc2[nH]c1=S ZINC000742187102 1076777088 /nfs/dbraw/zinc/77/70/88/1076777088.db2.gz JTJDYGJHEINELI-UHFFFAOYSA-N 1 2 416.547 2.032 20 0 HEADLO CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)N1C[C@@H](n2cc[nH+]c2)Cc2ccccc21 ZINC000742231995 1076802099 /nfs/dbraw/zinc/80/20/99/1076802099.db2.gz NMPIFRNYUKQYCG-HNNXBMFYSA-N 1 2 415.475 2.084 20 0 HEADLO COC(=O)c1ccc(S(=O)(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)cc1 ZINC000742317429 1076828790 /nfs/dbraw/zinc/82/87/90/1076828790.db2.gz FUJOXGRXFKXEOS-UHFFFAOYSA-N 1 2 417.531 2.487 20 0 HEADLO Cc1cc(C)n(Cc2cccc(C(N)=[NH+]O[C@@H]3CCN(c4cc(C)nn4C)C3=O)c2)n1 ZINC000742357568 1076830303 /nfs/dbraw/zinc/83/03/03/1076830303.db2.gz XNNNYBNAEVTBNA-LJQANCHMSA-N 1 2 421.505 2.242 20 0 HEADLO O=C(c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)N1CC[NH+](C2CC2)CC1 ZINC000742446713 1076838654 /nfs/dbraw/zinc/83/86/54/1076838654.db2.gz GYQWAHGNRKWFKF-UHFFFAOYSA-N 1 2 411.955 2.435 20 0 HEADLO CC(C)=CC(=O)NCc1ccc(C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)cc1 ZINC000742574954 1076852839 /nfs/dbraw/zinc/85/28/39/1076852839.db2.gz OHHSWNFVPUTPHQ-QFIPXVFZSA-N 1 2 417.575 2.207 20 0 HEADLO CN(C)c1nc(N)nc(C[NH+]2CCC([C@@H]3CCCN3C(=O)OC(C)(C)C)CC2)n1 ZINC000742625195 1076858706 /nfs/dbraw/zinc/85/87/06/1076858706.db2.gz NRKKZLOIWDBPTB-HNNXBMFYSA-N 1 2 405.547 2.131 20 0 HEADLO Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000742657804 1076861270 /nfs/dbraw/zinc/86/12/70/1076861270.db2.gz YAEXDLNDPKLORW-UHFFFAOYSA-N 1 2 424.954 2.073 20 0 HEADLO Cc1cc(NC(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)ccc1N1C(=O)CCC1=O ZINC000743158459 1076978836 /nfs/dbraw/zinc/97/88/36/1076978836.db2.gz UBUDGCRNOFIFCL-GOSISDBHSA-N 1 2 414.506 2.367 20 0 HEADLO O=C(NCc1ccccc1C[NH+]1CCOCC1)Nc1ccn(Cc2ccccn2)n1 ZINC000743167749 1076985119 /nfs/dbraw/zinc/98/51/19/1076985119.db2.gz SDNXCXRLYZIAPL-UHFFFAOYSA-N 1 2 406.490 2.480 20 0 HEADLO C[C@H]1CN(c2ccc(NC(=O)NC[C@@]3([NH+]4CCOCC4)CCSC3)cc2)CCO1 ZINC000743174072 1076988868 /nfs/dbraw/zinc/98/88/68/1076988868.db2.gz DFMNXHSOTVXVPE-UWJYYQICSA-N 1 2 420.579 2.241 20 0 HEADLO CCC(CC)[C@H](C(=O)N1Cc2c(OC)ccc(OC)c2[C@@H](O)C1)[NH+]1CCOCC1 ZINC000743290589 1077025743 /nfs/dbraw/zinc/02/57/43/1077025743.db2.gz MVINZXGRBKIMAT-LAUBAEHRSA-N 1 2 406.523 2.216 20 0 HEADLO COCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](Cn2c3ccc(C(=O)C(C)C)cc3oc2=O)C1 ZINC000743359657 1077031974 /nfs/dbraw/zinc/03/19/74/1077031974.db2.gz VSSRSHXZBVJXGI-DOTOQJQBSA-N 1 2 417.506 2.254 20 0 HEADLO COCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](Cn2c3ccc(C(=O)C(C)C)cc3oc2=O)C1 ZINC000743359657 1077031979 /nfs/dbraw/zinc/03/19/79/1077031979.db2.gz VSSRSHXZBVJXGI-DOTOQJQBSA-N 1 2 417.506 2.254 20 0 HEADLO C[C@@H]1C[NH+](CN2C(=O)N[C@@](C)(c3cccc(N4CCOC4=O)c3)C2=O)C[C@@H](C)S1 ZINC000743374548 1077032963 /nfs/dbraw/zinc/03/29/63/1077032963.db2.gz DUXWMTDEXFGCIQ-JZKQVHKSSA-N 1 2 418.519 2.194 20 0 HEADLO CC(=O)Nc1cc(NC(=O)C(=O)N[C@H](Cn2cc[nH+]c2)C(C)(C)C)c(F)cc1F ZINC000743381723 1077037238 /nfs/dbraw/zinc/03/72/38/1077037238.db2.gz ZYJYUBHHOWUHNU-MRXNPFEDSA-N 1 2 407.421 2.289 20 0 HEADLO CN(C[C@H]1CCC[N@@H+]1CN1C(=O)N[C@H](Cc2ccccc2)C1=O)C(=O)OC(C)(C)C ZINC000743393100 1077040671 /nfs/dbraw/zinc/04/06/71/1077040671.db2.gz HFWKEEJBNFOOFS-QZTJIDSGSA-N 1 2 416.522 2.438 20 0 HEADLO CN(C[C@H]1CCC[N@H+]1CN1C(=O)N[C@H](Cc2ccccc2)C1=O)C(=O)OC(C)(C)C ZINC000743393100 1077040676 /nfs/dbraw/zinc/04/06/76/1077040676.db2.gz HFWKEEJBNFOOFS-QZTJIDSGSA-N 1 2 416.522 2.438 20 0 HEADLO Cc1cc(C)n(-c2ccc(NC(=O)C(=O)NCc3ccc(-n4cc[nH+]c4)cc3)cn2)n1 ZINC000743403023 1077043425 /nfs/dbraw/zinc/04/34/25/1077043425.db2.gz CXIAFSIWSTUFGY-UHFFFAOYSA-N 1 2 415.457 2.325 20 0 HEADLO Cc1nc(-c2ccccc2NC(=O)C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)no1 ZINC000743403439 1077047072 /nfs/dbraw/zinc/04/70/72/1077047072.db2.gz NVABRPWWGZXPDT-UHFFFAOYSA-N 1 2 402.414 2.486 20 0 HEADLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)N[C@@H]1CC(=O)N(CCOc2ccccc2)C1 ZINC000743565327 1077069825 /nfs/dbraw/zinc/06/98/25/1077069825.db2.gz WPUVIQBBUASBQV-LJQANCHMSA-N 1 2 419.485 2.351 20 0 HEADLO COC(=O)N1CCC[C@@H](NC(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)C1 ZINC000743583391 1077072987 /nfs/dbraw/zinc/07/29/87/1077072987.db2.gz PBAHGHDSSCTURG-QGZVFWFLSA-N 1 2 403.527 2.251 20 0 HEADLO CN(C)c1ccc([NH+]2CCC(NC(=O)NCc3nnnn3-c3ccccc3)CC2)cc1 ZINC000743600649 1077078608 /nfs/dbraw/zinc/07/86/08/1077078608.db2.gz VYPGCFHMCUQZPU-UHFFFAOYSA-N 1 2 420.521 2.197 20 0 HEADLO CS(=O)(=O)c1ccc([C@@H](O)C[N@@H+]2CCc3c(cccc3N3CCOC3=O)C2)cc1 ZINC000743857164 1077144468 /nfs/dbraw/zinc/14/44/68/1077144468.db2.gz APJUSWRQVGWSLQ-FQEVSTJZSA-N 1 2 416.499 2.138 20 0 HEADLO CS(=O)(=O)c1ccc([C@@H](O)C[N@H+]2CCc3c(cccc3N3CCOC3=O)C2)cc1 ZINC000743857164 1077144501 /nfs/dbraw/zinc/14/45/01/1077144501.db2.gz APJUSWRQVGWSLQ-FQEVSTJZSA-N 1 2 416.499 2.138 20 0 HEADLO CN(C)S(=O)(=O)c1cccc(C[N@@H+]2CCc3c(cccc3N3CCOC3=O)C2)c1 ZINC000743858003 1077145724 /nfs/dbraw/zinc/14/57/24/1077145724.db2.gz KMXBBMUJQJURAF-UHFFFAOYSA-N 1 2 415.515 2.452 20 0 HEADLO CN(C)S(=O)(=O)c1cccc(C[N@H+]2CCc3c(cccc3N3CCOC3=O)C2)c1 ZINC000743858003 1077145739 /nfs/dbraw/zinc/14/57/39/1077145739.db2.gz KMXBBMUJQJURAF-UHFFFAOYSA-N 1 2 415.515 2.452 20 0 HEADLO CN(C)S(=O)(=O)c1ccc(C[N@@H+]2CCC[C@@H]2CN(C)C(=O)OC(C)(C)C)o1 ZINC000743866371 1077150564 /nfs/dbraw/zinc/15/05/64/1077150564.db2.gz LCOBWHAWCQSWLH-CQSZACIVSA-N 1 2 401.529 2.361 20 0 HEADLO CN(C)S(=O)(=O)c1ccc(C[N@H+]2CCC[C@@H]2CN(C)C(=O)OC(C)(C)C)o1 ZINC000743866371 1077150574 /nfs/dbraw/zinc/15/05/74/1077150574.db2.gz LCOBWHAWCQSWLH-CQSZACIVSA-N 1 2 401.529 2.361 20 0 HEADLO O=C(NCc1ccccc1OCC[NH+]1CCOCC1)[C@@H]1CC(c2ccccc2)=NO1 ZINC000743937574 1077228327 /nfs/dbraw/zinc/22/83/27/1077228327.db2.gz QWLZSSJMAHTFAL-QFIPXVFZSA-N 1 2 409.486 2.207 20 0 HEADLO CC(=O)Nc1cccc(NC(=O)C(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)c1 ZINC000743944084 1077238770 /nfs/dbraw/zinc/23/87/70/1077238770.db2.gz CGIZNFQROCXAHS-UHFFFAOYSA-N 1 2 423.517 2.435 20 0 HEADLO CC(C)NS(=O)(=O)c1cc(C(=O)NCC[NH+]2Cc3ccccc3C2)ccc1F ZINC000743920949 1077244762 /nfs/dbraw/zinc/24/47/62/1077244762.db2.gz CAHLRVBKTKIVHJ-UHFFFAOYSA-N 1 2 405.495 2.258 20 0 HEADLO CCCCNC(=O)C1CC[NH+](CN2C(=O)N[C@@](C)(c3ccccc3F)C2=O)CC1 ZINC000744137538 1077327629 /nfs/dbraw/zinc/32/76/29/1077327629.db2.gz QYHRGOIFHHHZAS-NRFANRHFSA-N 1 2 404.486 2.179 20 0 HEADLO C[C@@]1(c2ccccc2F)NC(=O)N(C[NH+]2CCC(CC(=O)N3CCCC3)CC2)C1=O ZINC000744139824 1077328073 /nfs/dbraw/zinc/32/80/73/1077328073.db2.gz METRMHWMSSCJSR-QFIPXVFZSA-N 1 2 416.497 2.275 20 0 HEADLO CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)C[N@@H+]2CCC[C@H]2c2ccc(O)cc2)C1=O ZINC000744200616 1077338698 /nfs/dbraw/zinc/33/86/98/1077338698.db2.gz NGCJZCBCBGISKG-WMZHIEFXSA-N 1 2 422.485 2.418 20 0 HEADLO CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)C[N@H+]2CCC[C@H]2c2ccc(O)cc2)C1=O ZINC000744200616 1077338707 /nfs/dbraw/zinc/33/87/07/1077338707.db2.gz NGCJZCBCBGISKG-WMZHIEFXSA-N 1 2 422.485 2.418 20 0 HEADLO COc1ccc(NC(=O)NC(=O)C[N@@H+]2CCc3c(cccc3N3CCOC3=O)C2)cc1 ZINC000744414286 1077378418 /nfs/dbraw/zinc/37/84/18/1077378418.db2.gz LUXXVXXHQDSZRZ-UHFFFAOYSA-N 1 2 424.457 2.358 20 0 HEADLO COc1ccc(NC(=O)NC(=O)C[N@H+]2CCc3c(cccc3N3CCOC3=O)C2)cc1 ZINC000744414286 1077378426 /nfs/dbraw/zinc/37/84/26/1077378426.db2.gz LUXXVXXHQDSZRZ-UHFFFAOYSA-N 1 2 424.457 2.358 20 0 HEADLO CCN(CC1CC[NH+]([C@H]2CC(=O)N(c3cnn(C)c3)C2=O)CC1)C(=O)OC(C)(C)C ZINC000744429279 1077390752 /nfs/dbraw/zinc/39/07/52/1077390752.db2.gz LONPPLIAOZPOLY-KRWDZBQOSA-N 1 2 419.526 2.021 20 0 HEADLO Cc1cc(N2CCN(C(=O)COC(=O)CCc3ccccn3)CC2)nc(C(C)C)[nH+]1 ZINC000744881191 1077650143 /nfs/dbraw/zinc/65/01/43/1077650143.db2.gz DYGNXLYAIVOOSS-UHFFFAOYSA-N 1 2 411.506 2.128 20 0 HEADLO CC[NH+](CC)[C@H](C(=O)O[C@@H](C)C(=O)N1CCC(C(=O)OC)CC1)c1ccccc1 ZINC000744996346 1077700069 /nfs/dbraw/zinc/70/00/69/1077700069.db2.gz KNQLJJDPWWFKHI-LPHOPBHVSA-N 1 2 404.507 2.413 20 0 HEADLO C[C@H](OC(=O)[C@@H]1CCCC[N@@H+]1C)C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21 ZINC000745080792 1077734697 /nfs/dbraw/zinc/73/46/97/1077734697.db2.gz UORXZVNWSOPAIL-NHYWBVRUSA-N 1 2 413.396 2.407 20 0 HEADLO C[C@H](OC(=O)[C@@H]1CCCC[N@H+]1C)C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21 ZINC000745080792 1077734704 /nfs/dbraw/zinc/73/47/04/1077734704.db2.gz UORXZVNWSOPAIL-NHYWBVRUSA-N 1 2 413.396 2.407 20 0 HEADLO O=C(COC(=O)c1c(F)cc(F)cc1F)NCc1ccccc1C[NH+]1CCOCC1 ZINC000745153880 1077761101 /nfs/dbraw/zinc/76/11/01/1077761101.db2.gz QNBGPZUATKZATP-UHFFFAOYSA-N 1 2 422.403 2.409 20 0 HEADLO COc1cc(OC)c(OC)cc1NC(=O)C(=O)N[C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000766326783 1077764067 /nfs/dbraw/zinc/76/40/67/1077764067.db2.gz XKYHGRPGSCYHLE-QGZVFWFLSA-N 1 2 404.467 2.079 20 0 HEADLO Cc1cc([C@](C)(O)CNC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)c(C)o1 ZINC000745289048 1077803932 /nfs/dbraw/zinc/80/39/32/1077803932.db2.gz DUJXDZCCBJLERF-SIKLNZKXSA-N 1 2 401.507 2.304 20 0 HEADLO Cc1cc([C@](C)(O)CNC(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c(C)o1 ZINC000745289048 1077803933 /nfs/dbraw/zinc/80/39/33/1077803933.db2.gz DUJXDZCCBJLERF-SIKLNZKXSA-N 1 2 401.507 2.304 20 0 HEADLO C[N@H+]1Cc2ccccc2[C@@H](NS(=O)(=O)CCNC(=O)OCc2ccccc2)C1 ZINC000771787561 1079506238 /nfs/dbraw/zinc/50/62/38/1079506238.db2.gz VZJSWRMAFLHLKP-IBGZPJMESA-N 1 2 403.504 2.019 20 0 HEADLO C[N@@H+]1Cc2ccccc2[C@@H](NS(=O)(=O)CCNC(=O)OCc2ccccc2)C1 ZINC000771787561 1079506246 /nfs/dbraw/zinc/50/62/46/1079506246.db2.gz VZJSWRMAFLHLKP-IBGZPJMESA-N 1 2 403.504 2.019 20 0 HEADLO Cn1c(-c2nc([C@H]3C[N@@H+]4CCCC[C@H]4CO3)no2)cc2c1nc1ccccn1c2=O ZINC000771787548 1079506410 /nfs/dbraw/zinc/50/64/10/1079506410.db2.gz UPYHUFBYOCCNCU-XJKSGUPXSA-N 1 2 406.446 2.162 20 0 HEADLO Cn1c(-c2nc([C@H]3C[N@H+]4CCCC[C@H]4CO3)no2)cc2c1nc1ccccn1c2=O ZINC000771787548 1079506419 /nfs/dbraw/zinc/50/64/19/1079506419.db2.gz UPYHUFBYOCCNCU-XJKSGUPXSA-N 1 2 406.446 2.162 20 0 HEADLO C[N@H+]1Cc2ccccc2[C@H](NS(=O)(=O)CCNC(=O)OCc2ccccc2)C1 ZINC000771787564 1079506441 /nfs/dbraw/zinc/50/64/41/1079506441.db2.gz VZJSWRMAFLHLKP-LJQANCHMSA-N 1 2 403.504 2.019 20 0 HEADLO C[N@@H+]1Cc2ccccc2[C@H](NS(=O)(=O)CCNC(=O)OCc2ccccc2)C1 ZINC000771787564 1079506443 /nfs/dbraw/zinc/50/64/43/1079506443.db2.gz VZJSWRMAFLHLKP-LJQANCHMSA-N 1 2 403.504 2.019 20 0 HEADLO CCOC(=O)c1cc(C)sc1NC(=O)C[N@@H+]1CCC[C@H]1C[C@@H](O)c1cnn(C)c1 ZINC000766960158 1079524778 /nfs/dbraw/zinc/52/47/78/1079524778.db2.gz JTOKXXKCESVULM-DOTOQJQBSA-N 1 2 420.535 2.493 20 0 HEADLO CCOC(=O)c1cc(C)sc1NC(=O)C[N@H+]1CCC[C@H]1C[C@@H](O)c1cnn(C)c1 ZINC000766960158 1079524788 /nfs/dbraw/zinc/52/47/88/1079524788.db2.gz JTOKXXKCESVULM-DOTOQJQBSA-N 1 2 420.535 2.493 20 0 HEADLO Cn1cc([C@@H](O)C[C@@H]2CCC[N@@H+]2Cc2nnnn2-c2ccc(OC(F)F)cc2)cn1 ZINC000766949270 1079542207 /nfs/dbraw/zinc/54/22/07/1079542207.db2.gz YUTRGEDIEKRCDR-RDJZCZTQSA-N 1 2 419.436 2.085 20 0 HEADLO Cn1cc([C@@H](O)C[C@@H]2CCC[N@H+]2Cc2nnnn2-c2ccc(OC(F)F)cc2)cn1 ZINC000766949270 1079542234 /nfs/dbraw/zinc/54/22/34/1079542234.db2.gz YUTRGEDIEKRCDR-RDJZCZTQSA-N 1 2 419.436 2.085 20 0 HEADLO O=C(CNS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)OCCn1cc[nH+]c1 ZINC000771891144 1079578776 /nfs/dbraw/zinc/57/87/76/1079578776.db2.gz YTCUOTPBFMFIOS-UHFFFAOYSA-N 1 2 411.789 2.077 20 0 HEADLO C[NH+](C)[C@H](CNS(=O)(=O)C1CCN(C(=O)OC(C)(C)C)CC1)c1ccco1 ZINC000767080609 1079650592 /nfs/dbraw/zinc/65/05/92/1079650592.db2.gz MVIIVRLUPVRWJE-OAHLLOKOSA-N 1 2 401.529 2.201 20 0 HEADLO C[N@H+](CC(=O)OCC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2)[C@@H]1CCSC1 ZINC000772045992 1079667712 /nfs/dbraw/zinc/66/77/12/1079667712.db2.gz FGGXVORRFKDIMJ-IAGOWNOFSA-N 1 2 420.531 2.102 20 0 HEADLO C[N@@H+](CC(=O)OCC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2)[C@@H]1CCSC1 ZINC000772045992 1079667717 /nfs/dbraw/zinc/66/77/17/1079667717.db2.gz FGGXVORRFKDIMJ-IAGOWNOFSA-N 1 2 420.531 2.102 20 0 HEADLO COc1cccc(OCC[NH+]2CCN(C(=O)NC[C@H](C)CC3(C)OCCO3)CC2)c1 ZINC000767095885 1079674504 /nfs/dbraw/zinc/67/45/04/1079674504.db2.gz NDWPQXKDSQOYCK-GOSISDBHSA-N 1 2 421.538 2.190 20 0 HEADLO CC(=O)OC1CCN(c2cc(C)nc([C@H](C)[NH+]3CCC(OC(C)=O)CC3)n2)CC1 ZINC000767117639 1079685147 /nfs/dbraw/zinc/68/51/47/1079685147.db2.gz HHCBBTGDTSWVPA-HNNXBMFYSA-N 1 2 404.511 2.405 20 0 HEADLO C[C@@H]1C[N@@H+]([C@H]2C[C@@H](C(=O)N3CCSC3)N(C(=O)OC(C)(C)C)C2)CCCC1=O ZINC001170038524 1079724982 /nfs/dbraw/zinc/72/49/82/1079724982.db2.gz LUWNDMXCWHENEG-PMPSAXMXSA-N 1 2 411.568 2.198 20 0 HEADLO C[C@@H]1C[N@H+]([C@H]2C[C@@H](C(=O)N3CCSC3)N(C(=O)OC(C)(C)C)C2)CCCC1=O ZINC001170038524 1079725001 /nfs/dbraw/zinc/72/50/01/1079725001.db2.gz LUWNDMXCWHENEG-PMPSAXMXSA-N 1 2 411.568 2.198 20 0 HEADLO CCOc1cc(NC2CC[NH+]([C@@H]3CC(=O)N(c4ccc(C)cc4)C3=O)CC2)ncn1 ZINC000767361728 1079829187 /nfs/dbraw/zinc/82/91/87/1079829187.db2.gz PVZJLWATRGUNJN-GOSISDBHSA-N 1 2 409.490 2.392 20 0 HEADLO CN(C)c1cc(COC(=O)CN2C(=O)N[C@](C)(CCc3ccccc3)C2=O)cc[nH+]1 ZINC000767438830 1079863925 /nfs/dbraw/zinc/86/39/25/1079863925.db2.gz MGMHLNXCHQXZKW-JOCHJYFZSA-N 1 2 410.474 2.134 20 0 HEADLO O=C(CCNC(=O)NC12CC3CC(CC(C3)C1)C2)OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000767447520 1079875079 /nfs/dbraw/zinc/87/50/79/1079875079.db2.gz CNFYCCYZPYAYAU-CAZKFNJPSA-N 1 2 405.539 2.051 20 0 HEADLO O=C(CCNC(=O)NC12CC3CC(CC(C3)C1)C2)OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000767447520 1079875085 /nfs/dbraw/zinc/87/50/85/1079875085.db2.gz CNFYCCYZPYAYAU-CAZKFNJPSA-N 1 2 405.539 2.051 20 0 HEADLO CN(Cc1ccccc1)C(=O)N1CCC(C(=O)OCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000767531638 1079925424 /nfs/dbraw/zinc/92/54/24/1079925424.db2.gz IMQCSJOPAJMEQJ-OYRHEFFESA-N 1 2 415.534 2.357 20 0 HEADLO CN(Cc1ccccc1)C(=O)N1CCC(C(=O)OCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000767531638 1079925434 /nfs/dbraw/zinc/92/54/34/1079925434.db2.gz IMQCSJOPAJMEQJ-OYRHEFFESA-N 1 2 415.534 2.357 20 0 HEADLO COc1cc(C)c(C[NH+]2CCN(C(=O)COC(=O)[C@@H]3C[C@H]3C(C)C)CC2)cc1OC ZINC000772504422 1079930699 /nfs/dbraw/zinc/93/06/99/1079930699.db2.gz YFJNBTGBBSFDJU-RBUKOAKNSA-N 1 2 418.534 2.492 20 0 HEADLO O=C(c1ccccc1)c1ccccc1S(=O)(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000772571525 1079974137 /nfs/dbraw/zinc/97/41/37/1079974137.db2.gz HNHKRTJUXFEOGQ-QZTJIDSGSA-N 1 2 400.500 2.059 20 0 HEADLO O=C(c1ccccc1)c1ccccc1S(=O)(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000772571525 1079974140 /nfs/dbraw/zinc/97/41/40/1079974140.db2.gz HNHKRTJUXFEOGQ-QZTJIDSGSA-N 1 2 400.500 2.059 20 0 HEADLO COc1cc(S(=O)(=O)NC[C@@H](C)[NH+]2CCN(c3ccccc3)CC2)cnc1Cl ZINC000767695984 1080028006 /nfs/dbraw/zinc/02/80/06/1080028006.db2.gz CUCLLGLVEMKTBP-OAHLLOKOSA-N 1 2 424.954 2.233 20 0 HEADLO O=C(C[C@H]1CSCCS1)OCC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000767698676 1080029236 /nfs/dbraw/zinc/02/92/36/1080029236.db2.gz KDIWIPOVCHRTKJ-HNNXBMFYSA-N 1 2 400.591 2.174 20 0 HEADLO CC1(c2ccc(S(=O)(=O)N3CC[NH+](CCc4ccccc4)CC3)cc2)OCCO1 ZINC000767677102 1080033831 /nfs/dbraw/zinc/03/38/31/1080033831.db2.gz XOPIMQLNPVRRFX-UHFFFAOYSA-N 1 2 416.543 2.455 20 0 HEADLO C[C@@H](C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)c1ccccc1C(F)(F)F ZINC000742073026 1080040780 /nfs/dbraw/zinc/04/07/80/1080040780.db2.gz QJBFZYJAYMBSSN-CYBMUJFWSA-N 1 2 406.470 2.434 20 0 HEADLO C[C@H]1CCCC[C@@H]1N(C)C(=O)C[NH+]1CCN(c2ccc(NS(C)(=O)=O)cc2)CC1 ZINC000767749154 1080066565 /nfs/dbraw/zinc/06/65/65/1080066565.db2.gz IDDXEOMBIWLIPR-PXNSSMCTSA-N 1 2 422.595 2.217 20 0 HEADLO CC(=O)Nc1cccc(C(=O)N2CC[N@@H+](C)C[C@@H]2CNC(=O)OC(C)(C)C)c1C ZINC000785603511 1080074589 /nfs/dbraw/zinc/07/45/89/1080074589.db2.gz ZZAMACOBFQXEOB-INIZCTEOSA-N 1 2 404.511 2.234 20 0 HEADLO CC(=O)Nc1cccc(C(=O)N2CC[N@H+](C)C[C@@H]2CNC(=O)OC(C)(C)C)c1C ZINC000785603511 1080074598 /nfs/dbraw/zinc/07/45/98/1080074598.db2.gz ZZAMACOBFQXEOB-INIZCTEOSA-N 1 2 404.511 2.234 20 0 HEADLO CSC[C@H]1CCC[N@@H+]1Cn1nc(N2CCOCC2)n(C[C@@H]2CCCO2)c1=S ZINC000767771153 1080079114 /nfs/dbraw/zinc/07/91/14/1080079114.db2.gz OYJDJVRYNIQMDU-CVEARBPZSA-N 1 2 413.613 2.215 20 0 HEADLO CSC[C@H]1CCC[N@H+]1Cn1nc(N2CCOCC2)n(C[C@@H]2CCCO2)c1=S ZINC000767771153 1080079123 /nfs/dbraw/zinc/07/91/23/1080079123.db2.gz OYJDJVRYNIQMDU-CVEARBPZSA-N 1 2 413.613 2.215 20 0 HEADLO CCOC1CC(CNC(=O)N[C@H](C)COc2ccc(C)cc2)([NH+]2CCOCC2)C1 ZINC000767781587 1080089486 /nfs/dbraw/zinc/08/94/86/1080089486.db2.gz PJPMFSPLTBAMMV-HOHBBMLPSA-N 1 2 405.539 2.331 20 0 HEADLO O=C(OCc1cc(Cl)nc2ccccc12)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000785654190 1080110778 /nfs/dbraw/zinc/11/07/78/1080110778.db2.gz RVGNSIXYCGBEGD-HNNXBMFYSA-N 1 2 417.893 2.112 20 0 HEADLO COc1cc(S(=O)(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)cnc1Cl ZINC000767810690 1080115553 /nfs/dbraw/zinc/11/55/53/1080115553.db2.gz KFKYZIIYKZQGIE-UHFFFAOYSA-N 1 2 417.959 2.305 20 0 HEADLO Cc1ccc2c(c1)c(=O)n(C)c1nnc(C[NH+]3CCC(O)(c4ccccc4)CC3)n12 ZINC000767854279 1080175366 /nfs/dbraw/zinc/17/53/66/1080175366.db2.gz AEVJMMFJDVFFJK-UHFFFAOYSA-N 1 2 403.486 2.373 20 0 HEADLO O=C(OCc1ccc(Cl)cc1Cl)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000785660365 1080180927 /nfs/dbraw/zinc/18/09/27/1080180927.db2.gz QBBAZIZKKSEOGD-AWEZNQCLSA-N 1 2 401.290 2.217 20 0 HEADLO CC(C)(C)OC(=O)N1C[C@H]([N@@H+]2CCCCC23COC3)C[C@H]1C(=O)N1CCSC1 ZINC001170049229 1080187189 /nfs/dbraw/zinc/18/71/89/1080187189.db2.gz YQMZSVOSAZFBMN-CVEARBPZSA-N 1 2 411.568 2.152 20 0 HEADLO CC(C)(C)OC(=O)N1C[C@H]([N@H+]2CCCCC23COC3)C[C@H]1C(=O)N1CCSC1 ZINC001170049229 1080187200 /nfs/dbraw/zinc/18/72/00/1080187200.db2.gz YQMZSVOSAZFBMN-CVEARBPZSA-N 1 2 411.568 2.152 20 0 HEADLO C[C@@](O)(C1CC[NH+](CC(=O)Nc2ccc(N3CCOCC3)cc2)CC1)C(F)(F)F ZINC000767902865 1080222384 /nfs/dbraw/zinc/22/23/84/1080222384.db2.gz LTKBACLPMFONBB-LJQANCHMSA-N 1 2 415.456 2.487 20 0 HEADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)Nc2ccnc(-c3ccccc3)c2)CC1 ZINC000767929889 1080228449 /nfs/dbraw/zinc/22/84/49/1080228449.db2.gz RJKUKQYGVCRVCL-UHFFFAOYSA-N 1 2 402.520 2.379 20 0 HEADLO CN(C)C(=O)c1cc(F)ccc1NC(=O)C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000767982338 1080247479 /nfs/dbraw/zinc/24/74/79/1080247479.db2.gz LKYPGWCHXRZEFD-UHFFFAOYSA-N 1 2 423.448 2.027 20 0 HEADLO CC(C)(C)OC(=O)N[C@@](C)(C(=O)N1CC[NH+]([C@H]2CCOC2)CC1)c1ccccc1 ZINC000768029842 1080293991 /nfs/dbraw/zinc/29/39/91/1080293991.db2.gz DMPMOLGNGOTINC-PGRDOPGGSA-N 1 2 403.523 2.360 20 0 HEADLO CCOC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)C1 ZINC000768147527 1080354643 /nfs/dbraw/zinc/35/46/43/1080354643.db2.gz FWNVFBHKPGCYDM-VQIMIIECSA-N 1 2 409.490 2.324 20 0 HEADLO O=C(COC(=O)c1cc2occc2[nH]1)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000786032794 1080380498 /nfs/dbraw/zinc/38/04/98/1080380498.db2.gz WLWADMJTNAVFCH-UHFFFAOYSA-N 1 2 409.442 2.197 20 0 HEADLO CN(C)c1ccc([NH+]2CCC(NC(=O)Cc3ccccc3S(C)(=O)=O)CC2)cc1 ZINC000786238460 1080514701 /nfs/dbraw/zinc/51/47/01/1080514701.db2.gz IDZCGMCOPNQWFL-UHFFFAOYSA-N 1 2 415.559 2.484 20 0 HEADLO COC(=O)CCc1cccc(NC(=O)C(=O)NCc2cc[nH+]c(N3CCCC3)c2)c1 ZINC000786269311 1080519208 /nfs/dbraw/zinc/51/92/08/1080519208.db2.gz UJEHKFYGDUKICF-UHFFFAOYSA-N 1 2 410.474 2.042 20 0 HEADLO COc1cc(C)c(C[NH+]2CCN(C(=O)COc3cc(C)c(C)nn3)CC2)cc1OC ZINC000768377266 1080533650 /nfs/dbraw/zinc/53/36/50/1080533650.db2.gz LZRROZFISOUDSK-UHFFFAOYSA-N 1 2 414.506 2.142 20 0 HEADLO C[C@@H](OC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)C(=O)NCC(=O)c1ccccc1 ZINC000786304860 1080546624 /nfs/dbraw/zinc/54/66/24/1080546624.db2.gz ZWFBCZOPSRSZCU-WIYYLYMNSA-N 1 2 424.497 2.208 20 0 HEADLO C[C@@H](OC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)C(=O)NCC(=O)c1ccccc1 ZINC000786304860 1080546628 /nfs/dbraw/zinc/54/66/28/1080546628.db2.gz ZWFBCZOPSRSZCU-WIYYLYMNSA-N 1 2 424.497 2.208 20 0 HEADLO O=C(C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[C@H]1c1ccncc1)C2)NCc1ccccc1 ZINC001109303980 1080587427 /nfs/dbraw/zinc/58/74/27/1080587427.db2.gz DGBHUENASNLSME-TWGBQZSLSA-N 1 2 404.514 2.223 20 0 HEADLO O=C(C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[C@H]1c1ccncc1)C2)NCc1ccccc1 ZINC001109303980 1080587433 /nfs/dbraw/zinc/58/74/33/1080587433.db2.gz DGBHUENASNLSME-TWGBQZSLSA-N 1 2 404.514 2.223 20 0 HEADLO CC1(C)CCC[C@]2(C1)NC(=O)N(CC(=O)NCc1ccc(-n3cc[nH+]c3)cc1)C2=O ZINC000768563178 1080630767 /nfs/dbraw/zinc/63/07/67/1080630767.db2.gz ZSCFCMMZWFCXFJ-JOCHJYFZSA-N 1 2 409.490 2.379 20 0 HEADLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)C(=O)N[C@@H]1CC[C@@H]2SCCS[C@H]12 ZINC000786467789 1080646635 /nfs/dbraw/zinc/64/66/35/1080646635.db2.gz PKMILCRFBWUIMR-SOLBZPMBSA-N 1 2 420.604 2.184 20 0 HEADLO O=C(NCc1ccc(Cl)nc1)C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000786615498 1080711916 /nfs/dbraw/zinc/71/19/16/1080711916.db2.gz YFPFJQGSNLWSSL-HNNXBMFYSA-N 1 2 401.898 2.290 20 0 HEADLO CN(CC[N@H+](C)Cc1ccc(S(=O)(=O)N2CCCC2)o1)C(=O)OC(C)(C)C ZINC000768757067 1080775776 /nfs/dbraw/zinc/77/57/76/1080775776.db2.gz GFCLAHFSHBUPPH-UHFFFAOYSA-N 1 2 401.529 2.363 20 0 HEADLO CN(CC[N@@H+](C)Cc1ccc(S(=O)(=O)N2CCCC2)o1)C(=O)OC(C)(C)C ZINC000768757067 1080775783 /nfs/dbraw/zinc/77/57/83/1080775783.db2.gz GFCLAHFSHBUPPH-UHFFFAOYSA-N 1 2 401.529 2.363 20 0 HEADLO CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)C[NH+]2CCC(c3cccnc3)CC2)C1=O ZINC000768758800 1080777396 /nfs/dbraw/zinc/77/73/96/1080777396.db2.gz RRQSMKGCFOGXLE-QHCPKHFHSA-N 1 2 421.501 2.150 20 0 HEADLO COC(=O)[C@@H]1CCN(c2nc(N3CC[C@H](C(=O)OC)[C@@H]3C)c(C3CC3)c[nH+]2)[C@@H]1C ZINC000786811801 1080839424 /nfs/dbraw/zinc/83/94/24/1080839424.db2.gz DRHSNBXWXGTUAQ-LQKXBSAESA-N 1 2 402.495 2.130 20 0 HEADLO CC[NH+](CC)Cc1csc(NC(=O)c2cccc([C@]3(C)NC(=O)NC3=O)c2)n1 ZINC000768974874 1080871316 /nfs/dbraw/zinc/87/13/16/1080871316.db2.gz XFJHVBNNQOEDNE-IBGZPJMESA-N 1 2 401.492 2.292 20 0 HEADLO Cc1ccc(NC(=O)CNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)c(N(C)C)[nH+]1 ZINC000769033729 1080890806 /nfs/dbraw/zinc/89/08/06/1080890806.db2.gz MYUOOPLLTDDZHY-INIZCTEOSA-N 1 2 407.515 2.060 20 0 HEADLO Cc1cccc(C)c1OCCCOC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000786998407 1080909282 /nfs/dbraw/zinc/90/92/82/1080909282.db2.gz KQWQUWQOZHQJIP-FQEVSTJZSA-N 1 2 418.534 2.329 20 0 HEADLO Cc1cccc(C)c1OCCCOC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000786998410 1080909314 /nfs/dbraw/zinc/90/93/14/1080909314.db2.gz KQWQUWQOZHQJIP-HXUWFJFHSA-N 1 2 418.534 2.329 20 0 HEADLO O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)OC[C@H]1CCc2ccccc2C1 ZINC000787000144 1080912790 /nfs/dbraw/zinc/91/27/90/1080912790.db2.gz VVAQORUNQKMXMM-GHTZIAJQSA-N 1 2 400.519 2.048 20 0 HEADLO COc1cc(N[C@H]2CCCN(C(=O)NCC[N@@H+]3CCO[C@@H](C)C3)C2)cc(OC)c1 ZINC000769086841 1080934450 /nfs/dbraw/zinc/93/44/50/1080934450.db2.gz QSOZLNKYBWMKBG-IRXDYDNUSA-N 1 2 406.527 2.010 20 0 HEADLO COc1cc(N[C@H]2CCCN(C(=O)NCC[N@H+]3CCO[C@@H](C)C3)C2)cc(OC)c1 ZINC000769086841 1080934463 /nfs/dbraw/zinc/93/44/63/1080934463.db2.gz QSOZLNKYBWMKBG-IRXDYDNUSA-N 1 2 406.527 2.010 20 0 HEADLO CC(C)(C)OC(=O)NC1CC[NH+](CC(=O)Nc2cccnc2-n2cccn2)CC1 ZINC000769110741 1080937460 /nfs/dbraw/zinc/93/74/60/1080937460.db2.gz WHVZFXADYBZEJE-UHFFFAOYSA-N 1 2 400.483 2.195 20 0 HEADLO C[C@@H]1C[C@H](C)CN(C(=O)CN2CC[NH+]([C@@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)C1 ZINC000769284166 1081031334 /nfs/dbraw/zinc/03/13/34/1081031334.db2.gz HKBAINWMCBQZMC-CEXWTWQISA-N 1 2 408.587 2.118 20 0 HEADLO COc1ccccc1CC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000769300040 1081033999 /nfs/dbraw/zinc/03/39/99/1081033999.db2.gz VHFSFRPKJFRNNP-GOSISDBHSA-N 1 2 403.523 2.391 20 0 HEADLO CC(C)(C)OC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)CN3CCc4ccccc43)CC2)C1 ZINC000769299536 1081034696 /nfs/dbraw/zinc/03/46/96/1081034696.db2.gz QXIRBNXCKREODN-LJQANCHMSA-N 1 2 414.550 2.203 20 0 HEADLO CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCN([C@H]3CCN(c4ccccc4)C3=O)CC2)C1 ZINC000769405720 1081064447 /nfs/dbraw/zinc/06/44/47/1081064447.db2.gz YRWBUVWVAQSBPB-PMACEKPBSA-N 1 2 414.550 2.419 20 0 HEADLO CCCOc1ccc(CNC(=O)C(=O)NCc2[nH+]cc(C)c(OC)c2C)cc1OC ZINC000787240135 1081065652 /nfs/dbraw/zinc/06/56/52/1081065652.db2.gz POAXGTXLKGTOPD-UHFFFAOYSA-N 1 2 415.490 2.437 20 0 HEADLO COC(=O)[C@@H]1CC[N@H+](Cn2c3cc(S(=O)(=O)N(C)C)ccc3oc2=S)[C@@H]1C ZINC000787240808 1081086667 /nfs/dbraw/zinc/08/66/67/1081086667.db2.gz REJOURHWLJIAGQ-DGCLKSJQSA-N 1 2 413.521 2.055 20 0 HEADLO COC(=O)[C@@H]1CC[N@@H+](Cn2c3cc(S(=O)(=O)N(C)C)ccc3oc2=S)[C@@H]1C ZINC000787240808 1081086677 /nfs/dbraw/zinc/08/66/77/1081086677.db2.gz REJOURHWLJIAGQ-DGCLKSJQSA-N 1 2 413.521 2.055 20 0 HEADLO CCOC1CC(CNC(=O)c2c[nH]c(=S)n2-c2ccccc2)([NH+]2CCOCC2)C1 ZINC000769463316 1081088141 /nfs/dbraw/zinc/08/81/41/1081088141.db2.gz SHUGKEIMBILJLQ-UHFFFAOYSA-N 1 2 416.547 2.161 20 0 HEADLO COC(=O)c1cccc(NC(=O)C[N@@H+]2CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)C2)n1 ZINC000787265457 1081099478 /nfs/dbraw/zinc/09/94/78/1081099478.db2.gz VZTYQWKICUMZRA-KGLIPLIRSA-N 1 2 406.483 2.042 20 0 HEADLO COC(=O)c1cccc(NC(=O)C[N@H+]2CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)C2)n1 ZINC000787265457 1081099482 /nfs/dbraw/zinc/09/94/82/1081099482.db2.gz VZTYQWKICUMZRA-KGLIPLIRSA-N 1 2 406.483 2.042 20 0 HEADLO COCCN1CC[N@H+](C)C2(CCN(c3ncc4cc(Cl)ccc4n3)CC2)C1=O ZINC001164639883 719275682 /nfs/dbraw/zinc/27/56/82/719275682.db2.gz KTNZUMXBGHCOMZ-UHFFFAOYSA-N 1 2 403.914 2.043 20 0 HEADLO COCCN1CC[N@@H+](C)C2(CCN(c3ncc4cc(Cl)ccc4n3)CC2)C1=O ZINC001164639883 719275684 /nfs/dbraw/zinc/27/56/84/719275684.db2.gz KTNZUMXBGHCOMZ-UHFFFAOYSA-N 1 2 403.914 2.043 20 0 HEADLO CCc1nc(Cl)nc(Cl)c1N1CCC2(CC1)C(=O)N(CCOC)CC[N@H+]2C ZINC001164644953 719284625 /nfs/dbraw/zinc/28/46/25/719284625.db2.gz XPNQQIYCAINNTF-UHFFFAOYSA-N 1 2 416.353 2.105 20 0 HEADLO CCc1nc(Cl)nc(Cl)c1N1CCC2(CC1)C(=O)N(CCOC)CC[N@@H+]2C ZINC001164644953 719284630 /nfs/dbraw/zinc/28/46/30/719284630.db2.gz XPNQQIYCAINNTF-UHFFFAOYSA-N 1 2 416.353 2.105 20 0 HEADLO NC(=O)c1nc(Cl)cnc1N1CCC2(CC1)COCC[N@@H+]2Cc1ccc(F)cc1 ZINC001164673364 719513298 /nfs/dbraw/zinc/51/32/98/719513298.db2.gz QEAMZSHCIFZHOU-UHFFFAOYSA-N 1 2 419.888 2.239 20 0 HEADLO NC(=O)c1nc(Cl)cnc1N1CCC2(CC1)COCC[N@H+]2Cc1ccc(F)cc1 ZINC001164673364 719513302 /nfs/dbraw/zinc/51/33/02/719513302.db2.gz QEAMZSHCIFZHOU-UHFFFAOYSA-N 1 2 419.888 2.239 20 0 HEADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(Cl)nc2c1CCCC2 ZINC001164705790 719845286 /nfs/dbraw/zinc/84/52/86/719845286.db2.gz VRTIVTDHLOXPAP-VLIAUNLRSA-N 1 2 408.930 2.242 20 0 HEADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nnc(Cl)c2c1CCCC2 ZINC001164701501 719851738 /nfs/dbraw/zinc/85/17/38/719851738.db2.gz KSDKIFJCHKMADH-JLTOFOAXSA-N 1 2 408.930 2.242 20 0 HEADLO CCOC(=O)c1c(C)cc(N2CC[C@H]([NH+]3CCOCC3)C[C@@]2(C)C(=O)OC)nc1C ZINC001164704677 719858807 /nfs/dbraw/zinc/85/88/07/719858807.db2.gz SHNDOLJVUJIVBI-JTSKRJEESA-N 1 2 419.522 2.108 20 0 HEADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cncc(N2CCCCCC2)n1 ZINC001164699097 719874082 /nfs/dbraw/zinc/87/40/82/719874082.db2.gz ADKCDVBBDDJGHO-PGRDOPGGSA-N 1 2 417.554 2.090 20 0 HEADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3nc(Cl)ccc3F)C2)C1 ZINC001164720258 720247196 /nfs/dbraw/zinc/24/71/96/720247196.db2.gz SXNKUBZPODUFHV-KRWDZBQOSA-N 1 2 420.863 2.084 20 0 HEADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3nc(Cl)ccc3F)C2)C1 ZINC001164720258 720247208 /nfs/dbraw/zinc/24/72/08/720247208.db2.gz SXNKUBZPODUFHV-KRWDZBQOSA-N 1 2 420.863 2.084 20 0 HEADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nc(C)cc(C)n4)CC3)C2=O)cs1 ZINC001164823192 720358969 /nfs/dbraw/zinc/35/89/69/720358969.db2.gz BPSCCSPDFGKGIP-UHFFFAOYSA-N 1 2 400.552 2.172 20 0 HEADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nc(C)cc(C)n4)CC3)C2=O)cs1 ZINC001164823192 720358979 /nfs/dbraw/zinc/35/89/79/720358979.db2.gz BPSCCSPDFGKGIP-UHFFFAOYSA-N 1 2 400.552 2.172 20 0 HEADLO Cc1nc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)nc2ccccc12 ZINC001164822777 720446703 /nfs/dbraw/zinc/44/67/03/720446703.db2.gz HSRQHYZWEIOLCW-GOSISDBHSA-N 1 2 422.533 2.124 20 0 HEADLO CN1CCc2nc(Cl)nc(N3CCC4(CC3)CN(c3cccc[nH+]3)CCO4)c2C1 ZINC001164872933 721221698 /nfs/dbraw/zinc/22/16/98/721221698.db2.gz PDOTXDILZYLBEQ-UHFFFAOYSA-N 1 2 414.941 2.389 20 0 HEADLO Cn1ccnc1C(=O)NCc1c[nH+]c2n1CCN([C@H](F)c1ccnc(Cl)c1)CC2 ZINC001165015162 721766025 /nfs/dbraw/zinc/76/60/25/721766025.db2.gz MYKFJFLWLCTNOY-KRWDZBQOSA-N 1 2 417.876 2.121 20 0 HEADLO CSc1nc(Cl)cc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164912743 721768376 /nfs/dbraw/zinc/76/83/76/721768376.db2.gz PEHOUXRRJLOVHY-LJQANCHMSA-N 1 2 421.954 2.355 20 0 HEADLO CSc1nc(Cl)cc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164912743 721768379 /nfs/dbraw/zinc/76/83/79/721768379.db2.gz PEHOUXRRJLOVHY-LJQANCHMSA-N 1 2 421.954 2.355 20 0 HEADLO Clc1nc2c(c(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)n1)CCC2 ZINC001164913278 721771705 /nfs/dbraw/zinc/77/17/05/721771705.db2.gz VNBWHCWOAISWFM-NRFANRHFSA-N 1 2 415.925 2.122 20 0 HEADLO Clc1nc2c(c(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)n1)CCC2 ZINC001164913278 721771707 /nfs/dbraw/zinc/77/17/07/721771707.db2.gz VNBWHCWOAISWFM-NRFANRHFSA-N 1 2 415.925 2.122 20 0 HEADLO F[C@H](Oc1ccnc(Cl)c1)N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164910390 721775860 /nfs/dbraw/zinc/77/58/60/721775860.db2.gz BMRAJJUFSRFSSE-PMACEKPBSA-N 1 2 422.888 2.365 20 0 HEADLO F[C@H](Oc1ccnc(Cl)c1)N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164910390 721775864 /nfs/dbraw/zinc/77/58/64/721775864.db2.gz BMRAJJUFSRFSSE-PMACEKPBSA-N 1 2 422.888 2.365 20 0 HEADLO COc1ccc2nc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)ncc2c1 ZINC001164915992 721784838 /nfs/dbraw/zinc/78/48/38/721784838.db2.gz NBHXIOMPDSZEOR-HSZRJFAPSA-N 1 2 421.501 2.141 20 0 HEADLO COc1ccc2nc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)ncc2c1 ZINC001164915992 721784842 /nfs/dbraw/zinc/78/48/42/721784842.db2.gz NBHXIOMPDSZEOR-HSZRJFAPSA-N 1 2 421.501 2.141 20 0 HEADLO CSc1ncc(Cl)nc1N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164917016 721792271 /nfs/dbraw/zinc/79/22/71/721792271.db2.gz VQUWOBBKXQVVMV-IBGZPJMESA-N 1 2 421.954 2.355 20 0 HEADLO CSc1ncc(Cl)nc1N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164917016 721792272 /nfs/dbraw/zinc/79/22/72/721792272.db2.gz VQUWOBBKXQVVMV-IBGZPJMESA-N 1 2 421.954 2.355 20 0 HEADLO c1cncc(C[N@@H+]2CCOC[C@@]3(CN(c4ccc(-c5ccncc5)nn4)CCO3)C2)c1 ZINC001164913762 721797221 /nfs/dbraw/zinc/79/72/21/721797221.db2.gz GWUPRORGBMHXMM-QHCPKHFHSA-N 1 2 418.501 2.041 20 0 HEADLO c1cncc(C[N@H+]2CCOC[C@@]3(CN(c4ccc(-c5ccncc5)nn4)CCO3)C2)c1 ZINC001164913762 721797223 /nfs/dbraw/zinc/79/72/23/721797223.db2.gz GWUPRORGBMHXMM-QHCPKHFHSA-N 1 2 418.501 2.041 20 0 HEADLO C[C@H]1CCc2nnc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)cc2C1 ZINC001164913974 721799131 /nfs/dbraw/zinc/79/91/31/721799131.db2.gz JIGSZKJHOBADPC-MBSDFSHPSA-N 1 2 409.534 2.104 20 0 HEADLO C[C@H]1CCc2nnc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)cc2C1 ZINC001164913974 721799133 /nfs/dbraw/zinc/79/91/33/721799133.db2.gz JIGSZKJHOBADPC-MBSDFSHPSA-N 1 2 409.534 2.104 20 0 HEADLO CCOC(=O)c1cnc(SC)nc1N1CCC2(CC1)c1[nH+]cc(C)n1CCN2C ZINC001164919501 721812175 /nfs/dbraw/zinc/81/21/75/721812175.db2.gz YTDFDWXLBPEMHE-UHFFFAOYSA-N 1 2 416.551 2.321 20 0 HEADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2nc(Cl)c(F)c3c2C(=O)NC3)CC1 ZINC001164917296 721816722 /nfs/dbraw/zinc/81/67/22/721816722.db2.gz KQWKPUDDIJYJCO-UHFFFAOYSA-N 1 2 404.877 2.064 20 0 HEADLO CCOC(=O)c1nc2ccn(C)c2c(N2CCC3(CC2)c2[nH+]cc(C)n2CCN3C)n1 ZINC001164918353 721818022 /nfs/dbraw/zinc/81/80/22/721818022.db2.gz PHYQGHDFWUMCFX-UHFFFAOYSA-N 1 2 423.521 2.091 20 0 HEADLO COc1cc(C)c[nH+]c1N1CCO[C@@]2(C1)COCCN(Cc1csc(C)n1)C2 ZINC001164920587 721830809 /nfs/dbraw/zinc/83/08/09/721830809.db2.gz FPGPYUMUQAMWRK-FQEVSTJZSA-N 1 2 404.536 2.271 20 0 HEADLO CCOC(=O)Cc1cccnc1N1CCC2(CC1)C(=O)NCC[N@H+]2Cc1ccccc1 ZINC001164945040 721970923 /nfs/dbraw/zinc/97/09/23/721970923.db2.gz NRGSXWZJUKQRNH-UHFFFAOYSA-N 1 2 422.529 2.158 20 0 HEADLO CCOC(=O)Cc1cccnc1N1CCC2(CC1)C(=O)NCC[N@@H+]2Cc1ccccc1 ZINC001164945040 721970924 /nfs/dbraw/zinc/97/09/24/721970924.db2.gz NRGSXWZJUKQRNH-UHFFFAOYSA-N 1 2 422.529 2.158 20 0 HEADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)c1nccn2c(Br)cnc12 ZINC000769646837 1078482687 /nfs/dbraw/zinc/48/26/87/1078482687.db2.gz HFXWLHYNAAVIID-UHFFFAOYSA-N 1 2 401.268 2.417 20 0 HEADLO CN(CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1)Cc1nncn1-c1ccccc1 ZINC000769729555 1078518503 /nfs/dbraw/zinc/51/85/03/1078518503.db2.gz QXGKJDSRVUYTDP-UHFFFAOYSA-N 1 2 400.527 2.252 20 0 HEADLO O=C(CCS(=O)(=O)NCc1cc[nH+]c(N2CCCC2)c1)OCc1ccccc1 ZINC000769757901 1078543075 /nfs/dbraw/zinc/54/30/75/1078543075.db2.gz JVDUMMWNJHEYEG-UHFFFAOYSA-N 1 2 403.504 2.235 20 0 HEADLO CCOC(=O)[C@@H]1CCCN(C(=O)C[NH+]2CCC(O)(c3ccccc3Cl)CC2)C1 ZINC000769817539 1078575031 /nfs/dbraw/zinc/57/50/31/1078575031.db2.gz VZEJPOPJVPVPPR-MRXNPFEDSA-N 1 2 408.926 2.425 20 0 HEADLO C[C@@H]1CC[C@@H](CCC(=O)OCC(=O)NCc2ccccc2C[NH+]2CCOCC2)O1 ZINC000745710788 1078603544 /nfs/dbraw/zinc/60/35/44/1078603544.db2.gz FHPROKUBXCSITC-XLIONFOSSA-N 1 2 404.507 2.026 20 0 HEADLO O=C(C[N@H+]1CCC[C@@H]([C@@H](O)C(F)(F)F)C1)Nc1ccc(N2CCOCC2)cc1 ZINC000769895889 1078619174 /nfs/dbraw/zinc/61/91/74/1078619174.db2.gz DKECVSJVGKSFLA-RDTXWAMCSA-N 1 2 401.429 2.097 20 0 HEADLO O=C(C[N@@H+]1CCC[C@@H]([C@@H](O)C(F)(F)F)C1)Nc1ccc(N2CCOCC2)cc1 ZINC000769895889 1078619182 /nfs/dbraw/zinc/61/91/82/1078619182.db2.gz DKECVSJVGKSFLA-RDTXWAMCSA-N 1 2 401.429 2.097 20 0 HEADLO CCOC(=O)N1CCC(NC(=O)CN2CC[NH+]([C@@H](C)c3cccc(F)c3)CC2)CC1 ZINC000769919697 1078634149 /nfs/dbraw/zinc/63/41/49/1078634149.db2.gz XWKJSFURBIKRMJ-KRWDZBQOSA-N 1 2 420.529 2.241 20 0 HEADLO C[C@@H](NC(=O)N1CCC[C@H]1C[NH+]1CCOCC1)c1ccc(N2CCCC2=O)cc1 ZINC000745778949 1078639202 /nfs/dbraw/zinc/63/92/02/1078639202.db2.gz KEDXMRYBRHKDOT-XLIONFOSSA-N 1 2 400.523 2.381 20 0 HEADLO C[C@@H]1C[N@H+](CCNC(=O)N2C[C@@H](CC(=O)N(C)C)c3cc(Cl)ccc32)CCO1 ZINC000745792091 1078649589 /nfs/dbraw/zinc/64/95/89/1078649589.db2.gz OSWDRURJYOBZDQ-HUUCEWRRSA-N 1 2 408.930 2.152 20 0 HEADLO C[C@@H]1C[N@@H+](CCNC(=O)N2C[C@@H](CC(=O)N(C)C)c3cc(Cl)ccc32)CCO1 ZINC000745792091 1078649592 /nfs/dbraw/zinc/64/95/92/1078649592.db2.gz OSWDRURJYOBZDQ-HUUCEWRRSA-N 1 2 408.930 2.152 20 0 HEADLO CC(C)(C)NC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[C@@H]3CCCC[C@H]13)C2 ZINC001109545596 1078645309 /nfs/dbraw/zinc/64/53/09/1078645309.db2.gz CZAJAXVMLNVXEX-RFSXOUPVSA-N 1 2 404.555 2.159 20 0 HEADLO CC(C)(C)NC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[C@@H]3CCCC[C@H]13)C2 ZINC001109545596 1078645310 /nfs/dbraw/zinc/64/53/10/1078645310.db2.gz CZAJAXVMLNVXEX-RFSXOUPVSA-N 1 2 404.555 2.159 20 0 HEADLO Cc1ccc(C[N@@H+]2CCCN(C(=O)CN(CCS(C)(=O)=O)C(C)(C)C)CC2)cc1 ZINC000769944958 1078648117 /nfs/dbraw/zinc/64/81/17/1078648117.db2.gz XADFLIZGJQAAEY-UHFFFAOYSA-N 1 2 423.623 2.174 20 0 HEADLO Cc1ccc(C[N@H+]2CCCN(C(=O)CN(CCS(C)(=O)=O)C(C)(C)C)CC2)cc1 ZINC000769944958 1078648122 /nfs/dbraw/zinc/64/81/22/1078648122.db2.gz XADFLIZGJQAAEY-UHFFFAOYSA-N 1 2 423.623 2.174 20 0 HEADLO CC(C)(C)OC(=O)N1CC[C@H](CCNC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)C1 ZINC000745807971 1078655630 /nfs/dbraw/zinc/65/56/30/1078655630.db2.gz HZZABFFSRUTEIU-ROUUACIJSA-N 1 2 410.559 2.140 20 0 HEADLO CCNC(=O)c1cccc(NC(=O)C[N@H+](C)[C@H]2CCN(C(=O)OC(C)(C)C)C2)c1 ZINC000745991830 1078723522 /nfs/dbraw/zinc/72/35/22/1078723522.db2.gz UZGWNMHXHUAHPO-KRWDZBQOSA-N 1 2 404.511 2.316 20 0 HEADLO CCNC(=O)c1cccc(NC(=O)C[N@@H+](C)[C@H]2CCN(C(=O)OC(C)(C)C)C2)c1 ZINC000745991830 1078723532 /nfs/dbraw/zinc/72/35/32/1078723532.db2.gz UZGWNMHXHUAHPO-KRWDZBQOSA-N 1 2 404.511 2.316 20 0 HEADLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)Nc1cnn(Cc2nnc3n2CCCC3)c1 ZINC000770168571 1078764892 /nfs/dbraw/zinc/76/48/92/1078764892.db2.gz RRYAQSUYMHZRMS-INIZCTEOSA-N 1 2 411.514 2.292 20 0 HEADLO C[C@@H]1C[N@H+](CCNC(=O)N2CCC(CCN(C)C(=O)OC(C)(C)C)CC2)CCO1 ZINC000770268199 1078799972 /nfs/dbraw/zinc/79/99/72/1078799972.db2.gz FIOWKQCSTBJLKG-QGZVFWFLSA-N 1 2 412.575 2.386 20 0 HEADLO C[C@@H]1C[N@@H+](CCNC(=O)N2CCC(CCN(C)C(=O)OC(C)(C)C)CC2)CCO1 ZINC000770268199 1078799978 /nfs/dbraw/zinc/79/99/78/1078799978.db2.gz FIOWKQCSTBJLKG-QGZVFWFLSA-N 1 2 412.575 2.386 20 0 HEADLO COc1cc(OC)cc([C@H](O)CNC(=O)Nc2ccc(N3CCOCC3)[nH+]c2C)c1 ZINC000770273137 1078802265 /nfs/dbraw/zinc/80/22/65/1078802265.db2.gz AGYRFMLHQDNQMF-LJQANCHMSA-N 1 2 416.478 2.099 20 0 HEADLO CC[NH+](CC)[C@@H](C(=O)N1CCO[C@H](c2nn[nH]n2)C1)c1cccc(C(F)(F)F)c1 ZINC000746236347 1078828372 /nfs/dbraw/zinc/82/83/72/1078828372.db2.gz FZDPMQBJYJPZOL-LSDHHAIUSA-N 1 2 412.416 2.202 20 0 HEADLO CCN(c1ccc(NC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1)C(C)C ZINC000746308272 1078849614 /nfs/dbraw/zinc/84/96/14/1078849614.db2.gz XTKQKXFKIMAGDT-SFHVURJKSA-N 1 2 402.539 2.041 20 0 HEADLO Cc1ccc(S(=O)(=O)NCCC(=O)N2CCC([N@H+](C)CC(F)F)CC2)cc1C ZINC000746322563 1078858438 /nfs/dbraw/zinc/85/84/38/1078858438.db2.gz KZKNNNQRBBRDKS-UHFFFAOYSA-N 1 2 417.522 2.160 20 0 HEADLO Cc1ccc(S(=O)(=O)NCCC(=O)N2CCC([N@@H+](C)CC(F)F)CC2)cc1C ZINC000746322563 1078858441 /nfs/dbraw/zinc/85/84/41/1078858441.db2.gz KZKNNNQRBBRDKS-UHFFFAOYSA-N 1 2 417.522 2.160 20 0 HEADLO COCCOC(=O)c1c(C)[nH]c(C(=O)N2CCC([N@H+](C)CC(F)F)CC2)c1C ZINC000746325252 1078859784 /nfs/dbraw/zinc/85/97/84/1078859784.db2.gz VJKHRMOKUVUSJB-UHFFFAOYSA-N 1 2 401.454 2.236 20 0 HEADLO COCCOC(=O)c1c(C)[nH]c(C(=O)N2CCC([N@@H+](C)CC(F)F)CC2)c1C ZINC000746325252 1078859786 /nfs/dbraw/zinc/85/97/86/1078859786.db2.gz VJKHRMOKUVUSJB-UHFFFAOYSA-N 1 2 401.454 2.236 20 0 HEADLO Cc1nc(CNC(=O)[C@@H](C)[NH+]2CCN(c3ccc(F)cc3)CC2)ccc1[C@@H](C)O ZINC000770453570 1078860621 /nfs/dbraw/zinc/86/06/21/1078860621.db2.gz YLHUIARSBFAXOI-IAGOWNOFSA-N 1 2 400.498 2.409 20 0 HEADLO O=C(COC(=O)CCC(=O)c1ccccn1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000770482557 1078876630 /nfs/dbraw/zinc/87/66/30/1078876630.db2.gz CDXXQTPIOODBOP-UHFFFAOYSA-N 1 2 411.458 2.059 20 0 HEADLO CNS(=O)(=O)c1ccc(C)c(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)c1 ZINC000054255206 1078879932 /nfs/dbraw/zinc/87/99/32/1078879932.db2.gz DAUIXRCRMXLMIN-RMKNXTFCSA-N 1 2 413.543 2.374 20 0 HEADLO COc1ccc([C@H]2CCC[N@@H+]2CN2C(=O)C[C@H](Cc3cnn(C)c3)C2=O)c(OC)c1 ZINC000746373850 1078880474 /nfs/dbraw/zinc/88/04/74/1078880474.db2.gz BZMUVGAPQHWJTN-QFBILLFUSA-N 1 2 412.490 2.150 20 0 HEADLO COc1ccc([C@H]2CCC[N@H+]2CN2C(=O)C[C@H](Cc3cnn(C)c3)C2=O)c(OC)c1 ZINC000746373850 1078880476 /nfs/dbraw/zinc/88/04/76/1078880476.db2.gz BZMUVGAPQHWJTN-QFBILLFUSA-N 1 2 412.490 2.150 20 0 HEADLO CCOC(=O)N1CC[C@H](NC(=O)N2CC[NH+](Cc3ccc(OCC)cc3)CC2)C1 ZINC000770538211 1078889356 /nfs/dbraw/zinc/88/93/56/1078889356.db2.gz LGEKKLLAISNMAC-SFHVURJKSA-N 1 2 404.511 2.143 20 0 HEADLO C[C@H](NC(=O)N[C@@H](CNC(=O)OC(C)(C)C)C1CCCC1)[C@H](C)[NH+]1CCOCC1 ZINC000770544585 1078891718 /nfs/dbraw/zinc/89/17/18/1078891718.db2.gz JEPHSFXBJCELSA-BQFCYCMXSA-N 1 2 412.575 2.478 20 0 HEADLO O=C(COC[C@@H]1CCCO1)N1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000746391317 1078892802 /nfs/dbraw/zinc/89/28/02/1078892802.db2.gz BUAZZPVSPXAPPQ-KRWDZBQOSA-N 1 2 402.413 2.425 20 0 HEADLO O=C(NCc1ccccc1-n1cc[nH+]c1)C(=O)Nc1ccc(Br)nc1 ZINC000766373477 1078940385 /nfs/dbraw/zinc/94/03/85/1078940385.db2.gz BGSSXYMHIYRGEF-UHFFFAOYSA-N 1 2 400.236 2.285 20 0 HEADLO O=C(c1ccc(S[C@H]2CCOC2=O)cc1)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000770656585 1078942332 /nfs/dbraw/zinc/94/23/32/1078942332.db2.gz KUFVOOQFMNSXRY-HKUYNNGSSA-N 1 2 404.532 2.421 20 0 HEADLO Cn1[nH]c(C[N@@H+](Cc2ccccc2)C[C@@H](O)c2cccc(OC(F)F)c2)nc1=O ZINC000770713611 1078944184 /nfs/dbraw/zinc/94/41/84/1078944184.db2.gz YUICMAXIOFKYNJ-QGZVFWFLSA-N 1 2 404.417 2.446 20 0 HEADLO Cn1[nH]c(C[N@H+](Cc2ccccc2)C[C@@H](O)c2cccc(OC(F)F)c2)nc1=O ZINC000770713611 1078944190 /nfs/dbraw/zinc/94/41/90/1078944190.db2.gz YUICMAXIOFKYNJ-QGZVFWFLSA-N 1 2 404.417 2.446 20 0 HEADLO COC(=O)C1=C(C[NH2+][C@@H](CO)c2ccsc2)N(C)C(=O)N[C@@H]1c1ccccc1 ZINC000770690044 1078959637 /nfs/dbraw/zinc/95/96/37/1078959637.db2.gz VKUFPAUTOHYKAY-MAUKXSAKSA-N 1 2 401.488 2.195 20 0 HEADLO CS(=O)(=O)c1cc(S(=O)(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(Cl)s1 ZINC000770692430 1078960304 /nfs/dbraw/zinc/96/03/04/1078960304.db2.gz LBDZJDVFZWJCKL-SECBINFHSA-N 1 2 409.942 2.096 20 0 HEADLO Cc1nc(N2CCN(C(=O)[C@H]3CCN(C(=O)OCc4ccccc4)C3)CC2)cc[nH+]1 ZINC000770723473 1078949742 /nfs/dbraw/zinc/94/97/42/1078949742.db2.gz ZKMNWFNZQINMHX-IBGZPJMESA-N 1 2 409.490 2.092 20 0 HEADLO CS(=O)(=O)c1cc(S(=O)(=O)N2CCC(c3[nH]cc[nH+]3)CC2)c(Cl)s1 ZINC000770693815 1078962781 /nfs/dbraw/zinc/96/27/81/1078962781.db2.gz XFTICFXZMWHONC-UHFFFAOYSA-N 1 2 409.942 2.096 20 0 HEADLO CCS(=O)(=O)C1CCN(C(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)CC1 ZINC000770695771 1078964844 /nfs/dbraw/zinc/96/48/44/1078964844.db2.gz SXGKAASEDXIHDX-UHFFFAOYSA-N 1 2 422.595 2.330 20 0 HEADLO Cc1ccc(-c2csc(NC(=O)CN3CC[NH+](CC[S@](C)=O)CC3)n2)cc1C ZINC000746470426 1079021039 /nfs/dbraw/zinc/02/10/39/1079021039.db2.gz WQDXJTXUBWZJMN-NDEPHWFRSA-N 1 2 420.604 2.362 20 0 HEADLO COC(=O)c1ccc(-c2nc(CN3CC[NH+](CC[S@@](C)=O)CC3)cs2)cc1 ZINC000746466287 1079024721 /nfs/dbraw/zinc/02/47/21/1079024721.db2.gz CPPBSSGHKVWWGC-HHHXNRCGSA-N 1 2 407.561 2.093 20 0 HEADLO Cc1ccc(-c2csc(NC(=O)[C@@H](C)N3CC[NH+](CC[S@](C)=O)CC3)n2)cc1 ZINC000746473799 1079028399 /nfs/dbraw/zinc/02/83/99/1079028399.db2.gz KMUQVLCJLKFHRI-HJWYETAXSA-N 1 2 420.604 2.442 20 0 HEADLO CCOC(=O)[C@H]([NH2+][C@@H]1CCN(Cc2ccc(OC)cc2)C(=O)C1)C1CCOCC1 ZINC001168906121 1079071707 /nfs/dbraw/zinc/07/17/07/1079071707.db2.gz UYSNNPNIGCKODI-WIYYLYMNSA-N 1 2 404.507 2.134 20 0 HEADLO COC(=O)c1scc(C)c1NC(=O)[C@H](C)N1CC[NH+](Cc2ccncc2)CC1 ZINC001168924835 1079077151 /nfs/dbraw/zinc/07/71/51/1079077151.db2.gz HXOAZTDRKGEAII-HNNXBMFYSA-N 1 2 402.520 2.383 20 0 HEADLO O=C(OCc1cccc2[nH+]ccn21)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 ZINC000770922943 1079082232 /nfs/dbraw/zinc/08/22/32/1079082232.db2.gz UZQNNMYNYDDEOM-KRWDZBQOSA-N 1 2 415.471 2.149 20 0 HEADLO C[C@H](C(=O)N1CCO[C@H](C[NH+]2CCOCC2)C1)c1ccc(Br)s1 ZINC001169001765 1079096368 /nfs/dbraw/zinc/09/63/68/1079096368.db2.gz GVIYACNJIJLQCK-QWHCGFSZSA-N 1 2 403.342 2.174 20 0 HEADLO C[C@H](C[NH+]1CCOCC1)NC(=O)N(CCNC(=O)OC(C)(C)C)Cc1ccccc1 ZINC000766590255 1079127218 /nfs/dbraw/zinc/12/72/18/1079127218.db2.gz HRSHXPYMGGGKHK-GOSISDBHSA-N 1 2 420.554 2.444 20 0 HEADLO COC(=O)[C@@H]1C[C@@H](Nc2nccc(I)c2C(F)(F)F)C[NH2+]1 ZINC001169131095 1079151581 /nfs/dbraw/zinc/15/15/81/1079151581.db2.gz UTRQRASOBNXFPN-SVRRBLITSA-N 1 2 415.153 2.020 20 0 HEADLO CS(=O)(=O)Nc1ccc(S(=O)(=O)Oc2ccc(-n3cc[nH+]c3)cc2)cc1F ZINC000771162770 1079177681 /nfs/dbraw/zinc/17/76/81/1079177681.db2.gz IGWLXVFODQMKPB-UHFFFAOYSA-N 1 2 411.436 2.151 20 0 HEADLO COC(=O)CN(CC[NH+]1CCOCC1)Cn1cc(-c2ccc(F)cc2)oc1=S ZINC000746380113 1079183075 /nfs/dbraw/zinc/18/30/75/1079183075.db2.gz POVAELJXFAXLOP-UHFFFAOYSA-N 1 2 409.483 2.381 20 0 HEADLO Cn1cc(I)c(C(=O)NCCn2c[nH+]cc2-c2ccccc2)n1 ZINC001169169085 1079184695 /nfs/dbraw/zinc/18/46/95/1079184695.db2.gz VJXJPMPVNNOUTO-UHFFFAOYSA-N 1 2 421.242 2.318 20 0 HEADLO CS(=O)(=O)N1CCN(CCNc2cc(C(F)(F)F)c3c([nH+]2)CCCCC3)CC1 ZINC001169337677 1079238382 /nfs/dbraw/zinc/23/83/82/1079238382.db2.gz GROWLLAGNWPBTQ-UHFFFAOYSA-N 1 2 420.501 2.358 20 0 HEADLO O=C(CCC(=O)N1CCN(c2cccc[nH+]2)CC1)Nc1ccc(Br)nc1 ZINC000766687660 1079279390 /nfs/dbraw/zinc/27/93/90/1079279390.db2.gz AUXLZFMITBMBCB-UHFFFAOYSA-N 1 2 418.295 2.307 20 0 HEADLO COc1ccc(OC)c([C@H](O)CNC(=O)CNc2cccc(-c3c[nH+]cn3C)c2)c1 ZINC001169446301 1079295858 /nfs/dbraw/zinc/29/58/58/1079295858.db2.gz ZOMFBCHXTLIMIZ-HXUWFJFHSA-N 1 2 410.474 2.366 20 0 HEADLO CN(C)c1ccc([NH+]2CCC(NC(=O)N[C@H]3CCO[C@@]4(CCOC4)C3)CC2)cc1 ZINC000771423755 1079315387 /nfs/dbraw/zinc/31/53/87/1079315387.db2.gz RBIFCGSDIYIJNL-AVRDEDQJSA-N 1 2 402.539 2.359 20 0 HEADLO COC(=O)c1cc(OC)nc(N[C@@H]2C[C@H](C(=O)OCc3ccccc3)CCC[NH2+]2)n1 ZINC001169504511 1079316313 /nfs/dbraw/zinc/31/63/13/1079316313.db2.gz PDMKZHBYYXBUTM-NVXWUHKLSA-N 1 2 414.462 2.143 20 0 HEADLO Cc1cc(F)ccc1C(=O)OCC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000771405088 1079324793 /nfs/dbraw/zinc/32/47/93/1079324793.db2.gz JBMNBJZOSLZXTE-UHFFFAOYSA-N 1 2 400.450 2.440 20 0 HEADLO CC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)c3ccc(NC(=O)OC(C)(C)C)cc3)CC2)C1 ZINC001169564914 1079332822 /nfs/dbraw/zinc/33/28/22/1079332822.db2.gz IPAZVUJZFUMINA-LJQANCHMSA-N 1 2 416.522 2.412 20 0 HEADLO CC(=O)N1CCC[C@@H](N2CCO[C@@H](c3[nH+]cn4c3cccc4Br)C2)C1 ZINC001169602563 1079341229 /nfs/dbraw/zinc/34/12/29/1079341229.db2.gz IQCLDBIFUKWMIW-GDBMZVCRSA-N 1 2 407.312 2.481 20 0 HEADLO CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@H]2CCc3c[nH+]cn3C2)ccc1Cl ZINC000804337082 1079380135 /nfs/dbraw/zinc/38/01/35/1079380135.db2.gz ULDZYWSCYKELEQ-AWEZNQCLSA-N 1 2 410.927 2.312 20 0 HEADLO COC(=O)C(C)(C)[C@H]1CCC[N@H+](CN2C(=O)C(=O)N(c3ccc(C)cc3C)C2=O)C1 ZINC000771630423 1079415342 /nfs/dbraw/zinc/41/53/42/1079415342.db2.gz MFSUKNVXBHLKAF-INIZCTEOSA-N 1 2 415.490 2.467 20 0 HEADLO COC(=O)C(C)(C)[C@H]1CCC[N@@H+](CN2C(=O)C(=O)N(c3ccc(C)cc3C)C2=O)C1 ZINC000771630423 1079415348 /nfs/dbraw/zinc/41/53/48/1079415348.db2.gz MFSUKNVXBHLKAF-INIZCTEOSA-N 1 2 415.490 2.467 20 0 HEADLO COC(=O)C1=NOC2(C1)CCN(C(=O)Nc1nc(C[NH+]3CCCCC3)cs1)CC2 ZINC000766833491 1079416798 /nfs/dbraw/zinc/41/67/98/1079416798.db2.gz AHTZJEHAENRXFM-UHFFFAOYSA-N 1 2 421.523 2.445 20 0 HEADLO C[C@H](C(=O)Nc1nccs1)[N@H+](C)Cc1cccc(N2C[C@@H](C)CS2(=O)=O)c1 ZINC001169809676 1079427480 /nfs/dbraw/zinc/42/74/80/1079427480.db2.gz BXFOIJORZXGUIE-ZIAGYGMSSA-N 1 2 408.549 2.388 20 0 HEADLO C[C@H](C(=O)Nc1nccs1)[N@@H+](C)Cc1cccc(N2C[C@@H](C)CS2(=O)=O)c1 ZINC001169809676 1079427490 /nfs/dbraw/zinc/42/74/90/1079427490.db2.gz BXFOIJORZXGUIE-ZIAGYGMSSA-N 1 2 408.549 2.388 20 0 HEADLO CCC[C@@H]1CN(S(=O)(=O)c2cc(C(=O)OC)ccc2Cl)CC[N@@H+]1CCOC ZINC000766851027 1079437044 /nfs/dbraw/zinc/43/70/44/1079437044.db2.gz QJKWOHMONBLDBU-OAHLLOKOSA-N 1 2 418.943 2.248 20 0 HEADLO CCC[C@@H]1CN(S(=O)(=O)c2cc(C(=O)OC)ccc2Cl)CC[N@H+]1CCOC ZINC000766851027 1079437055 /nfs/dbraw/zinc/43/70/55/1079437055.db2.gz QJKWOHMONBLDBU-OAHLLOKOSA-N 1 2 418.943 2.248 20 0 HEADLO CS(=O)(=O)C1CCC([N@H+]2Cc3cncn3C[C@H](COCc3ccccn3)C2)CC1 ZINC001169881402 1079455941 /nfs/dbraw/zinc/45/59/41/1079455941.db2.gz UWSAIWCWCOIBGR-FQVISZRSSA-N 1 2 418.563 2.283 20 0 HEADLO CS(=O)(=O)C1CCC([N@@H+]2Cc3cncn3C[C@H](COCc3ccccn3)C2)CC1 ZINC001169881402 1079455948 /nfs/dbraw/zinc/45/59/48/1079455948.db2.gz UWSAIWCWCOIBGR-FQVISZRSSA-N 1 2 418.563 2.283 20 0 HEADLO CCOC(Cn1cc(C(=O)N2CC[NH+](Cc3ccc(CC)s3)CC2)nn1)OCC ZINC000737934451 1075939397 /nfs/dbraw/zinc/93/93/97/1075939397.db2.gz MNZXVNGIEVIHRF-UHFFFAOYSA-N 1 2 421.567 2.259 20 0 HEADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)C1=NN(c2ccccc2)C(=O)[C@@H](C)N1 ZINC000737936240 1075939867 /nfs/dbraw/zinc/93/98/67/1075939867.db2.gz PVRHUCXGILJTRW-QGZVFWFLSA-N 1 2 421.501 2.104 20 0 HEADLO CCc1ccc(C[NH+]2CCN(C(=O)COCCNC(=O)OC(C)(C)C)CC2)s1 ZINC000737935247 1075939892 /nfs/dbraw/zinc/93/98/92/1075939892.db2.gz VQPLLSNTEWYNDP-UHFFFAOYSA-N 1 2 411.568 2.496 20 0 HEADLO COC(=O)[C@H]1CCC[N@H+](CN2C(=O)N[C@@](C)(c3ccccc3Br)C2=O)C1 ZINC000738055900 1075961852 /nfs/dbraw/zinc/96/18/52/1075961852.db2.gz IMJACIDIAOCCCO-SGTLLEGYSA-N 1 2 424.295 2.059 20 0 HEADLO COC(=O)[C@H]1CCC[N@@H+](CN2C(=O)N[C@@](C)(c3ccccc3Br)C2=O)C1 ZINC000738055900 1075961856 /nfs/dbraw/zinc/96/18/56/1075961856.db2.gz IMJACIDIAOCCCO-SGTLLEGYSA-N 1 2 424.295 2.059 20 0 HEADLO CCOC(=O)c1ccc2c(c1)n(C[N@@H+]1CCC[C@H](C3OCCO3)C1)c(=O)n2CC ZINC000738147971 1075968727 /nfs/dbraw/zinc/96/87/27/1075968727.db2.gz HOCXWTUSXSODNF-INIZCTEOSA-N 1 2 403.479 2.042 20 0 HEADLO CCOC(=O)c1ccc2c(c1)n(C[N@H+]1CCC[C@H](C3OCCO3)C1)c(=O)n2CC ZINC000738147971 1075968731 /nfs/dbraw/zinc/96/87/31/1075968731.db2.gz HOCXWTUSXSODNF-INIZCTEOSA-N 1 2 403.479 2.042 20 0 HEADLO C[N@H+](CCN1CCN(C(=O)OC(C)(C)C)CC1)CC(=O)N1CCc2ccccc21 ZINC000738326689 1075980413 /nfs/dbraw/zinc/98/04/13/1075980413.db2.gz QCAKMYLRUDVLBR-UHFFFAOYSA-N 1 2 402.539 2.060 20 0 HEADLO C[N@@H+](CCN1CCN(C(=O)OC(C)(C)C)CC1)CC(=O)N1CCc2ccccc21 ZINC000738326689 1075980420 /nfs/dbraw/zinc/98/04/20/1075980420.db2.gz QCAKMYLRUDVLBR-UHFFFAOYSA-N 1 2 402.539 2.060 20 0 HEADLO CCOC(=O)C1C(C[N@H+]2CCC[C@H](OCC)C2)=NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000738321384 1075989351 /nfs/dbraw/zinc/98/93/51/1075989351.db2.gz VVJOJJGDMOWNQT-PXNSSMCTSA-N 1 2 417.506 2.367 20 0 HEADLO CCOC(=O)C1C(C[N@@H+]2CCC[C@H](OCC)C2)=NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000738321384 1075989353 /nfs/dbraw/zinc/98/93/53/1075989353.db2.gz VVJOJJGDMOWNQT-PXNSSMCTSA-N 1 2 417.506 2.367 20 0 HEADLO CCOC(=O)C1=C(C[N@H+]2CCC[C@H](OCC)C2)NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000738321384 1075989355 /nfs/dbraw/zinc/98/93/55/1075989355.db2.gz VVJOJJGDMOWNQT-PXNSSMCTSA-N 1 2 417.506 2.367 20 0 HEADLO CCOC(=O)C1=C(C[N@@H+]2CCC[C@H](OCC)C2)NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000738321384 1075989357 /nfs/dbraw/zinc/98/93/57/1075989357.db2.gz VVJOJJGDMOWNQT-PXNSSMCTSA-N 1 2 417.506 2.367 20 0 HEADLO CCOC(=O)c1nc(CN(C)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)cs1 ZINC000738325494 1075990415 /nfs/dbraw/zinc/99/04/15/1075990415.db2.gz DYRITFNRLCFWGT-UHFFFAOYSA-N 1 2 412.556 2.304 20 0 HEADLO C[N@H+](CCN1CCN(C(=O)OC(C)(C)C)CC1)CC(=O)Nc1cc(C(C)(C)C)no1 ZINC000738327019 1075991008 /nfs/dbraw/zinc/99/10/08/1075991008.db2.gz SSALDDJVHGYVNM-UHFFFAOYSA-N 1 2 423.558 2.395 20 0 HEADLO C[N@@H+](CCN1CCN(C(=O)OC(C)(C)C)CC1)CC(=O)Nc1cc(C(C)(C)C)no1 ZINC000738327019 1075991012 /nfs/dbraw/zinc/99/10/12/1075991012.db2.gz SSALDDJVHGYVNM-UHFFFAOYSA-N 1 2 423.558 2.395 20 0 HEADLO C[C@@H]1COCCN1c1ccc(NC(=O)C(=O)NC2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000739067148 1076035934 /nfs/dbraw/zinc/03/59/34/1076035934.db2.gz KOEKQPVPODIFEK-QGZVFWFLSA-N 1 2 423.517 2.030 20 0 HEADLO CCN(CCNC(=O)C(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C)C(=O)OC(C)(C)C ZINC000804258500 1076079956 /nfs/dbraw/zinc/07/99/56/1076079956.db2.gz YPVSHSUJMOOCHD-UHFFFAOYSA-N 1 2 422.526 2.039 20 0 HEADLO C[C@@H]1CN(C(=O)C2CC[NH+](Cc3nccn3C)CC2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000740830143 1076252155 /nfs/dbraw/zinc/25/21/55/1076252155.db2.gz PASLVBGGYUGHCW-AEFFLSMTSA-N 1 2 419.570 2.394 20 0 HEADLO CCC[N@H+](CN1c2cc3c(cc2C(=O)C1=O)OCCO3)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000740857078 1076269899 /nfs/dbraw/zinc/26/98/99/1076269899.db2.gz BAEIGGIFOITLHD-GBLZOACLSA-N 1 2 400.475 2.470 20 0 HEADLO CCC[N@@H+](CN1c2cc3c(cc2C(=O)C1=O)OCCO3)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000740857078 1076269911 /nfs/dbraw/zinc/26/99/11/1076269911.db2.gz BAEIGGIFOITLHD-GBLZOACLSA-N 1 2 400.475 2.470 20 0 HEADLO C[C@@H]1C[N@H+](C[C@@H](O)c2ccc(S(C)(=O)=O)cc2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000740882665 1076281271 /nfs/dbraw/zinc/28/12/71/1076281271.db2.gz FVSUKXKOBYWIJU-FHLIZLRMSA-N 1 2 412.552 2.359 20 0 HEADLO C[C@@H]1C[N@@H+](C[C@@H](O)c2ccc(S(C)(=O)=O)cc2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000740882665 1076281289 /nfs/dbraw/zinc/28/12/89/1076281289.db2.gz FVSUKXKOBYWIJU-FHLIZLRMSA-N 1 2 412.552 2.359 20 0 HEADLO C[C@H]1C[N@H+](Cc2ccc(S(=O)(=O)N(C)C)o2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000740881062 1076281612 /nfs/dbraw/zinc/28/16/12/1076281612.db2.gz GKIHRZFRNNBCDI-DZGCQCFKSA-N 1 2 401.529 2.265 20 0 HEADLO C[C@H]1C[N@@H+](Cc2ccc(S(=O)(=O)N(C)C)o2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000740881062 1076281623 /nfs/dbraw/zinc/28/16/23/1076281623.db2.gz GKIHRZFRNNBCDI-DZGCQCFKSA-N 1 2 401.529 2.265 20 0 HEADLO O=C(COC(=O)c1ccccc1SCCO)N1CC[NH+](Cc2ccsc2)CC1 ZINC000740967632 1076314531 /nfs/dbraw/zinc/31/45/31/1076314531.db2.gz HIUGJJUIGYCXRU-UHFFFAOYSA-N 1 2 420.556 2.334 20 0 HEADLO C[C@@H](C(=O)NC[C@@H](O)c1c(F)cccc1F)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000740935899 1076315260 /nfs/dbraw/zinc/31/52/60/1076315260.db2.gz QIHOWENKBIINQS-IFXJQAMLSA-N 1 2 407.436 2.464 20 0 HEADLO C[C@H](C(=O)OCC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)[NH+]1CCCCCC1 ZINC000741029654 1076344209 /nfs/dbraw/zinc/34/42/09/1076344209.db2.gz QZFQSUOKJQOLEX-QGZVFWFLSA-N 1 2 422.547 2.462 20 0 HEADLO O=C(N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1)N[C@@H](CCO)c1cccs1 ZINC000741086252 1076350056 /nfs/dbraw/zinc/35/00/56/1076350056.db2.gz LADCNSMUDKKOKF-OALUTQOASA-N 1 2 403.548 2.414 20 0 HEADLO O=C(NC[C@@H](O)c1c(F)cccc1F)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000741073668 1076353942 /nfs/dbraw/zinc/35/39/42/1076353942.db2.gz BYZJKTFWXMZFSS-VQIMIIECSA-N 1 2 405.445 2.198 20 0 HEADLO O=C(NC[C@@H](O)c1c(F)cccc1F)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000741073668 1076353945 /nfs/dbraw/zinc/35/39/45/1076353945.db2.gz BYZJKTFWXMZFSS-VQIMIIECSA-N 1 2 405.445 2.198 20 0 HEADLO CC[N@@H+]1CCCC[C@H]1C(=O)OCC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000741149060 1076393060 /nfs/dbraw/zinc/39/30/60/1076393060.db2.gz MZGUQVNHBQFFSH-AWEZNQCLSA-N 1 2 404.435 2.039 20 0 HEADLO CC[N@H+]1CCCC[C@H]1C(=O)OCC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000741149060 1076393065 /nfs/dbraw/zinc/39/30/65/1076393065.db2.gz MZGUQVNHBQFFSH-AWEZNQCLSA-N 1 2 404.435 2.039 20 0 HEADLO COc1ccc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c(C(=O)NC2CC2)c1 ZINC000741188246 1076401157 /nfs/dbraw/zinc/40/11/57/1076401157.db2.gz KSFMCTMKALFARD-NRFANRHFSA-N 1 2 409.486 2.427 20 0 HEADLO COc1ccc(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c(C(=O)NC2CC2)c1 ZINC000741188246 1076401160 /nfs/dbraw/zinc/40/11/60/1076401160.db2.gz KSFMCTMKALFARD-NRFANRHFSA-N 1 2 409.486 2.427 20 0 HEADLO C[C@H](NC(=O)c1cnn(-c2ccc(F)cc2)n1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000741204359 1076418369 /nfs/dbraw/zinc/41/83/69/1076418369.db2.gz NEFHPWFXEJMUSX-KKSFZXQISA-N 1 2 409.465 2.426 20 0 HEADLO C[C@H](NC(=O)c1cnn(-c2ccc(F)cc2)n1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000741204359 1076418372 /nfs/dbraw/zinc/41/83/72/1076418372.db2.gz NEFHPWFXEJMUSX-KKSFZXQISA-N 1 2 409.465 2.426 20 0 HEADLO Cc1ccc([C@H](O)CNC(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)o1 ZINC000741267376 1076437601 /nfs/dbraw/zinc/43/76/01/1076437601.db2.gz AMCVEEHYKCQOCP-GOSISDBHSA-N 1 2 400.479 2.024 20 0 HEADLO O=C(COC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)Nc1ccc2c(c1)OCO2 ZINC000741345158 1076488099 /nfs/dbraw/zinc/48/80/99/1076488099.db2.gz CPMXYACNXCYHDD-GOSISDBHSA-N 1 2 412.442 2.188 20 0 HEADLO O=C(COC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)Nc1ccc2c(c1)OCO2 ZINC000741345158 1076488101 /nfs/dbraw/zinc/48/81/01/1076488101.db2.gz CPMXYACNXCYHDD-GOSISDBHSA-N 1 2 412.442 2.188 20 0 HEADLO O=C(COC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1)N[C@H]1CCOc2ccccc21 ZINC000741347334 1076490727 /nfs/dbraw/zinc/49/07/27/1076490727.db2.gz OTTHCNXUGZCMGU-FPOVZHCZSA-N 1 2 424.497 2.461 20 0 HEADLO O=C(COC(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1)N[C@H]1CCOc2ccccc21 ZINC000741347334 1076490728 /nfs/dbraw/zinc/49/07/28/1076490728.db2.gz OTTHCNXUGZCMGU-FPOVZHCZSA-N 1 2 424.497 2.461 20 0 HEADLO Cc1nn(C)c(C)c1NC(=O)[C@@H](C)OC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000741350811 1076491626 /nfs/dbraw/zinc/49/16/26/1076491626.db2.gz BPSJPZMDEUJQTP-IEBWSBKVSA-N 1 2 414.506 2.198 20 0 HEADLO Cc1nn(C)c(C)c1NC(=O)[C@@H](C)OC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000741350811 1076491631 /nfs/dbraw/zinc/49/16/31/1076491631.db2.gz BPSJPZMDEUJQTP-IEBWSBKVSA-N 1 2 414.506 2.198 20 0 HEADLO Cc1nn(C)c(C)c1NC(=O)[C@H](C)OC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000741350816 1076491637 /nfs/dbraw/zinc/49/16/37/1076491637.db2.gz BPSJPZMDEUJQTP-PKOBYXMFSA-N 1 2 414.506 2.198 20 0 HEADLO Cc1nn(C)c(C)c1NC(=O)[C@H](C)OC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000741350816 1076491640 /nfs/dbraw/zinc/49/16/40/1076491640.db2.gz BPSJPZMDEUJQTP-PKOBYXMFSA-N 1 2 414.506 2.198 20 0 HEADLO CS(=O)(=O)Nc1ccc(COC(=O)C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cc1 ZINC000741353143 1076492646 /nfs/dbraw/zinc/49/26/46/1076492646.db2.gz IHXNGKXJMJYVAT-HXUWFJFHSA-N 1 2 418.515 2.392 20 0 HEADLO CS(=O)(=O)Nc1ccc(COC(=O)C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1 ZINC000741353143 1076492648 /nfs/dbraw/zinc/49/26/48/1076492648.db2.gz IHXNGKXJMJYVAT-HXUWFJFHSA-N 1 2 418.515 2.392 20 0 HEADLO O=C(COC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1)NCc1cccc(Cl)c1 ZINC000741387494 1076496025 /nfs/dbraw/zinc/49/60/25/1076496025.db2.gz ZBIFUBBSHQKKHD-IBGZPJMESA-N 1 2 402.878 2.400 20 0 HEADLO O=C(COC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)NCc1cccc(Cl)c1 ZINC000741387494 1076496031 /nfs/dbraw/zinc/49/60/31/1076496031.db2.gz ZBIFUBBSHQKKHD-IBGZPJMESA-N 1 2 402.878 2.400 20 0 HEADLO CCc1ccc(CNC(=O)COC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)s1 ZINC000741379123 1076504446 /nfs/dbraw/zinc/50/44/46/1076504446.db2.gz NHQOACXAPLDLIC-IBGZPJMESA-N 1 2 402.516 2.371 20 0 HEADLO CCc1ccc(CNC(=O)COC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)s1 ZINC000741379123 1076504451 /nfs/dbraw/zinc/50/44/51/1076504451.db2.gz NHQOACXAPLDLIC-IBGZPJMESA-N 1 2 402.516 2.371 20 0 HEADLO C[C@H](OC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1)C(=O)NCc1ccccc1F ZINC000741380469 1076505814 /nfs/dbraw/zinc/50/58/14/1076505814.db2.gz UBUMLYYSSGDEAE-JXFKEZNVSA-N 1 2 400.450 2.275 20 0 HEADLO C[C@H](OC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)C(=O)NCc1ccccc1F ZINC000741380469 1076505817 /nfs/dbraw/zinc/50/58/17/1076505817.db2.gz UBUMLYYSSGDEAE-JXFKEZNVSA-N 1 2 400.450 2.275 20 0 HEADLO COc1ccccc1CNC(=O)[C@@H](C)OC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000741383187 1076506444 /nfs/dbraw/zinc/50/64/44/1076506444.db2.gz SLOHCYLTVXFRNL-UTKZUKDTSA-N 1 2 412.486 2.144 20 0 HEADLO COc1ccccc1CNC(=O)[C@@H](C)OC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000741383187 1076506458 /nfs/dbraw/zinc/50/64/58/1076506458.db2.gz SLOHCYLTVXFRNL-UTKZUKDTSA-N 1 2 412.486 2.144 20 0 HEADLO COc1cccc(CN(C)C(=O)COC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)c1 ZINC000741381646 1076506510 /nfs/dbraw/zinc/50/65/10/1076506510.db2.gz IJUOYHAJGXFDLH-OAQYLSRUSA-N 1 2 412.486 2.098 20 0 HEADLO COc1cccc(CN(C)C(=O)COC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c1 ZINC000741381646 1076506520 /nfs/dbraw/zinc/50/65/20/1076506520.db2.gz IJUOYHAJGXFDLH-OAQYLSRUSA-N 1 2 412.486 2.098 20 0 HEADLO C[C@H](OC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1)C(=O)N1CCc2ccccc2C1 ZINC000741382523 1076507558 /nfs/dbraw/zinc/50/75/58/1076507558.db2.gz OSCIHPYTAXUAHR-AVRDEDQJSA-N 1 2 408.498 2.404 20 0 HEADLO C[C@H](OC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)C(=O)N1CCc2ccccc2C1 ZINC000741382523 1076507560 /nfs/dbraw/zinc/50/75/60/1076507560.db2.gz OSCIHPYTAXUAHR-AVRDEDQJSA-N 1 2 408.498 2.404 20 0 HEADLO CC(C)(C)c1cc(NC(=O)COC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)on1 ZINC000741390629 1076518373 /nfs/dbraw/zinc/51/83/73/1076518373.db2.gz ZVFUTGIAGGKSNU-MRXNPFEDSA-N 1 2 401.463 2.355 20 0 HEADLO CC(C)(C)c1cc(NC(=O)COC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)on1 ZINC000741390629 1076518382 /nfs/dbraw/zinc/51/83/82/1076518382.db2.gz ZVFUTGIAGGKSNU-MRXNPFEDSA-N 1 2 401.463 2.355 20 0 HEADLO CC(C)(C)c1cc(NC(=O)COC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)on1 ZINC000741390627 1076518402 /nfs/dbraw/zinc/51/84/02/1076518402.db2.gz ZVFUTGIAGGKSNU-INIZCTEOSA-N 1 2 401.463 2.355 20 0 HEADLO CC(C)(C)c1cc(NC(=O)COC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)on1 ZINC000741390627 1076518412 /nfs/dbraw/zinc/51/84/12/1076518412.db2.gz ZVFUTGIAGGKSNU-INIZCTEOSA-N 1 2 401.463 2.355 20 0 HEADLO Cn1cc(-c2cccc(C(=O)N3CC[NH+](Cc4ccc(C(N)=O)cc4)CC3)c2)cn1 ZINC000741674407 1076582653 /nfs/dbraw/zinc/58/26/53/1076582653.db2.gz PKSKUXMBNSYPLV-UHFFFAOYSA-N 1 2 403.486 2.144 20 0 HEADLO O=C(Nc1cccc2[nH+]ccn21)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC000741739620 1076617223 /nfs/dbraw/zinc/61/72/23/1076617223.db2.gz FKAKOSNZTYADKZ-UHFFFAOYSA-N 1 2 420.878 2.261 20 0 HEADLO C[N@@H+](CC(=O)Nc1ccc(N2CCOCC2)cc1)C[C@@H]1CN(c2ccccc2)C(=O)O1 ZINC000741774353 1076621823 /nfs/dbraw/zinc/62/18/23/1076621823.db2.gz GLUZRKKZYVXIOE-OAQYLSRUSA-N 1 2 424.501 2.419 20 0 HEADLO C[N@H+](CC(=O)Nc1ccc(N2CCOCC2)cc1)C[C@@H]1CN(c2ccccc2)C(=O)O1 ZINC000741774353 1076621826 /nfs/dbraw/zinc/62/18/26/1076621826.db2.gz GLUZRKKZYVXIOE-OAQYLSRUSA-N 1 2 424.501 2.419 20 0 HEADLO CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)C[N@@H+]2Cc3ccccc3C[C@H]2C)C1=O ZINC000741798517 1076623790 /nfs/dbraw/zinc/62/37/90/1076623790.db2.gz UVZDWEYXULBFNB-MWTRTKDXSA-N 1 2 406.486 2.322 20 0 HEADLO CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)C[N@H+]2Cc3ccccc3C[C@H]2C)C1=O ZINC000741798517 1076623797 /nfs/dbraw/zinc/62/37/97/1076623797.db2.gz UVZDWEYXULBFNB-MWTRTKDXSA-N 1 2 406.486 2.322 20 0 HEADLO O=C1O[C@@H](C[NH+]2CCN([C@@H]3CCN(c4ccccc4)C3=O)CC2)CN1c1ccccc1 ZINC000741788446 1076627214 /nfs/dbraw/zinc/62/72/14/1076627214.db2.gz WVHZERIUWASNBN-FCHUYYIVSA-N 1 2 420.513 2.435 20 0 HEADLO C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000741803551 1076642069 /nfs/dbraw/zinc/64/20/69/1076642069.db2.gz FIDRDPFJJKUYGB-QZTJIDSGSA-N 1 2 417.554 2.060 20 0 HEADLO CCS(=O)(=O)c1ccc(F)c(C(=O)Nc2cc(C(N)=O)ccc2C[NH+](C)C)c1 ZINC000741942554 1076675649 /nfs/dbraw/zinc/67/56/49/1076675649.db2.gz IVQYWFTZIOHCMR-UHFFFAOYSA-N 1 2 407.467 2.032 20 0 HEADLO NC(=O)c1ccc(/C=C/C(=O)N2CCC[C@H]2C(=O)Nc2cccc3[nH+]ccn32)cc1 ZINC000741969937 1076700228 /nfs/dbraw/zinc/70/02/28/1076700228.db2.gz RMDVYOLPLNOXDK-YRYLYKBFSA-N 1 2 403.442 2.076 20 0 HEADLO CN(C)c1ccc([NH+]2CCC(NC(=O)c3ccc4c(c3)C(=O)N(C)C4=O)CC2)cc1 ZINC000741982784 1076702149 /nfs/dbraw/zinc/70/21/49/1076702149.db2.gz IWDWJCAXALBAQY-UHFFFAOYSA-N 1 2 406.486 2.377 20 0 HEADLO CNC(=O)c1cncc(/C=C/C(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)c1 ZINC000741982144 1076702796 /nfs/dbraw/zinc/70/27/96/1076702796.db2.gz LNGIRWUZKWAEBT-RUDMXATFSA-N 1 2 407.518 2.306 20 0 HEADLO CN(C)c1ccc([NH+]2CCC(NC(=O)Cn3cnc4ccccc4c3=O)CC2)cc1 ZINC000741983170 1076703518 /nfs/dbraw/zinc/70/35/18/1076703518.db2.gz DMQHIXWBBWGKHC-UHFFFAOYSA-N 1 2 405.502 2.248 20 0 HEADLO COc1c(C)c[nH+]c(CNC(=O)[C@H](C)NC(=O)c2cc3c(C)nn(C)c3s2)c1C ZINC000742059926 1076731486 /nfs/dbraw/zinc/73/14/86/1076731486.db2.gz QWEKDIQWKMUIJP-ZDUSSCGKSA-N 1 2 415.519 2.398 20 0 HEADLO C[C@@H]1CN(C(=O)C2CC[NH+](Cc3nccn3C)CC2)CCN1C(=O)OC(C)(C)C ZINC000742086908 1076740952 /nfs/dbraw/zinc/74/09/52/1076740952.db2.gz WMJNRCWBUSRMQH-MRXNPFEDSA-N 1 2 405.543 2.100 20 0 HEADLO Cc1cc(C(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)ccc1S(N)(=O)=O ZINC000742109918 1076744668 /nfs/dbraw/zinc/74/46/68/1076744668.db2.gz ZRRDKMKVJANSIQ-UHFFFAOYSA-N 1 2 416.547 2.107 20 0 HEADLO OC1C[C@H]2CC[C@@H](C1)[N@H+]2Cn1nc(N2CCOCC2)n(-c2cccc(F)c2)c1=S ZINC000742149485 1076766200 /nfs/dbraw/zinc/76/62/00/1076766200.db2.gz GLTZEZICHHLLRB-BYICEURKSA-N 1 2 419.526 2.324 20 0 HEADLO OC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cn1nc(N2CCOCC2)n(-c2cccc(F)c2)c1=S ZINC000742149485 1076766203 /nfs/dbraw/zinc/76/62/03/1076766203.db2.gz GLTZEZICHHLLRB-BYICEURKSA-N 1 2 419.526 2.324 20 0 HEADLO C[C@@H]1CCC[C@@H](C)[N@H+](CN2C(=O)N[C@](C)(c3ccc(S(C)(=O)=O)cc3)C2=O)C1 ZINC000742156409 1076770010 /nfs/dbraw/zinc/77/00/10/1076770010.db2.gz WDHWTTIXJBRMFE-STXHMFSFSA-N 1 2 407.536 2.325 20 0 HEADLO C[C@@H]1CCC[C@@H](C)[N@@H+](CN2C(=O)N[C@](C)(c3ccc(S(C)(=O)=O)cc3)C2=O)C1 ZINC000742156409 1076770019 /nfs/dbraw/zinc/77/00/19/1076770019.db2.gz WDHWTTIXJBRMFE-STXHMFSFSA-N 1 2 407.536 2.325 20 0 HEADLO C[C@@H]1CCC[C@H](C)[N@H+](CN2C(=O)N[C@@](C)(c3ccc(S(C)(=O)=O)cc3)C2=O)C1 ZINC000742156408 1076770118 /nfs/dbraw/zinc/77/01/18/1076770118.db2.gz WDHWTTIXJBRMFE-SIFCLUCFSA-N 1 2 407.536 2.325 20 0 HEADLO C[C@@H]1CCC[C@H](C)[N@@H+](CN2C(=O)N[C@@](C)(c3ccc(S(C)(=O)=O)cc3)C2=O)C1 ZINC000742156408 1076770123 /nfs/dbraw/zinc/77/01/23/1076770123.db2.gz WDHWTTIXJBRMFE-SIFCLUCFSA-N 1 2 407.536 2.325 20 0 HEADLO C[N@H+](CC(F)F)C1CCN(C(=O)c2ccc(F)c(S(=O)(=O)NC3CC3)c2)CC1 ZINC000742238109 1076803586 /nfs/dbraw/zinc/80/35/86/1076803586.db2.gz UAMNCNQXVBWTSC-UHFFFAOYSA-N 1 2 419.469 2.068 20 0 HEADLO C[N@@H+](CC(F)F)C1CCN(C(=O)c2ccc(F)c(S(=O)(=O)NC3CC3)c2)CC1 ZINC000742238109 1076803590 /nfs/dbraw/zinc/80/35/90/1076803590.db2.gz UAMNCNQXVBWTSC-UHFFFAOYSA-N 1 2 419.469 2.068 20 0 HEADLO C[C@@H](c1cccnc1)N1C(=O)C[C@H]([N@@H+]2CCc3c(cccc3N3CCOC3=O)C2)C1=O ZINC000742267212 1076811595 /nfs/dbraw/zinc/81/15/95/1076811595.db2.gz YHAWMLWUBAQSMR-YWZLYKJASA-N 1 2 420.469 2.285 20 0 HEADLO C[C@@H](c1cccnc1)N1C(=O)C[C@H]([N@H+]2CCc3c(cccc3N3CCOC3=O)C2)C1=O ZINC000742267212 1076811596 /nfs/dbraw/zinc/81/15/96/1076811596.db2.gz YHAWMLWUBAQSMR-YWZLYKJASA-N 1 2 420.469 2.285 20 0 HEADLO COc1ccc(C(N)=[NH+]OCC(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)cc1OC ZINC000742355115 1076829393 /nfs/dbraw/zinc/82/93/93/1076829393.db2.gz VNSNLBCVDJHKHJ-LJQANCHMSA-N 1 2 417.437 2.290 20 0 HEADLO O=C(CCC(=O)N1CCN(c2cccc[nH+]2)CC1)OCc1cnn(-c2ccccc2)c1 ZINC000766283749 1076842644 /nfs/dbraw/zinc/84/26/44/1076842644.db2.gz KRGALRKNBRJMPW-UHFFFAOYSA-N 1 2 419.485 2.440 20 0 HEADLO CC(C)(C)c1ncc(/C=C/C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)s1 ZINC000742553388 1076851365 /nfs/dbraw/zinc/85/13/65/1076851365.db2.gz NIMNMUZOCMDBNV-AATRIKPKSA-N 1 2 400.552 2.182 20 0 HEADLO C[C@@H]1C[NH+](C[C@H]2CCCN2S(=O)(=O)c2ccc3oc(=O)ccc3c2)C[C@@H](C)O1 ZINC000742632685 1076859440 /nfs/dbraw/zinc/85/94/40/1076859440.db2.gz KAOLKVQDWTXWAB-BFYDXBDKSA-N 1 2 406.504 2.055 20 0 HEADLO N=C1NC(=O)[C@@H](CC(=O)NCCCC[NH+]2CCC(Cc3ccccc3)CC2)S1 ZINC000742656815 1076861037 /nfs/dbraw/zinc/86/10/37/1076861037.db2.gz JRJBAEBJDYHCOO-GOSISDBHSA-N 1 2 402.564 2.394 20 0 HEADLO C[C@H]1C[C@]2(CC(C)(C)C1)NC(=O)N(C[NH+]1CCC(c3nnc4n3CCC4)CC1)C2=O ZINC000743353983 1077030931 /nfs/dbraw/zinc/03/09/31/1077030931.db2.gz ITTKSNPKFHKOMI-IVZQSRNASA-N 1 2 414.554 2.498 20 0 HEADLO C[C@]1(C2CCCCC2)NC(=O)N(C[NH+]2CCC(c3nnc4n3CCC4)CC2)C1=O ZINC000743354422 1077031339 /nfs/dbraw/zinc/03/13/39/1077031339.db2.gz SJKNRCHZKPWUAC-OAQYLSRUSA-N 1 2 400.527 2.252 20 0 HEADLO C[C@@H]1C[NH+](CN2C(=O)N[C@@](C)(CCc3ccc4c(c3)OCO4)C2=O)C[C@@H](C)S1 ZINC000743374984 1077035216 /nfs/dbraw/zinc/03/52/16/1077035216.db2.gz DWJOHVWYVRHCFP-JZKQVHKSSA-N 1 2 405.520 2.442 20 0 HEADLO CC[C@H]1C[N@H+](CN2C(=O)N[C@@](C)(CCc3ccc4c(c3)OCO4)C2=O)CCS1 ZINC000743399589 1077042867 /nfs/dbraw/zinc/04/28/67/1077042867.db2.gz CSKLDGZYQNQGDY-YWZLYKJASA-N 1 2 405.520 2.443 20 0 HEADLO CC[C@H]1C[N@@H+](CN2C(=O)N[C@@](C)(CCc3ccc4c(c3)OCO4)C2=O)CCS1 ZINC000743399589 1077042875 /nfs/dbraw/zinc/04/28/75/1077042875.db2.gz CSKLDGZYQNQGDY-YWZLYKJASA-N 1 2 405.520 2.443 20 0 HEADLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)C(=O)Nc1cccc(CN2CCOC2=O)c1 ZINC000743403730 1077043693 /nfs/dbraw/zinc/04/36/93/1077043693.db2.gz VPPQTJRWVUMFPR-UHFFFAOYSA-N 1 2 419.441 2.079 20 0 HEADLO COC(=O)CC[N@H+](Cn1ncn(CCc2ccccn2)c1=S)C1CCOCC1 ZINC000743404189 1077043763 /nfs/dbraw/zinc/04/37/63/1077043763.db2.gz MFIGRRYPAMOHSH-UHFFFAOYSA-N 1 2 405.524 2.053 20 0 HEADLO COC(=O)CC[N@@H+](Cn1ncn(CCc2ccccn2)c1=S)C1CCOCC1 ZINC000743404189 1077043768 /nfs/dbraw/zinc/04/37/68/1077043768.db2.gz MFIGRRYPAMOHSH-UHFFFAOYSA-N 1 2 405.524 2.053 20 0 HEADLO CN(C(=O)c1ccccc1NC(=O)C(=O)N1CC[NH+](C2CC2)CC1)C1CCCCC1 ZINC000743424704 1077046180 /nfs/dbraw/zinc/04/61/80/1077046180.db2.gz YIQHSXGTRRIKJY-UHFFFAOYSA-N 1 2 412.534 2.336 20 0 HEADLO Nn1c(SCC(=O)Nc2nc(C[NH+]3CCCC3)cs2)nnc1[C@H]1CCCCO1 ZINC000743459159 1077053805 /nfs/dbraw/zinc/05/38/05/1077053805.db2.gz ZJJZFDKLPZYACH-CYBMUJFWSA-N 1 2 423.568 2.017 20 0 HEADLO C[C@H](C[NH+]1CCOCC1)NC(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC000743537470 1077070301 /nfs/dbraw/zinc/07/03/01/1077070301.db2.gz PWXFPVWSMHPETL-AEFFLSMTSA-N 1 2 406.527 2.272 20 0 HEADLO C[C@@H]1C[C@@H](c2ccccc2F)N(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC000743603402 1077079250 /nfs/dbraw/zinc/07/92/50/1077079250.db2.gz ZTJLBVFQTYFNQJ-BEFAXECRSA-N 1 2 411.543 2.427 20 0 HEADLO COC(=O)c1ccccc1N(C)C(=O)C[N@@H+]1CCc2c(cccc2N2CCOC2=O)C1 ZINC000743857174 1077144333 /nfs/dbraw/zinc/14/43/33/1077144333.db2.gz ATQZMFGMPSPINA-UHFFFAOYSA-N 1 2 423.469 2.451 20 0 HEADLO COC(=O)c1ccccc1N(C)C(=O)C[N@H+]1CCc2c(cccc2N2CCOC2=O)C1 ZINC000743857174 1077144343 /nfs/dbraw/zinc/14/43/43/1077144343.db2.gz ATQZMFGMPSPINA-UHFFFAOYSA-N 1 2 423.469 2.451 20 0 HEADLO COC(=O)C(C)(C)c1ccc(NC(=O)C(=O)NCc2[nH+]cc(C)c(OC)c2C)cc1 ZINC000743901790 1077214905 /nfs/dbraw/zinc/21/49/05/1077214905.db2.gz PDTURWLGTYENCC-UHFFFAOYSA-N 1 2 413.474 2.413 20 0 HEADLO CN(C)c1ccc([NH+]2CCC(NC(=O)C(=O)Nc3cccc4c3OCCO4)CC2)cc1 ZINC000743944387 1077238748 /nfs/dbraw/zinc/23/87/48/1077238748.db2.gz HQVRMWFJSJKXBW-UHFFFAOYSA-N 1 2 424.501 2.248 20 0 HEADLO O=C(NCc1ccccc1OCC[NH+]1CCOCC1)NC[C@@H](O)c1ccccc1F ZINC000744291909 1077357414 /nfs/dbraw/zinc/35/74/14/1077357414.db2.gz LWQPVNQFVJUONM-HXUWFJFHSA-N 1 2 417.481 2.070 20 0 HEADLO CS(=O)(=O)NCC[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000744389164 1077372747 /nfs/dbraw/zinc/37/27/47/1077372747.db2.gz MMZHBYQOAFMKBJ-LJQANCHMSA-N 1 2 422.595 2.409 20 0 HEADLO CS(=O)(=O)NCC[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000744389164 1077372754 /nfs/dbraw/zinc/37/27/54/1077372754.db2.gz MMZHBYQOAFMKBJ-LJQANCHMSA-N 1 2 422.595 2.409 20 0 HEADLO CC[C@@](C)([NH2+]CC(=O)NN1C(=O)N[C@](CC)(c2ccccc2)C1=O)c1nccs1 ZINC000744403963 1077381059 /nfs/dbraw/zinc/38/10/59/1077381059.db2.gz BYWVWQLORHOIPF-WOJBJXKFSA-N 1 2 415.519 2.246 20 0 HEADLO CCC1(O)CC[NH+](CC(=O)Nc2sc3c(c2C(=O)NCCOC)CCCC3)CC1 ZINC000744410627 1077383580 /nfs/dbraw/zinc/38/35/80/1077383580.db2.gz QIUOHIGUFFXDKK-UHFFFAOYSA-N 1 2 423.579 2.179 20 0 HEADLO CCO[C@@H](C)c1noc(C[N@H+](C)CCC(=O)Nc2ccc(N3CCOCC3)cc2)n1 ZINC000744411354 1077383987 /nfs/dbraw/zinc/38/39/87/1077383987.db2.gz MMLVDFBDFCXFEA-INIZCTEOSA-N 1 2 417.510 2.464 20 0 HEADLO CCO[C@@H](C)c1noc(C[N@@H+](C)CCC(=O)Nc2ccc(N3CCOCC3)cc2)n1 ZINC000744411354 1077383994 /nfs/dbraw/zinc/38/39/94/1077383994.db2.gz MMLVDFBDFCXFEA-INIZCTEOSA-N 1 2 417.510 2.464 20 0 HEADLO CCO[C@H](C)c1noc(C[N@H+](C)CCC(=O)Nc2ccc(N3CCOCC3)cc2)n1 ZINC000744411355 1077384285 /nfs/dbraw/zinc/38/42/85/1077384285.db2.gz MMLVDFBDFCXFEA-MRXNPFEDSA-N 1 2 417.510 2.464 20 0 HEADLO CCO[C@H](C)c1noc(C[N@@H+](C)CCC(=O)Nc2ccc(N3CCOCC3)cc2)n1 ZINC000744411355 1077384288 /nfs/dbraw/zinc/38/42/88/1077384288.db2.gz MMLVDFBDFCXFEA-MRXNPFEDSA-N 1 2 417.510 2.464 20 0 HEADLO CN(C[C@@H]1CCC[N@@H+]1CC(=O)N1CC(=O)Nc2ccccc21)C(=O)OC(C)(C)C ZINC000744424624 1077388447 /nfs/dbraw/zinc/38/84/47/1077388447.db2.gz SGQZVFKLIKZTGA-HNNXBMFYSA-N 1 2 402.495 2.303 20 0 HEADLO CN(C[C@@H]1CCC[N@H+]1CC(=O)N1CC(=O)Nc2ccccc21)C(=O)OC(C)(C)C ZINC000744424624 1077388453 /nfs/dbraw/zinc/38/84/53/1077388453.db2.gz SGQZVFKLIKZTGA-HNNXBMFYSA-N 1 2 402.495 2.303 20 0 HEADLO CC[N@@H+]1CCCC[C@@H]1C(=O)OCC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl ZINC000745086006 1077724096 /nfs/dbraw/zinc/72/40/96/1077724096.db2.gz PNZCZHVVKWUGOW-OAHLLOKOSA-N 1 2 402.900 2.100 20 0 HEADLO CC[N@H+]1CCCC[C@@H]1C(=O)OCC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl ZINC000745086006 1077724106 /nfs/dbraw/zinc/72/41/06/1077724106.db2.gz PNZCZHVVKWUGOW-OAHLLOKOSA-N 1 2 402.900 2.100 20 0 HEADLO CC[N@H+](C)[C@H](C(=O)OCC(=O)NCC(=O)Nc1ccc(F)c(F)c1)c1ccccc1 ZINC000745100205 1077730933 /nfs/dbraw/zinc/73/09/33/1077730933.db2.gz LLJTZRMGWBWLKG-FQEVSTJZSA-N 1 2 419.428 2.256 20 0 HEADLO CC[N@@H+](C)[C@H](C(=O)OCC(=O)NCC(=O)Nc1ccc(F)c(F)c1)c1ccccc1 ZINC000745100205 1077730938 /nfs/dbraw/zinc/73/09/38/1077730938.db2.gz LLJTZRMGWBWLKG-FQEVSTJZSA-N 1 2 419.428 2.256 20 0 HEADLO CCOC(=O)C1CCN(C(=O)[C@H](C)OC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC000745101959 1077731226 /nfs/dbraw/zinc/73/12/26/1077731226.db2.gz YIEWLNZLNYVPFR-QFBILLFUSA-N 1 2 404.507 2.413 20 0 HEADLO CCOC(=O)C1CCN(C(=O)[C@H](C)OC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC000745101959 1077731230 /nfs/dbraw/zinc/73/12/30/1077731230.db2.gz YIEWLNZLNYVPFR-QFBILLFUSA-N 1 2 404.507 2.413 20 0 HEADLO COc1ccccc1[C@H](CNC(=O)NCCS(=O)(=O)C(C)(C)C)[NH+]1CCCC1 ZINC000745292929 1077804849 /nfs/dbraw/zinc/80/48/49/1077804849.db2.gz JADLEBMFYBMPHU-KRWDZBQOSA-N 1 2 411.568 2.345 20 0 HEADLO CCc1nnc(C[N@@H+]2CCC[C@H](CNC(=O)[C@@H]3CCCN3C(=O)OC(C)(C)C)C2)[nH]1 ZINC000771769842 1079523827 /nfs/dbraw/zinc/52/38/27/1079523827.db2.gz VFBGTZHWJXIYKQ-CVEARBPZSA-N 1 2 420.558 2.095 20 0 HEADLO CCc1nnc(C[N@H+]2CCC[C@H](CNC(=O)[C@@H]3CCCN3C(=O)OC(C)(C)C)C2)[nH]1 ZINC000771769842 1079523836 /nfs/dbraw/zinc/52/38/36/1079523836.db2.gz VFBGTZHWJXIYKQ-CVEARBPZSA-N 1 2 420.558 2.095 20 0 HEADLO Cn1cc([C@H](O)C[C@H]2CCC[N@@H+]2[C@H](C(N)=O)c2cccc(Br)c2)cn1 ZINC000766965474 1079560662 /nfs/dbraw/zinc/56/06/62/1079560662.db2.gz ZYLVYWDKILADOW-ZACQAIPSSA-N 1 2 407.312 2.297 20 0 HEADLO Cn1cc([C@H](O)C[C@H]2CCC[N@H+]2[C@H](C(N)=O)c2cccc(Br)c2)cn1 ZINC000766965474 1079560670 /nfs/dbraw/zinc/56/06/70/1079560670.db2.gz ZYLVYWDKILADOW-ZACQAIPSSA-N 1 2 407.312 2.297 20 0 HEADLO COC(=O)/C=C1\SCC(=O)N1CCC[N@@H+]1CCO[C@@H](c2cccc(OC)c2)C1 ZINC000767073908 1079645804 /nfs/dbraw/zinc/64/58/04/1079645804.db2.gz GWKJEDLQYZZNGF-UEXNTNOUSA-N 1 2 406.504 2.048 20 0 HEADLO COC(=O)/C=C1\SCC(=O)N1CCC[N@H+]1CCO[C@@H](c2cccc(OC)c2)C1 ZINC000767073908 1079645816 /nfs/dbraw/zinc/64/58/16/1079645816.db2.gz GWKJEDLQYZZNGF-UEXNTNOUSA-N 1 2 406.504 2.048 20 0 HEADLO COc1ccc(OC)c([C@H]2CCCN2C(=O)COC(=O)C[N@H+](C)[C@@H]2CCSC2)c1 ZINC000767110871 1079663074 /nfs/dbraw/zinc/66/30/74/1079663074.db2.gz IXOFCSSLHUXING-CRAIPNDOSA-N 1 2 422.547 2.348 20 0 HEADLO COc1ccc(OC)c([C@H]2CCCN2C(=O)COC(=O)C[N@@H+](C)[C@@H]2CCSC2)c1 ZINC000767110871 1079663089 /nfs/dbraw/zinc/66/30/89/1079663089.db2.gz IXOFCSSLHUXING-CRAIPNDOSA-N 1 2 422.547 2.348 20 0 HEADLO C[C@H](OC(=O)C[N@H+](C)[C@H]1CCSC1)C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000772045998 1079668230 /nfs/dbraw/zinc/66/82/30/1079668230.db2.gz FGXUZJADMSNGBT-YOEHRIQHSA-N 1 2 405.520 2.121 20 0 HEADLO C[C@H](OC(=O)C[N@@H+](C)[C@H]1CCSC1)C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000772045998 1079668231 /nfs/dbraw/zinc/66/82/31/1079668231.db2.gz FGXUZJADMSNGBT-YOEHRIQHSA-N 1 2 405.520 2.121 20 0 HEADLO COc1ccc([C@H]2CCCN2C(=O)COC(=O)C[N@H+](C)[C@@H]2CCSC2)c(OC)c1 ZINC000767116893 1079683930 /nfs/dbraw/zinc/68/39/30/1079683930.db2.gz OANNSSQWPKOPAO-CRAIPNDOSA-N 1 2 422.547 2.348 20 0 HEADLO COc1ccc([C@H]2CCCN2C(=O)COC(=O)C[N@@H+](C)[C@@H]2CCSC2)c(OC)c1 ZINC000767116893 1079683949 /nfs/dbraw/zinc/68/39/49/1079683949.db2.gz OANNSSQWPKOPAO-CRAIPNDOSA-N 1 2 422.547 2.348 20 0 HEADLO O=C(C=C1CCSCC1)OCC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000772136381 1079723594 /nfs/dbraw/zinc/72/35/94/1079723594.db2.gz MWGOLSIYJYAOGF-UHFFFAOYSA-N 1 2 416.543 2.262 20 0 HEADLO NC(=O)c1cc(OC2CC[NH+](CC(=O)Nc3ccc(N4CCCC4)cc3)CC2)ccn1 ZINC000772329659 1079823464 /nfs/dbraw/zinc/82/34/64/1079823464.db2.gz PXMBKNSUYAUKKE-UHFFFAOYSA-N 1 2 423.517 2.263 20 0 HEADLO CN(C)c1ccc(N2C(=O)C[C@@H]([NH+]3CCC([C@](C)(O)C(F)(F)F)CC3)C2=O)cc1 ZINC000767359825 1079828618 /nfs/dbraw/zinc/82/86/18/1079828618.db2.gz IFEDQOFXNIDUOJ-APWZRJJASA-N 1 2 413.440 2.410 20 0 HEADLO NC(=O)c1ccccc1NC(=O)C[N@@H+]1CC[C@@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000772386372 1079857201 /nfs/dbraw/zinc/85/72/01/1079857201.db2.gz YXRAINNSKGABRF-CYBMUJFWSA-N 1 2 408.380 2.291 20 0 HEADLO NC(=O)c1ccccc1NC(=O)C[N@H+]1CC[C@@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000772386372 1079857202 /nfs/dbraw/zinc/85/72/02/1079857202.db2.gz YXRAINNSKGABRF-CYBMUJFWSA-N 1 2 408.380 2.291 20 0 HEADLO O=C(OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000767476628 1079895219 /nfs/dbraw/zinc/89/52/19/1079895219.db2.gz PWWUAKWMZQZZQW-XYPHTWIQSA-N 1 2 423.307 2.208 20 0 HEADLO O=C(OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000767476628 1079895222 /nfs/dbraw/zinc/89/52/22/1079895222.db2.gz PWWUAKWMZQZZQW-XYPHTWIQSA-N 1 2 423.307 2.208 20 0 HEADLO CCOc1cc(NC2CC[NH+](CN3C(=O)C[C@@](C)(c4ccccc4)C3=O)CC2)ncn1 ZINC000767522719 1079917910 /nfs/dbraw/zinc/91/79/10/1079917910.db2.gz IFWIGOMMSUFAGW-QHCPKHFHSA-N 1 2 423.517 2.426 20 0 HEADLO COC(=O)c1ccc(C(=O)OCC(=O)N2CC[NH+](Cc3cccs3)CC2)c(F)c1 ZINC000772533864 1079918456 /nfs/dbraw/zinc/91/84/56/1079918456.db2.gz YGPWVLCGJOBGEO-UHFFFAOYSA-N 1 2 420.462 2.175 20 0 HEADLO CCOc1cc(NC2CC[NH+](CN3C(=O)NC4(CCCCCC4)C3=O)CC2)ncn1 ZINC000767524826 1079919102 /nfs/dbraw/zinc/91/91/02/1079919102.db2.gz QEHBUXQOGGPIBA-UHFFFAOYSA-N 1 2 416.526 2.354 20 0 HEADLO CN(C)S(=O)(=O)c1ccc(C[NH+]2CCC(C(=O)Nc3ccc(O)cc3)CC2)o1 ZINC000741777248 1079921355 /nfs/dbraw/zinc/92/13/55/1079921355.db2.gz GDCDBAQMKXZMTB-UHFFFAOYSA-N 1 2 407.492 2.086 20 0 HEADLO Cc1occc1C(=O)Nc1nc(CC(=O)OCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)cs1 ZINC000767587306 1079971175 /nfs/dbraw/zinc/97/11/75/1079971175.db2.gz LWGBYNGFKIEQCB-GASCZTMLSA-N 1 2 405.476 2.246 20 0 HEADLO Cc1occc1C(=O)Nc1nc(CC(=O)OCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)cs1 ZINC000767587306 1079971184 /nfs/dbraw/zinc/97/11/84/1079971184.db2.gz LWGBYNGFKIEQCB-GASCZTMLSA-N 1 2 405.476 2.246 20 0 HEADLO O=C(Cc1cccs1)Nc1nc(CC(=O)OCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)cs1 ZINC000767586631 1079971247 /nfs/dbraw/zinc/97/12/47/1079971247.db2.gz KVJSZKFUFMAWNM-GASCZTMLSA-N 1 2 421.544 2.335 20 0 HEADLO O=C(Cc1cccs1)Nc1nc(CC(=O)OCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)cs1 ZINC000767586631 1079971257 /nfs/dbraw/zinc/97/12/57/1079971257.db2.gz KVJSZKFUFMAWNM-GASCZTMLSA-N 1 2 421.544 2.335 20 0 HEADLO CC1(c2ccc(S(=O)(=O)NCC[N@@H+]3CCc4ccccc4C3)cc2)OCCO1 ZINC000767706897 1080057569 /nfs/dbraw/zinc/05/75/69/1080057569.db2.gz VNKVJNYNZFZZRQ-UHFFFAOYSA-N 1 2 402.516 2.243 20 0 HEADLO CC1(c2ccc(S(=O)(=O)NCC[N@H+]3CCc4ccccc4C3)cc2)OCCO1 ZINC000767706897 1080057578 /nfs/dbraw/zinc/05/75/78/1080057578.db2.gz VNKVJNYNZFZZRQ-UHFFFAOYSA-N 1 2 402.516 2.243 20 0 HEADLO Cc1ccc(NC(=O)C[NH+]2CCN(c3ccc(NS(C)(=O)=O)cc3)CC2)cc1 ZINC000767745008 1080063127 /nfs/dbraw/zinc/06/31/27/1080063127.db2.gz DZPVQCQFQKGTGO-UHFFFAOYSA-N 1 2 402.520 2.127 20 0 HEADLO C[C@H](C(=O)N(C)c1ccccc1)[NH+]1CCN(c2ccc(NS(C)(=O)=O)cc2)CC1 ZINC000767755209 1080070850 /nfs/dbraw/zinc/07/08/50/1080070850.db2.gz YILSQVICTQLVSU-QGZVFWFLSA-N 1 2 416.547 2.232 20 0 HEADLO C[N@H+](CCOC(C)(C)C)CN1C(=O)N[C@@](C)(CCc2ccc3c(c2)OCO3)C1=O ZINC000767771601 1080080508 /nfs/dbraw/zinc/08/05/08/1080080508.db2.gz LABNCLXAUFVPPA-NRFANRHFSA-N 1 2 405.495 2.363 20 0 HEADLO C[N@@H+](CCOC(C)(C)C)CN1C(=O)N[C@@](C)(CCc2ccc3c(c2)OCO3)C1=O ZINC000767771601 1080080515 /nfs/dbraw/zinc/08/05/15/1080080515.db2.gz LABNCLXAUFVPPA-NRFANRHFSA-N 1 2 405.495 2.363 20 0 HEADLO COc1cc(S(=O)(=O)N(C)CC[NH+]2CCN(c3ccccc3)CC2)cnc1Cl ZINC000767784253 1080091188 /nfs/dbraw/zinc/09/11/88/1080091188.db2.gz KMOCWIOYCJJZNZ-UHFFFAOYSA-N 1 2 424.954 2.186 20 0 HEADLO C[C@]1(c2ccc(F)cc2Cl)NC(=O)N(C[N@@H+]2CCS[C@H]3COCC[C@H]32)C1=O ZINC000767787871 1080094359 /nfs/dbraw/zinc/09/43/59/1080094359.db2.gz WCDPENBEDAULHR-RVKKMQEKSA-N 1 2 413.902 2.410 20 0 HEADLO C[C@]1(c2ccc(F)cc2Cl)NC(=O)N(C[N@H+]2CCS[C@H]3COCC[C@H]32)C1=O ZINC000767787871 1080094368 /nfs/dbraw/zinc/09/43/68/1080094368.db2.gz WCDPENBEDAULHR-RVKKMQEKSA-N 1 2 413.902 2.410 20 0 HEADLO CCOC(C[NH+]1CCN(CC(=O)Nc2ccc(Br)cc2)CC1)OCC ZINC000767798943 1080102820 /nfs/dbraw/zinc/10/28/20/1080102820.db2.gz NGAWNKXEHHHEBD-UHFFFAOYSA-N 1 2 414.344 2.404 20 0 HEADLO CCOc1ccnc(N2CCC[N@H+](CN3C(=O)OC[C@@H]3Cc3ccccc3)CC2)n1 ZINC000767801694 1080106771 /nfs/dbraw/zinc/10/67/71/1080106771.db2.gz RLXCBMFCQYKGOA-IBGZPJMESA-N 1 2 411.506 2.408 20 0 HEADLO CCOc1ccnc(N2CCC[N@@H+](CN3C(=O)OC[C@@H]3Cc3ccccc3)CC2)n1 ZINC000767801694 1080106790 /nfs/dbraw/zinc/10/67/90/1080106790.db2.gz RLXCBMFCQYKGOA-IBGZPJMESA-N 1 2 411.506 2.408 20 0 HEADLO COC(=O)c1cc(S(=O)(=O)N(C)CCCn2cc[nH+]c2)ccc1Br ZINC000767849900 1080171239 /nfs/dbraw/zinc/17/12/39/1080171239.db2.gz NYPQDGKJECDKAD-UHFFFAOYSA-N 1 2 416.297 2.143 20 0 HEADLO CC(C)Oc1ccc(COC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1Cl ZINC000785664721 1080185881 /nfs/dbraw/zinc/18/58/81/1080185881.db2.gz UBSQMEARSDYMFG-QGZVFWFLSA-N 1 2 424.925 2.351 20 0 HEADLO C[C@H]1CC[C@H](C)[NH+]1CC(=O)OCC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000785731505 1080205116 /nfs/dbraw/zinc/20/51/16/1080205116.db2.gz XNHZTGSKKJZJRN-HOTGVXAUSA-N 1 2 408.520 2.070 20 0 HEADLO COc1ccc([C@@H](CNC(=O)N(CCS(C)(=O)=O)C(C)C)[NH+]2CCCC2)cc1 ZINC000767889120 1080205839 /nfs/dbraw/zinc/20/58/39/1080205839.db2.gz MIKAZBOFTLAELR-LJQANCHMSA-N 1 2 411.568 2.297 20 0 HEADLO CN(C(=O)C[N@H+](CCO)CCNC(=O)OC(C)(C)C)[C@H]1CCCc2ccccc21 ZINC000767922183 1080217104 /nfs/dbraw/zinc/21/71/04/1080217104.db2.gz GXMJMDOSOVMOJA-IBGZPJMESA-N 1 2 405.539 2.341 20 0 HEADLO CN(C(=O)C[N@@H+](CCO)CCNC(=O)OC(C)(C)C)[C@H]1CCCc2ccccc21 ZINC000767922183 1080217112 /nfs/dbraw/zinc/21/71/12/1080217112.db2.gz GXMJMDOSOVMOJA-IBGZPJMESA-N 1 2 405.539 2.341 20 0 HEADLO C[C@](O)(C1CC[NH+](CC(=O)Nc2ccc(N3CCOCC3)cc2)CC1)C(F)(F)F ZINC000767902864 1080222308 /nfs/dbraw/zinc/22/23/08/1080222308.db2.gz LTKBACLPMFONBB-IBGZPJMESA-N 1 2 415.456 2.487 20 0 HEADLO CC(C)n1cc2c(n1)[C@@H](NC(=O)Nc1cnn(CC[NH+]3CCOCC3)c1)CCC2 ZINC000780427425 1080246522 /nfs/dbraw/zinc/24/65/22/1080246522.db2.gz ROTMUZZILWPLOL-SFHVURJKSA-N 1 2 401.515 2.192 20 0 HEADLO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)c1ccccc1S(=O)(=O)C(F)(F)F ZINC000785815403 1080255468 /nfs/dbraw/zinc/25/54/68/1080255468.db2.gz JHTAYYVQYYRHDU-ZDUSSCGKSA-N 1 2 420.453 2.305 20 0 HEADLO C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)c1ccccc1S(=O)(=O)C(F)(F)F ZINC000785815403 1080255479 /nfs/dbraw/zinc/25/54/79/1080255479.db2.gz JHTAYYVQYYRHDU-ZDUSSCGKSA-N 1 2 420.453 2.305 20 0 HEADLO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)c1cc(S(C)(=O)=O)ccc1Cl ZINC000785825921 1080261245 /nfs/dbraw/zinc/26/12/45/1080261245.db2.gz PWMYVUADTXXATG-CYBMUJFWSA-N 1 2 400.928 2.069 20 0 HEADLO C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)c1cc(S(C)(=O)=O)ccc1Cl ZINC000785825921 1080261256 /nfs/dbraw/zinc/26/12/56/1080261256.db2.gz PWMYVUADTXXATG-CYBMUJFWSA-N 1 2 400.928 2.069 20 0 HEADLO C[C@](O)(C[N@@H+]1CCC[C@H](Oc2ncccc2F)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000785837519 1080265548 /nfs/dbraw/zinc/26/55/48/1080265548.db2.gz JIQPHCLRJVMRET-JXFKEZNVSA-N 1 2 408.495 2.375 20 0 HEADLO C[C@](O)(C[N@H+]1CCC[C@H](Oc2ncccc2F)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000785837519 1080265551 /nfs/dbraw/zinc/26/55/51/1080265551.db2.gz JIQPHCLRJVMRET-JXFKEZNVSA-N 1 2 408.495 2.375 20 0 HEADLO COc1cc2c(cc1NC(=O)C(=O)NCc1ccc(-n3cc[nH+]c3)cc1)NC(=O)CC2 ZINC000768065466 1080301874 /nfs/dbraw/zinc/30/18/74/1080301874.db2.gz IBRVQUYDMWSWOK-UHFFFAOYSA-N 1 2 419.441 2.021 20 0 HEADLO CC(C)(C)OC(=O)N1C[C@@H]([N@@H+]2CCOCC23CCC3)C[C@H]1C(=O)N1CCSC1 ZINC001170053806 1080351815 /nfs/dbraw/zinc/35/18/15/1080351815.db2.gz WULNDLJDOYRUFV-HOTGVXAUSA-N 1 2 411.568 2.152 20 0 HEADLO CC(C)(C)OC(=O)N1C[C@@H]([N@H+]2CCOCC23CCC3)C[C@H]1C(=O)N1CCSC1 ZINC001170053806 1080351818 /nfs/dbraw/zinc/35/18/18/1080351818.db2.gz WULNDLJDOYRUFV-HOTGVXAUSA-N 1 2 411.568 2.152 20 0 HEADLO CCOC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)C1 ZINC000768147526 1080354494 /nfs/dbraw/zinc/35/44/94/1080354494.db2.gz FWNVFBHKPGCYDM-QFBILLFUSA-N 1 2 409.490 2.324 20 0 HEADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)[C@]2(NC(=O)OCc3ccccc3)CCOC2)C1 ZINC000768129277 1080364488 /nfs/dbraw/zinc/36/44/88/1080364488.db2.gz UVRPQMWHXMHEPV-GCJKJVERSA-N 1 2 412.490 2.212 20 0 HEADLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)c2n[nH]c3c2CN(C(=O)OC(C)(C)C)CC3)C1 ZINC000768154506 1080373676 /nfs/dbraw/zinc/37/36/76/1080373676.db2.gz PNYAOVDFMMTPND-AWEZNQCLSA-N 1 2 414.510 2.456 20 0 HEADLO C[C@@H](CNC(=O)C1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H](C1)C2=O)Cn1cc[nH+]c1 ZINC000768173827 1080385062 /nfs/dbraw/zinc/38/50/62/1080385062.db2.gz JMRPLGABGBAFEX-XYTVBORESA-N 1 2 404.511 2.098 20 0 HEADLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)C2C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H](C2)C3=O)C1 ZINC000768325476 1080486576 /nfs/dbraw/zinc/48/65/76/1080486576.db2.gz HZRXQYVMDUNNTB-MGNMYUMUSA-N 1 2 416.522 2.198 20 0 HEADLO CCOC(=O)N1CCN(C(=O)CNc2cccc3c2CN(c2cccc[nH+]2)C3)CC1 ZINC000768387825 1080537737 /nfs/dbraw/zinc/53/77/37/1080537737.db2.gz JXJXYQCCOIWWQN-UHFFFAOYSA-N 1 2 409.490 2.314 20 0 HEADLO C[N@@H+]1CCN(C(=O)c2cc(Cc3ccccc3)n[nH]2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000786303099 1080545413 /nfs/dbraw/zinc/54/54/13/1080545413.db2.gz ZZFZGRYJNZCXOI-GOSISDBHSA-N 1 2 413.522 2.281 20 0 HEADLO C[N@H+]1CCN(C(=O)c2cc(Cc3ccccc3)n[nH]2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000786303099 1080545419 /nfs/dbraw/zinc/54/54/19/1080545419.db2.gz ZZFZGRYJNZCXOI-GOSISDBHSA-N 1 2 413.522 2.281 20 0 HEADLO Cc1cccc(-c2nnc(SCC(=O)N3CC[NH+](Cc4ccccc4)CC3)n2N)c1 ZINC000768440192 1080560701 /nfs/dbraw/zinc/56/07/01/1080560701.db2.gz STNYXRNBSGMCPR-UHFFFAOYSA-N 1 2 422.558 2.404 20 0 HEADLO Cc1cccc(-c2nnc(S[C@@H](C)C(=O)N3CCN(c4cccc[nH+]4)CC3)n2N)c1 ZINC000768441153 1080561102 /nfs/dbraw/zinc/56/11/02/1080561102.db2.gz BBNHERMIQZNWBW-INIZCTEOSA-N 1 2 423.546 2.192 20 0 HEADLO C[C@@H](c1nnc(SCN(C)S(C)(=O)=O)n1-c1ccc(Cl)cc1)[NH+](C)C ZINC000768417055 1080570672 /nfs/dbraw/zinc/57/06/72/1080570672.db2.gz PIMFURJZTAFNEN-NSHDSACASA-N 1 2 403.961 2.484 20 0 HEADLO COC(=O)c1cccc(NC(=O)N2CC[N@H+](C)C[C@@H]2CNC(=O)OC(C)(C)C)c1 ZINC000768497621 1080593348 /nfs/dbraw/zinc/59/33/48/1080593348.db2.gz JGTKCMOMMRQBTI-INIZCTEOSA-N 1 2 406.483 2.146 20 0 HEADLO COC(=O)c1cccc(NC(=O)N2CC[N@@H+](C)C[C@@H]2CNC(=O)OC(C)(C)C)c1 ZINC000768497621 1080593356 /nfs/dbraw/zinc/59/33/56/1080593356.db2.gz JGTKCMOMMRQBTI-INIZCTEOSA-N 1 2 406.483 2.146 20 0 HEADLO C[N@@H+]1CCN(C(=O)Nc2ccc(N3CCCC3)nc2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000768497926 1080593655 /nfs/dbraw/zinc/59/36/55/1080593655.db2.gz KRAJUSQZFRUGDI-KRWDZBQOSA-N 1 2 418.542 2.354 20 0 HEADLO C[N@H+]1CCN(C(=O)Nc2ccc(N3CCCC3)nc2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000768497926 1080593666 /nfs/dbraw/zinc/59/36/66/1080593666.db2.gz KRAJUSQZFRUGDI-KRWDZBQOSA-N 1 2 418.542 2.354 20 0 HEADLO CCOC(=O)c1ccc(Br)c(S(=O)(=O)N2C[C@H](C)[N@H+](C)C[C@H]2C)c1 ZINC000768562570 1080632438 /nfs/dbraw/zinc/63/24/38/1080632438.db2.gz OPUZDMJCBZSPRN-NWDGAFQWSA-N 1 2 419.341 2.339 20 0 HEADLO CCOC(=O)c1ccc(Br)c(S(=O)(=O)N2C[C@H](C)[N@@H+](C)C[C@H]2C)c1 ZINC000768562570 1080632442 /nfs/dbraw/zinc/63/24/42/1080632442.db2.gz OPUZDMJCBZSPRN-NWDGAFQWSA-N 1 2 419.341 2.339 20 0 HEADLO CC(C)[C@@H](CNC(=O)C(=O)NCCc1ccc(-c2ccccc2)cc1)[NH+]1CCOCC1 ZINC000786456934 1080638189 /nfs/dbraw/zinc/63/81/89/1080638189.db2.gz DUYFEKHCJBVMLN-HSZRJFAPSA-N 1 2 423.557 2.485 20 0 HEADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)C(=O)N1CCC([C@@H](O)c2ccccc2)CC1 ZINC000786505827 1080663119 /nfs/dbraw/zinc/66/31/19/1080663119.db2.gz QWNLKRDNCPAIJL-QFIPXVFZSA-N 1 2 422.529 2.270 20 0 HEADLO CC(C)(C)OC(=O)N1C[C@H]2CC(C(=O)NCCNc3cccc[nH+]3)C[C@@H](C1)C2=O ZINC000768690550 1080711629 /nfs/dbraw/zinc/71/16/29/1080711629.db2.gz MXSNPVVJAODPDH-MQVJKMGUSA-N 1 2 402.495 2.072 20 0 HEADLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)C(=O)Nc1cnn(-c2ccccc2F)c1 ZINC000768721144 1080737735 /nfs/dbraw/zinc/73/77/35/1080737735.db2.gz OYMIOOCZKBFBQQ-UHFFFAOYSA-N 1 2 404.405 2.452 20 0 HEADLO O=C([C@H]1CCc2[nH+]ccn2C1)N1CCN(c2c(F)c(F)c(F)c(F)c2F)CC1 ZINC000786694689 1080760844 /nfs/dbraw/zinc/76/08/44/1080760844.db2.gz AEFKSZUZWPNDNQ-JTQLQIEISA-N 1 2 400.351 2.490 20 0 HEADLO Cc1cccc([C@@H](O)CNC(=O)C(=O)Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)c1 ZINC000768740868 1080765373 /nfs/dbraw/zinc/76/53/73/1080765373.db2.gz ZWXNNAJIVAGPPQ-UWJYYQICSA-N 1 2 411.502 2.177 20 0 HEADLO CN(CC[N@H+](C)CC(=O)Nc1ccccc1C(=O)NC1CC1)C(=O)OC(C)(C)C ZINC000768742949 1080767281 /nfs/dbraw/zinc/76/72/81/1080767281.db2.gz FHYQWRUUWJMAKX-UHFFFAOYSA-N 1 2 404.511 2.316 20 0 HEADLO CN(CC[N@@H+](C)CC(=O)Nc1ccccc1C(=O)NC1CC1)C(=O)OC(C)(C)C ZINC000768742949 1080767287 /nfs/dbraw/zinc/76/72/87/1080767287.db2.gz FHYQWRUUWJMAKX-UHFFFAOYSA-N 1 2 404.511 2.316 20 0 HEADLO O=C(COC(=O)c1coc(C2CCOCC2)n1)N1CC[NH+](Cc2cccs2)CC1 ZINC000786713640 1080767925 /nfs/dbraw/zinc/76/79/25/1080767925.db2.gz SQNNRXBLLYJDEQ-UHFFFAOYSA-N 1 2 419.503 2.131 20 0 HEADLO CC(C)Oc1cccc(CNC(=O)C(=O)NCC[N@@H+]2CCc3sccc3C2)c1 ZINC000786846493 1080847755 /nfs/dbraw/zinc/84/77/55/1080847755.db2.gz YUOFGPJHFNGADD-UHFFFAOYSA-N 1 2 401.532 2.326 20 0 HEADLO CC(C)Oc1cccc(CNC(=O)C(=O)NCC[N@H+]2CCc3sccc3C2)c1 ZINC000786846493 1080847758 /nfs/dbraw/zinc/84/77/58/1080847758.db2.gz YUOFGPJHFNGADD-UHFFFAOYSA-N 1 2 401.532 2.326 20 0 HEADLO CCc1nn(C)c(CC)c1C[N@H+](C)CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000768990651 1080877444 /nfs/dbraw/zinc/87/74/44/1080877444.db2.gz IAAMMBXFTBHMEC-UHFFFAOYSA-N 1 2 407.559 2.056 20 0 HEADLO CCc1nn(C)c(CC)c1C[N@@H+](C)CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000768990651 1080877445 /nfs/dbraw/zinc/87/74/45/1080877445.db2.gz IAAMMBXFTBHMEC-UHFFFAOYSA-N 1 2 407.559 2.056 20 0 HEADLO CC(C)(C)OC(=O)NCC(C)(C)NC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000769019072 1080885718 /nfs/dbraw/zinc/88/57/18/1080885718.db2.gz CNGKSHSRDJHAMK-SFHVURJKSA-N 1 2 420.554 2.490 20 0 HEADLO CC(C)(C)OC(=O)NCC(C)(C)NC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000769019072 1080885719 /nfs/dbraw/zinc/88/57/19/1080885719.db2.gz CNGKSHSRDJHAMK-SFHVURJKSA-N 1 2 420.554 2.490 20 0 HEADLO O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)OCc1csc(-c2ccco2)n1 ZINC000786999991 1080913777 /nfs/dbraw/zinc/91/37/77/1080913777.db2.gz JVTJDWYZKIBWEP-QGZVFWFLSA-N 1 2 419.503 2.160 20 0 HEADLO O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)OCc1ncc(Cl)cc1Cl ZINC000787002627 1080915143 /nfs/dbraw/zinc/91/51/43/1080915143.db2.gz UQUUCVRIHLSGGV-INIZCTEOSA-N 1 2 416.305 2.145 20 0 HEADLO O=C(NCc1nc(-c2ccccc2)n[nH]1)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000769121770 1080942745 /nfs/dbraw/zinc/94/27/45/1080942745.db2.gz TWWSMQPQSZNUMK-PMACEKPBSA-N 1 2 420.517 2.154 20 0 HEADLO O=C(NCc1nc(-c2ccccc2)n[nH]1)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC000769121770 1080942756 /nfs/dbraw/zinc/94/27/56/1080942756.db2.gz TWWSMQPQSZNUMK-PMACEKPBSA-N 1 2 420.517 2.154 20 0 HEADLO COC(=O)COc1ccc(NC(=O)C[NH+]2CCC(NC(=O)OC(C)(C)C)CC2)cc1 ZINC000769121476 1080943050 /nfs/dbraw/zinc/94/30/50/1080943050.db2.gz GKHASOYDDZXOIM-UHFFFAOYSA-N 1 2 421.494 2.166 20 0 HEADLO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)c2nc(NCc3ccco3)ncc2Cl)CC1 ZINC000746619724 1080945789 /nfs/dbraw/zinc/94/57/89/1080945789.db2.gz SUWMSJLDZZCDSW-CYBMUJFWSA-N 1 2 421.885 2.045 20 0 HEADLO CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000769144574 1080959091 /nfs/dbraw/zinc/95/90/91/1080959091.db2.gz WFOMGWKZVROQEU-JXFKEZNVSA-N 1 2 415.600 2.250 20 0 HEADLO CC(C)(C)OC(=O)c1ccccc1OCC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000769207673 1081002433 /nfs/dbraw/zinc/00/24/33/1081002433.db2.gz YIUNAFXIUKZMAS-IBGZPJMESA-N 1 2 404.507 2.344 20 0 HEADLO O=C(NCc1cccc(OCC[NH+]2CCOCC2)c1)Nc1cnn(-c2ccccc2)n1 ZINC000769214348 1081004833 /nfs/dbraw/zinc/00/48/33/1081004833.db2.gz ZNSBQYSMIJKESU-UHFFFAOYSA-N 1 2 422.489 2.300 20 0 HEADLO COC(=O)CC1(CC(=O)N2CC[N@H+](C)C[C@@H]2CNC(=O)OC(C)(C)C)CCCC1 ZINC000787111923 1081005131 /nfs/dbraw/zinc/00/51/31/1081005131.db2.gz AKWGFWWTXSBYHQ-INIZCTEOSA-N 1 2 411.543 2.167 20 0 HEADLO COC(=O)CC1(CC(=O)N2CC[N@@H+](C)C[C@@H]2CNC(=O)OC(C)(C)C)CCCC1 ZINC000787111923 1081005140 /nfs/dbraw/zinc/00/51/40/1081005140.db2.gz AKWGFWWTXSBYHQ-INIZCTEOSA-N 1 2 411.543 2.167 20 0 HEADLO COc1cccc(CC(=O)N2CC[NH+]([C@@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)c1 ZINC000769299457 1081034492 /nfs/dbraw/zinc/03/44/92/1081034492.db2.gz OTQNLFGWHVFAFQ-GOSISDBHSA-N 1 2 403.523 2.391 20 0 HEADLO CC(C)(C)OC(=O)N1CC[C@@H]([NH+]2CCN(C[C@H](O)COc3ccccc3)CC2)C1 ZINC000769368143 1081055121 /nfs/dbraw/zinc/05/51/21/1081055121.db2.gz DQLAHUJJAIOYMX-MOPGFXCFSA-N 1 2 405.539 2.053 20 0 HEADLO CC(C)(C)OC(=O)N1CC[C@@H]([NH+]2CCN(C[C@@H](O)COc3ccccc3)CC2)C1 ZINC000769368151 1081055316 /nfs/dbraw/zinc/05/53/16/1081055316.db2.gz DQLAHUJJAIOYMX-RTBURBONSA-N 1 2 405.539 2.053 20 0 HEADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)N1CCC(CNC(=O)OCc2ccccc2)CC1 ZINC000787192605 1081056745 /nfs/dbraw/zinc/05/67/45/1081056745.db2.gz UCIPGXWMNQCGFF-GOSISDBHSA-N 1 2 418.538 2.055 20 0 HEADLO C[C@@H]1COCC[N@H+]1CCNC(=O)N1CCC(CNC(=O)OCc2ccccc2)CC1 ZINC000787192605 1081056756 /nfs/dbraw/zinc/05/67/56/1081056756.db2.gz UCIPGXWMNQCGFF-GOSISDBHSA-N 1 2 418.538 2.055 20 0 HEADLO C[C@H](C[NH+]1CCOCC1)OC(=O)CCOc1cccc(I)c1 ZINC000787247691 1081069975 /nfs/dbraw/zinc/06/99/75/1081069975.db2.gz KWITWBMZNPIEAA-CYBMUJFWSA-N 1 2 419.259 2.324 20 0 HEADLO COc1cc(CN2CC[NH+](CC[S@@](C)=O)CC2)ccc1OCc1ccncc1 ZINC000769479308 1081077712 /nfs/dbraw/zinc/07/77/12/1081077712.db2.gz HKPHACIANRNGEZ-MUUNZHRXSA-N 1 2 403.548 2.165 20 0 HEADLO COc1cc(CNC(=O)C(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)ccc1OC(C)C ZINC000787230832 1081079632 /nfs/dbraw/zinc/07/96/32/1081079632.db2.gz ARTZXSSHAIQHPX-LJQANCHMSA-N 1 2 411.502 2.402 20 0 HEADLO COc1cc(CNC(=O)C(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)ccc1OC(C)C ZINC000787230832 1081079644 /nfs/dbraw/zinc/07/96/44/1081079644.db2.gz ARTZXSSHAIQHPX-LJQANCHMSA-N 1 2 411.502 2.402 20 0 HEADLO COC(=O)c1cccc(NC(=O)C[N@@H+]2CC[C@@H](NC(=O)OC(C)(C)C)C[C@@H]2C)n1 ZINC000787269818 1081102014 /nfs/dbraw/zinc/10/20/14/1081102014.db2.gz RJNKNLKKROLFIR-UONOGXRCSA-N 1 2 406.483 2.184 20 0 HEADLO COC(=O)c1cccc(NC(=O)C[N@H+]2CC[C@@H](NC(=O)OC(C)(C)C)C[C@@H]2C)n1 ZINC000787269818 1081102016 /nfs/dbraw/zinc/10/20/16/1081102016.db2.gz RJNKNLKKROLFIR-UONOGXRCSA-N 1 2 406.483 2.184 20 0 HEADLO CCOc1cc(C[N@H+](C)CC(C)(C)S(C)(=O)=O)ccc1O[C@H](C)C(=O)N(C)C ZINC000769519080 1081105486 /nfs/dbraw/zinc/10/54/86/1081105486.db2.gz JERILFCOKUMAQO-OAHLLOKOSA-N 1 2 414.568 2.196 20 0 HEADLO CCOc1cc(C[N@@H+](C)CC(C)(C)S(C)(=O)=O)ccc1O[C@H](C)C(=O)N(C)C ZINC000769519080 1081105490 /nfs/dbraw/zinc/10/54/90/1081105490.db2.gz JERILFCOKUMAQO-OAHLLOKOSA-N 1 2 414.568 2.196 20 0 HEADLO COCCN1CC[N@H+](C)C2(CCN(c3cc(Oc4ccccc4)ncn3)CC2)C1=O ZINC001164636794 719270374 /nfs/dbraw/zinc/27/03/74/719270374.db2.gz XFYQQXFRGQQCAL-UHFFFAOYSA-N 1 2 411.506 2.028 20 0 HEADLO COCCN1CC[N@@H+](C)C2(CCN(c3cc(Oc4ccccc4)ncn3)CC2)C1=O ZINC001164636794 719270375 /nfs/dbraw/zinc/27/03/75/719270375.db2.gz XFYQQXFRGQQCAL-UHFFFAOYSA-N 1 2 411.506 2.028 20 0 HEADLO COCCN1CC[N@H+](C)C2(CCN(c3cc4nc(Cl)cnc4cc3F)CC2)C1=O ZINC001164644539 719282641 /nfs/dbraw/zinc/28/26/41/719282641.db2.gz NNOKXXNGFCRAFZ-UHFFFAOYSA-N 1 2 421.904 2.182 20 0 HEADLO COCCN1CC[N@@H+](C)C2(CCN(c3cc4nc(Cl)cnc4cc3F)CC2)C1=O ZINC001164644539 719282645 /nfs/dbraw/zinc/28/26/45/719282645.db2.gz NNOKXXNGFCRAFZ-UHFFFAOYSA-N 1 2 421.904 2.182 20 0 HEADLO Cc1cc2c(c(N3CCC4(CC3)COCC[N@@H+]4Cc3ccc(F)cc3)n1)C(=O)NC2=O ZINC001164673992 719520950 /nfs/dbraw/zinc/52/09/50/719520950.db2.gz XKVXKNUKLGZYIN-UHFFFAOYSA-N 1 2 424.476 2.284 20 0 HEADLO Cc1cc2c(c(N3CCC4(CC3)COCC[N@H+]4Cc3ccc(F)cc3)n1)C(=O)NC2=O ZINC001164673992 719520954 /nfs/dbraw/zinc/52/09/54/719520954.db2.gz XKVXKNUKLGZYIN-UHFFFAOYSA-N 1 2 424.476 2.284 20 0 HEADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(SC)ncc1Cl ZINC001164703333 719844354 /nfs/dbraw/zinc/84/43/54/719844354.db2.gz QNXKJDJUDHKYSP-SJKOYZFVSA-N 1 2 400.932 2.085 20 0 HEADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(Cl)nc2c1COC2(C)C ZINC001164706492 719848281 /nfs/dbraw/zinc/84/82/81/719848281.db2.gz XMINDKFUWBAXHD-RBZFPXEDSA-N 1 2 424.929 2.128 20 0 HEADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(Cl)nc2c1CSC2 ZINC001164697203 719848285 /nfs/dbraw/zinc/84/82/85/719848285.db2.gz BPYBXNFMGAAPJF-XIKOKIGWSA-N 1 2 412.943 2.110 20 0 HEADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncc2c(n1)-c1ccccc1CC2 ZINC001164707416 719863941 /nfs/dbraw/zinc/86/39/41/719863941.db2.gz SEXZGGQZBMVRFF-DVECYGJZSA-N 1 2 422.529 2.475 20 0 HEADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(Cl)cnc1SC ZINC001164708172 719865974 /nfs/dbraw/zinc/86/59/74/719865974.db2.gz XXLOYVPBUZUWHY-SJKOYZFVSA-N 1 2 400.932 2.085 20 0 HEADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc(-c2cccs2)ncn1 ZINC001164707447 719870951 /nfs/dbraw/zinc/87/09/51/719870951.db2.gz SRYCEAATVLNVPO-FOIQADDNSA-N 1 2 402.520 2.438 20 0 HEADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc(COC2CCC2)cn1 ZINC001164708436 719875785 /nfs/dbraw/zinc/87/57/85/719875785.db2.gz ZFCVHHCRASYBCY-GCJKJVERSA-N 1 2 403.523 2.383 20 0 HEADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1cc3ccc(F)cc3cn1)CC2 ZINC001164708303 719929579 /nfs/dbraw/zinc/92/95/79/719929579.db2.gz IGMBDHQETGUXMT-UHFFFAOYSA-N 1 2 408.481 2.058 20 0 HEADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4cc(Cl)ncn4)CC3)C2=O)cs1 ZINC001164823534 720356515 /nfs/dbraw/zinc/35/65/15/720356515.db2.gz GTDVLWBDRZMVHM-UHFFFAOYSA-N 1 2 406.943 2.208 20 0 HEADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4cc(Cl)ncn4)CC3)C2=O)cs1 ZINC001164823534 720356524 /nfs/dbraw/zinc/35/65/24/720356524.db2.gz GTDVLWBDRZMVHM-UHFFFAOYSA-N 1 2 406.943 2.208 20 0 HEADLO Cc1nc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)ccc1Cl ZINC001164822461 720445585 /nfs/dbraw/zinc/44/55/85/720445585.db2.gz FKSFZPAEWXBPDM-INIZCTEOSA-N 1 2 405.930 2.230 20 0 HEADLO Cc1cc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)nc2[nH]ccc21 ZINC001164830726 720461902 /nfs/dbraw/zinc/46/19/02/720461902.db2.gz LNHQIUUIUCIKEU-QGZVFWFLSA-N 1 2 410.522 2.057 20 0 HEADLO Cc1nnc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)c2ccccc12 ZINC001164830749 720470109 /nfs/dbraw/zinc/47/01/09/720470109.db2.gz LRZPJLHALWPHIS-SFHVURJKSA-N 1 2 422.533 2.124 20 0 HEADLO Cc1cc2cccnc2c(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164830368 720477467 /nfs/dbraw/zinc/47/74/67/720477467.db2.gz AUIMTYYZLJKCMK-LJQANCHMSA-N 1 2 422.533 2.124 20 0 HEADLO Cc1nc2cnc(N3CCC[C@@]4(C3)COCC[N@H+](Cc3c(C)noc3C)C4)nc2[nH]1 ZINC001164787090 721360812 /nfs/dbraw/zinc/36/08/12/721360812.db2.gz YWRQEEBAYURSHP-OAQYLSRUSA-N 1 2 411.510 2.337 20 0 HEADLO Cc1nc2cnc(N3CCC[C@@]4(C3)COCC[N@@H+](Cc3c(C)noc3C)C4)nc2[nH]1 ZINC001164787090 721360818 /nfs/dbraw/zinc/36/08/18/721360818.db2.gz YWRQEEBAYURSHP-OAQYLSRUSA-N 1 2 411.510 2.337 20 0 HEADLO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4nc5nc[nH]c5cc4Cl)C3)O2)CC1 ZINC001164890359 721420586 /nfs/dbraw/zinc/42/05/86/721420586.db2.gz SFJKTDVITCOQLZ-MGPUTAFESA-N 1 2 404.946 2.377 20 0 HEADLO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4nc5[nH]cnc5cc4Cl)C3)O2)CC1 ZINC001164890359 721420587 /nfs/dbraw/zinc/42/05/87/721420587.db2.gz SFJKTDVITCOQLZ-MGPUTAFESA-N 1 2 404.946 2.377 20 0 HEADLO NC(=O)c1cc(Cl)ncc1C(F)(F)N1C[C@H]2C[NH+](Cc3nccs3)C[C@@H]2C1 ZINC001164781851 721422877 /nfs/dbraw/zinc/42/28/77/721422877.db2.gz FMDNTUCHFDACDY-GHMZBOCLSA-N 1 2 413.881 2.404 20 0 HEADLO Cc1cc(NC(=O)c2cccnc2N2CCCn3c(C[N@@H+](C)C(C)C)nnc3C2)no1 ZINC001165008599 721712240 /nfs/dbraw/zinc/71/22/40/721712240.db2.gz IEBCJUACCNNRHE-UHFFFAOYSA-N 1 2 424.509 2.472 20 0 HEADLO Cc1cc(NC(=O)c2cccnc2N2CCCn3c(C[N@H+](C)C(C)C)nnc3C2)no1 ZINC001165008599 721712241 /nfs/dbraw/zinc/71/22/41/721712241.db2.gz IEBCJUACCNNRHE-UHFFFAOYSA-N 1 2 424.509 2.472 20 0 HEADLO Cn1cc(C(=O)N[C@@H]2C[N@@H+](C(C)(C)c3ccnc(Cl)c3)[C@H]3CCCO[C@H]23)cn1 ZINC001165013751 721758712 /nfs/dbraw/zinc/75/87/12/721758712.db2.gz RVBBBOLYISMVMV-SOLBZPMBSA-N 1 2 403.914 2.365 20 0 HEADLO Cn1cc(C(=O)N[C@@H]2C[N@H+](C(C)(C)c3ccnc(Cl)c3)[C@H]3CCCO[C@H]23)cn1 ZINC001165013751 721758717 /nfs/dbraw/zinc/75/87/17/721758717.db2.gz RVBBBOLYISMVMV-SOLBZPMBSA-N 1 2 403.914 2.365 20 0 HEADLO CCc1ncnc(Cl)c1N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164911612 721771993 /nfs/dbraw/zinc/77/19/93/721771993.db2.gz HTKZFAURWRBZGC-HXUWFJFHSA-N 1 2 403.914 2.195 20 0 HEADLO CCc1ncnc(Cl)c1N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164911612 721771996 /nfs/dbraw/zinc/77/19/96/721771996.db2.gz HTKZFAURWRBZGC-HXUWFJFHSA-N 1 2 403.914 2.195 20 0 HEADLO COc1cc(Cl)ncc1N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164912457 721776966 /nfs/dbraw/zinc/77/69/66/721776966.db2.gz MCHGRKOOTLGDFK-FQEVSTJZSA-N 1 2 404.898 2.246 20 0 HEADLO COc1cc(Cl)ncc1N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164912457 721776969 /nfs/dbraw/zinc/77/69/69/721776969.db2.gz MCHGRKOOTLGDFK-FQEVSTJZSA-N 1 2 404.898 2.246 20 0 HEADLO COc1cc(Cl)nc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c1 ZINC001164912854 721780354 /nfs/dbraw/zinc/78/03/54/721780354.db2.gz QVRHCVWYDDLZCE-HXUWFJFHSA-N 1 2 404.898 2.246 20 0 HEADLO COc1cc(Cl)nc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c1 ZINC001164912854 721780358 /nfs/dbraw/zinc/78/03/58/721780358.db2.gz QVRHCVWYDDLZCE-HXUWFJFHSA-N 1 2 404.898 2.246 20 0 HEADLO COc1ccc2ncc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)nc2c1 ZINC001164914927 721783388 /nfs/dbraw/zinc/78/33/88/721783388.db2.gz IEXZCHXGKAAGBH-QHCPKHFHSA-N 1 2 421.501 2.141 20 0 HEADLO COc1ccc2ncc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)nc2c1 ZINC001164914927 721783394 /nfs/dbraw/zinc/78/33/94/721783394.db2.gz IEXZCHXGKAAGBH-QHCPKHFHSA-N 1 2 421.501 2.141 20 0 HEADLO COc1nc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)ccc1Cl ZINC001164916982 721790800 /nfs/dbraw/zinc/79/08/00/721790800.db2.gz UNBLSTWZCUFUQQ-FQEVSTJZSA-N 1 2 404.898 2.246 20 0 HEADLO COc1nc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)ccc1Cl ZINC001164916982 721790807 /nfs/dbraw/zinc/79/08/07/721790807.db2.gz UNBLSTWZCUFUQQ-FQEVSTJZSA-N 1 2 404.898 2.246 20 0 HEADLO CCCSc1cncc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164913875 721796168 /nfs/dbraw/zinc/79/61/68/721796168.db2.gz HXVQMCDUQVGEJC-OAQYLSRUSA-N 1 2 415.563 2.482 20 0 HEADLO CCCSc1cncc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164913875 721796173 /nfs/dbraw/zinc/79/61/73/721796173.db2.gz HXVQMCDUQVGEJC-OAQYLSRUSA-N 1 2 415.563 2.482 20 0 HEADLO COC(=O)c1ccc2cnc(N3CCC4(CC3)c3[nH+]cc(C)n3CCN4C)nc2c1 ZINC001164919492 721813459 /nfs/dbraw/zinc/81/34/59/721813459.db2.gz YIGULSKSGUUFSQ-UHFFFAOYSA-N 1 2 406.490 2.362 20 0 HEADLO CON(C)C(=O)c1cc(Cl)nc(N2CCC3(CC2)c2[nH+]cc(C)n2CCN3C)c1 ZINC001164918399 721816174 /nfs/dbraw/zinc/81/61/74/721816174.db2.gz VXSNWLJITLJWTI-UHFFFAOYSA-N 1 2 418.929 2.314 20 0 HEADLO CCOC(=O)c1ccc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)nc1 ZINC001164942939 721969211 /nfs/dbraw/zinc/96/92/11/721969211.db2.gz DQYPBSMXMTUFKB-UHFFFAOYSA-N 1 2 408.502 2.229 20 0 HEADLO CCOC(=O)c1ccc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)nc1 ZINC001164942939 721969213 /nfs/dbraw/zinc/96/92/13/721969213.db2.gz DQYPBSMXMTUFKB-UHFFFAOYSA-N 1 2 408.502 2.229 20 0 HEADLO Clc1nnc(Cl)c(N2CC[NH+](CCc3ccccn3)CC2)c1N1CCOCC1 ZINC001165056481 722020847 /nfs/dbraw/zinc/02/08/47/722020847.db2.gz XREDAPICLXAWOT-UHFFFAOYSA-N 1 2 423.348 2.380 20 0 HEADLO Cn1ccnc1C(=O)N[C@@H]1C[N@@H+](C(C)(C)c2ccnc(Cl)c2)[C@@H]2CCCO[C@H]12 ZINC001164984968 722093850 /nfs/dbraw/zinc/09/38/50/722093850.db2.gz YHMNDQZNAINLKJ-BFYDXBDKSA-N 1 2 403.914 2.365 20 0 HEADLO Cn1ccnc1C(=O)N[C@@H]1C[N@H+](C(C)(C)c2ccnc(Cl)c2)[C@@H]2CCCO[C@H]12 ZINC001164984968 722093852 /nfs/dbraw/zinc/09/38/52/722093852.db2.gz YHMNDQZNAINLKJ-BFYDXBDKSA-N 1 2 403.914 2.365 20 0 HEADLO COc1ccccc1COC1CC[NH+](CN2C(=O)C(=O)N(CC(C)C)C2=O)CC1 ZINC000769652702 1078487963 /nfs/dbraw/zinc/48/79/63/1078487963.db2.gz OLVFACRIWITHQS-UHFFFAOYSA-N 1 2 403.479 2.081 20 0 HEADLO CCN(CC1CCN(C(=O)N[C@H](C)C[NH+]2CCOCC2)CC1)C(=O)OC(C)(C)C ZINC000745501492 1078516840 /nfs/dbraw/zinc/51/68/40/1078516840.db2.gz MTCJHVOPSGQKRY-QGZVFWFLSA-N 1 2 412.575 2.386 20 0 HEADLO CC1(C)C[N@H+](CCNC(=O)c2cc(NC(=O)OCC(F)(F)F)ccc2O)CCO1 ZINC000769746739 1078557582 /nfs/dbraw/zinc/55/75/82/1078557582.db2.gz NYJRTPVJTHNPGB-UHFFFAOYSA-N 1 2 419.400 2.344 20 0 HEADLO CC1(C)C[N@@H+](CCNC(=O)c2cc(NC(=O)OCC(F)(F)F)ccc2O)CCO1 ZINC000769746739 1078557590 /nfs/dbraw/zinc/55/75/90/1078557590.db2.gz NYJRTPVJTHNPGB-UHFFFAOYSA-N 1 2 419.400 2.344 20 0 HEADLO CCOCC[NH+]1CCN(C(=O)c2cc(NC(=O)OCC(F)(F)F)ccc2O)CC1 ZINC000769806477 1078570904 /nfs/dbraw/zinc/57/09/04/1078570904.db2.gz URTIAHMNRPQBEZ-UHFFFAOYSA-N 1 2 419.400 2.297 20 0 HEADLO O=C(C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[C@@H]3O[C@H]1[C@H]1C[C@H]13)C2)NCCC1=CCCCC1 ZINC001109538802 1078603733 /nfs/dbraw/zinc/60/37/33/1078603733.db2.gz UAXAFKUCVVFDIB-KSZDVZKTSA-N 1 2 413.562 2.138 20 0 HEADLO O=C(C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[C@@H]3O[C@H]1[C@H]1C[C@H]13)C2)NCCC1=CCCCC1 ZINC001109538802 1078603741 /nfs/dbraw/zinc/60/37/41/1078603741.db2.gz UAXAFKUCVVFDIB-KSZDVZKTSA-N 1 2 413.562 2.138 20 0 HEADLO C[C@@H](NC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1)c1cccc(N2CCOC2=O)c1 ZINC000745781442 1078640270 /nfs/dbraw/zinc/64/02/70/1078640270.db2.gz OHJLLHQBYAJOKO-VQIMIIECSA-N 1 2 402.495 2.210 20 0 HEADLO CC(C)CNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[C@@H]3CCCC[C@H]13)C2 ZINC001109545672 1078645323 /nfs/dbraw/zinc/64/53/23/1078645323.db2.gz HYTUGTMINJKOPV-WXJALIKYSA-N 1 2 404.555 2.016 20 0 HEADLO CC(C)CNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[C@@H]3CCCC[C@H]13)C2 ZINC001109545672 1078645326 /nfs/dbraw/zinc/64/53/26/1078645326.db2.gz HYTUGTMINJKOPV-WXJALIKYSA-N 1 2 404.555 2.016 20 0 HEADLO CCN(C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1)[C@H](C)CS(C)(=O)=O ZINC000745869389 1078668548 /nfs/dbraw/zinc/66/85/48/1078668548.db2.gz DZTRIMHFDLVVCW-MRXNPFEDSA-N 1 2 410.584 2.186 20 0 HEADLO C[C@H]([C@H](C)N(C)C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1)S(C)(=O)=O ZINC000745870139 1078668577 /nfs/dbraw/zinc/66/85/77/1078668577.db2.gz PRMRLFBMYKRIFM-JKSUJKDBSA-N 1 2 410.584 2.184 20 0 HEADLO CC[N@@H+]1CCO[C@@H](C(=O)Oc2ccc(N(C)S(=O)(=O)c3ccccc3F)cc2)C1 ZINC000746105342 1078787574 /nfs/dbraw/zinc/78/75/74/1078787574.db2.gz IQEDCXVTSHCWFZ-GOSISDBHSA-N 1 2 422.478 2.277 20 0 HEADLO CC[N@H+]1CCO[C@@H](C(=O)Oc2ccc(N(C)S(=O)(=O)c3ccccc3F)cc2)C1 ZINC000746105342 1078787584 /nfs/dbraw/zinc/78/75/84/1078787584.db2.gz IQEDCXVTSHCWFZ-GOSISDBHSA-N 1 2 422.478 2.277 20 0 HEADLO CC(C)(C)OC(=O)N1CC(CC(=O)N2CC[NH+](CCOc3ccccc3)CC2)C1 ZINC000746101032 1078786608 /nfs/dbraw/zinc/78/66/08/1078786608.db2.gz PWABEPPZEQKAQC-UHFFFAOYSA-N 1 2 403.523 2.467 20 0 HEADLO C[C@@H](NC(=O)C1(NC(=O)OC(C)(C)C)Cc2ccccc2C1)[C@@H](C)[NH+]1CCOCC1 ZINC000746224564 1078826273 /nfs/dbraw/zinc/82/62/73/1078826273.db2.gz PLALOOZXWUJACD-IAGOWNOFSA-N 1 2 417.550 2.274 20 0 HEADLO CC(C)(C)OC(=O)NC1(C(=O)NCC[N@@H+]2CCOCC2(C)C)Cc2ccccc2C1 ZINC000746213536 1078823611 /nfs/dbraw/zinc/82/36/11/1078823611.db2.gz SFSZZTYKPATTNR-UHFFFAOYSA-N 1 2 417.550 2.276 20 0 HEADLO CC(C)(C)OC(=O)NC1(C(=O)NCC[N@H+]2CCOCC2(C)C)Cc2ccccc2C1 ZINC000746213536 1078823614 /nfs/dbraw/zinc/82/36/14/1078823614.db2.gz SFSZZTYKPATTNR-UHFFFAOYSA-N 1 2 417.550 2.276 20 0 HEADLO Cc1cc(C(=O)N2CCC([N@H+](C)CC(F)F)CC2)cc(S(=O)(=O)N(C)C)c1C ZINC000746320068 1078857270 /nfs/dbraw/zinc/85/72/70/1078857270.db2.gz TZZOWRODZNYQCG-UHFFFAOYSA-N 1 2 417.522 2.355 20 0 HEADLO Cc1cc(C(=O)N2CCC([N@@H+](C)CC(F)F)CC2)cc(S(=O)(=O)N(C)C)c1C ZINC000746320068 1078857275 /nfs/dbraw/zinc/85/72/75/1078857275.db2.gz TZZOWRODZNYQCG-UHFFFAOYSA-N 1 2 417.522 2.355 20 0 HEADLO C[N@H+](CC(F)F)C1CCN(C(=O)c2ccc(S(=O)(=O)NC(C)(C)C)o2)CC1 ZINC000746325293 1078859811 /nfs/dbraw/zinc/85/98/11/1078859811.db2.gz VVQBMVCRMXCRJK-UHFFFAOYSA-N 1 2 407.483 2.158 20 0 HEADLO C[N@@H+](CC(F)F)C1CCN(C(=O)c2ccc(S(=O)(=O)NC(C)(C)C)o2)CC1 ZINC000746325293 1078859814 /nfs/dbraw/zinc/85/98/14/1078859814.db2.gz VVQBMVCRMXCRJK-UHFFFAOYSA-N 1 2 407.483 2.158 20 0 HEADLO COC(=O)c1cccc(COC(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)c1 ZINC000766343898 1078864628 /nfs/dbraw/zinc/86/46/28/1078864628.db2.gz JWURTAFGZCTQBN-UHFFFAOYSA-N 1 2 411.458 2.040 20 0 HEADLO CCOC(=O)N1CC[C@H](NC(=O)N2CC[NH+](CCOc3ccc(Cl)cc3)CC2)C1 ZINC000770535910 1078888486 /nfs/dbraw/zinc/88/84/86/1078888486.db2.gz VFOPJZYWAWUDAX-KRWDZBQOSA-N 1 2 424.929 2.277 20 0 HEADLO O=C(c1cccnc1I)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000770489246 1078878483 /nfs/dbraw/zinc/87/84/83/1078878483.db2.gz QWWJMOQQSRHLGL-ZDUSSCGKSA-N 1 2 415.275 2.013 20 0 HEADLO O=C(OCc1ccccc1)N1CC[C@@H](C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)C1 ZINC000770568212 1078893365 /nfs/dbraw/zinc/89/33/65/1078893365.db2.gz KLOBANSVLRCUJM-RTWAWAEBSA-N 1 2 415.534 2.358 20 0 HEADLO CCOC1CC(CNC(=O)Nc2ccc(Br)nc2)([NH+]2CCOCC2)C1 ZINC000770598326 1078901666 /nfs/dbraw/zinc/90/16/66/1078901666.db2.gz YVLMCQXQMCQZRM-UHFFFAOYSA-N 1 2 413.316 2.236 20 0 HEADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C1=NN(Cc2ccccc2)C(=O)CC1 ZINC000770663851 1078924212 /nfs/dbraw/zinc/92/42/12/1078924212.db2.gz DRRSOBOOQZIXEA-UHFFFAOYSA-N 1 2 407.474 2.344 20 0 HEADLO CC/C=C(/C)C(=O)N1CSC[C@H]1C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000770664648 1078925082 /nfs/dbraw/zinc/92/50/82/1078925082.db2.gz IKXVRJSMKRRTHT-UOJXKXAVSA-N 1 2 404.536 2.423 20 0 HEADLO COCCOC(=O)Nc1cccc(NC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)c1 ZINC000770604959 1078912527 /nfs/dbraw/zinc/91/25/27/1078912527.db2.gz WZBQUEGTXPQEBJ-SFHVURJKSA-N 1 2 406.483 2.210 20 0 HEADLO C[C@H](NC(=O)[C@H]1CCCN(C(=O)OCc2ccccc2)C1)[C@H](C)[NH+]1CCOCC1 ZINC000766380464 1078930224 /nfs/dbraw/zinc/93/02/24/1078930224.db2.gz SXZHJVVGGFYJQL-BJLQDIEVSA-N 1 2 403.523 2.261 20 0 HEADLO CS(=O)(=O)c1cc(S(=O)(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)c(Cl)s1 ZINC000770678699 1078930554 /nfs/dbraw/zinc/93/05/54/1078930554.db2.gz SLGMISHUIJGWMU-SNVBAGLBSA-N 1 2 409.942 2.027 20 0 HEADLO O=C(CCCn1cncn1)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000804268563 1078933828 /nfs/dbraw/zinc/93/38/28/1078933828.db2.gz HUKAIFYOZKMLLW-UHFFFAOYSA-N 1 2 407.272 2.339 20 0 HEADLO O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)c1ccc(S[C@H]2CCOC2=O)cc1 ZINC000770654931 1078940916 /nfs/dbraw/zinc/94/09/16/1078940916.db2.gz GKHJZLMEWSXSEF-FXAWDEMLSA-N 1 2 422.572 2.032 20 0 HEADLO COc1cccc(OCC[NH+]2CCN(C(=O)c3cccnc3-n3cccn3)CC2)c1 ZINC000766407798 1078957148 /nfs/dbraw/zinc/95/71/48/1078957148.db2.gz AVGQHCRZBIJAKM-UHFFFAOYSA-N 1 2 407.474 2.113 20 0 HEADLO COc1cccc(OCC[NH+]2CCN(C(=O)[C@H](C)NC(=O)OC(C)(C)C)CC2)c1 ZINC000766408681 1078957588 /nfs/dbraw/zinc/95/75/88/1078957588.db2.gz LQNADEGSIKHYIP-INIZCTEOSA-N 1 2 407.511 2.131 20 0 HEADLO CN(C)c1ccc([NH+]2CCC(NC(=O)N3CCC4(CCN(C)C4=O)CC3)CC2)cc1 ZINC000770693607 1078962708 /nfs/dbraw/zinc/96/27/08/1078962708.db2.gz CMNLPTJSKUMPQP-UHFFFAOYSA-N 1 2 413.566 2.375 20 0 HEADLO COC(=O)C[C@]1([NH2+]Cc2nnc(-c3ccc(Br)o3)o2)CCCOC1 ZINC000770698721 1078966918 /nfs/dbraw/zinc/96/69/18/1078966918.db2.gz NARIJBDKLCSJBD-OAHLLOKOSA-N 1 2 400.229 2.294 20 0 HEADLO Cn1ncc(NC(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)c1C1CC1 ZINC000770767642 1078987719 /nfs/dbraw/zinc/98/77/19/1078987719.db2.gz ZRTDXLCMNZFLEE-NVXWUHKLSA-N 1 2 403.433 2.076 20 0 HEADLO Cn1ncc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)c1C1CC1 ZINC000770767642 1078987730 /nfs/dbraw/zinc/98/77/30/1078987730.db2.gz ZRTDXLCMNZFLEE-NVXWUHKLSA-N 1 2 403.433 2.076 20 0 HEADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N1CCC[C@H]1C[C@@H](O)c1cnn(C)c1 ZINC000766463951 1079014080 /nfs/dbraw/zinc/01/40/80/1079014080.db2.gz NIWBHASSJCOYOH-PKOBYXMFSA-N 1 2 414.510 2.080 20 0 HEADLO COC(=O)c1cccc(-c2nc(CN3CC[NH+](CC[S@@](C)=O)CC3)cs2)c1 ZINC000746471341 1079020938 /nfs/dbraw/zinc/02/09/38/1079020938.db2.gz ZTOJYHIUPLOKKM-HHHXNRCGSA-N 1 2 407.561 2.093 20 0 HEADLO C[C@@H]1C[C@H]1C(=O)Nc1ccc(F)cc1C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000804289303 1079036155 /nfs/dbraw/zinc/03/61/55/1079036155.db2.gz TZFSUBDRTVHQET-NVAPDCRFSA-N 1 2 421.538 2.358 20 0 HEADLO C[C@@H]1C[C@H]1C(=O)Nc1ccc(F)cc1C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000804289302 1079036292 /nfs/dbraw/zinc/03/62/92/1079036292.db2.gz TZFSUBDRTVHQET-IUSZMWJPSA-N 1 2 421.538 2.358 20 0 HEADLO C[C@@H]1C[C@@H]([N@@H+]2CCc3onc(COCC(=O)N(C)C)c3C2)CN1C(=O)OC(C)(C)C ZINC001168849702 1079061218 /nfs/dbraw/zinc/06/12/18/1079061218.db2.gz LHFKRTNXGGLCPL-HUUCEWRRSA-N 1 2 422.526 2.035 20 0 HEADLO C[C@@H]1C[C@@H]([N@H+]2CCc3onc(COCC(=O)N(C)C)c3C2)CN1C(=O)OC(C)(C)C ZINC001168849702 1079061221 /nfs/dbraw/zinc/06/12/21/1079061221.db2.gz LHFKRTNXGGLCPL-HUUCEWRRSA-N 1 2 422.526 2.035 20 0 HEADLO Cc1nn(CCS(C)(=O)=O)c(C)c1C[N@H+](C[C@@H]1CCCO1)[C@H]1CCSC1 ZINC001168884769 1079068277 /nfs/dbraw/zinc/06/82/77/1079068277.db2.gz FKCQXHNEMDDBOW-IRXDYDNUSA-N 1 2 401.598 2.031 20 0 HEADLO Cc1nn(CCS(C)(=O)=O)c(C)c1C[N@@H+](C[C@@H]1CCCO1)[C@H]1CCSC1 ZINC001168884769 1079068282 /nfs/dbraw/zinc/06/82/82/1079068282.db2.gz FKCQXHNEMDDBOW-IRXDYDNUSA-N 1 2 401.598 2.031 20 0 HEADLO COc1ccc(CN2CC[C@@H]([N@@H+]3CCn4nc(C(F)(F)F)nc4C3)CC2=O)cc1 ZINC001168921068 1079075876 /nfs/dbraw/zinc/07/58/76/1079075876.db2.gz SLANFHDEJSQOSD-CQSZACIVSA-N 1 2 409.412 2.312 20 0 HEADLO COc1ccc(CN2CC[C@@H]([N@H+]3CCn4nc(C(F)(F)F)nc4C3)CC2=O)cc1 ZINC001168921068 1079075882 /nfs/dbraw/zinc/07/58/82/1079075882.db2.gz SLANFHDEJSQOSD-CQSZACIVSA-N 1 2 409.412 2.312 20 0 HEADLO CCOC(=O)c1cnc2n1CC[N@H+]([C@@H]1CCN(Cc3ccc(OC)cc3)C(=O)C1)C2 ZINC001168948061 1079084163 /nfs/dbraw/zinc/08/41/63/1079084163.db2.gz QMCQICXAXYHHCF-QGZVFWFLSA-N 1 2 412.490 2.075 20 0 HEADLO CCOC(=O)c1cnc2n1CC[N@@H+]([C@@H]1CCN(Cc3ccc(OC)cc3)C(=O)C1)C2 ZINC001168948061 1079084169 /nfs/dbraw/zinc/08/41/69/1079084169.db2.gz QMCQICXAXYHHCF-QGZVFWFLSA-N 1 2 412.490 2.075 20 0 HEADLO CCCOc1ccc(CC(=O)N2CCO[C@H](C[NH+]3CCOCC3)C2)cc1OCCC ZINC001169003515 1079097279 /nfs/dbraw/zinc/09/72/79/1079097279.db2.gz UPQRXGUQVMZDJX-HXUWFJFHSA-N 1 2 420.550 2.366 20 0 HEADLO O=C(CCc1ccccc1OC(F)(F)F)N1CCO[C@H](C[NH+]2CCOCC2)C1 ZINC001169003217 1079097354 /nfs/dbraw/zinc/09/73/54/1079097354.db2.gz SROCOQZJPXJCNA-MRXNPFEDSA-N 1 2 402.413 2.077 20 0 HEADLO O=C1[C@H]([NH+]2CCN(CCn3cc(Cl)cn3)CC2)CCCN1Cc1ccccc1 ZINC001169015443 1079100311 /nfs/dbraw/zinc/10/03/11/1079100311.db2.gz XUIQZCGDLVCJLU-HXUWFJFHSA-N 1 2 401.942 2.345 20 0 HEADLO CC(C)(C)OC(=O)NC[C@H](C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1)c1ccccc1 ZINC000771033252 1079110391 /nfs/dbraw/zinc/11/03/91/1079110391.db2.gz OJDFRWCDQMSASW-MOPGFXCFSA-N 1 2 403.523 2.228 20 0 HEADLO O=C(COC(=O)c1cnccc1Cl)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000771056134 1079117586 /nfs/dbraw/zinc/11/75/86/1079117586.db2.gz UGBMYRJFJAGNJO-UHFFFAOYSA-N 1 2 415.877 2.171 20 0 HEADLO COc1ccc(C[NH+]2CCN(Cn3nnc4sc(C)c(C)c4c3=O)CC2)cc1F ZINC000771152630 1079164414 /nfs/dbraw/zinc/16/44/14/1079164414.db2.gz FFWMPVPDCAXHDG-UHFFFAOYSA-N 1 2 417.510 2.393 20 0 HEADLO O=C(CCNC(=O)c1[nH]nc2ccccc21)NCCn1c[nH+]cc1-c1ccccc1 ZINC001169159008 1079169240 /nfs/dbraw/zinc/16/92/40/1079169240.db2.gz OPASHFFTFPDSBE-UHFFFAOYSA-N 1 2 402.458 2.363 20 0 HEADLO Cc1cc(CNc2cc(N3CCC(C(N)=O)CC3)nc[nH+]2)ncc1Br ZINC001169204951 1079205040 /nfs/dbraw/zinc/20/50/40/1079205040.db2.gz VVHUSJCGAMHUFE-UHFFFAOYSA-N 1 2 405.300 2.256 20 0 HEADLO Cc1cc(CNc2cc(N3CCC(C(N)=O)CC3)[nH+]cn2)ncc1Br ZINC001169204951 1079205047 /nfs/dbraw/zinc/20/50/47/1079205047.db2.gz VVHUSJCGAMHUFE-UHFFFAOYSA-N 1 2 405.300 2.256 20 0 HEADLO CCOC(=O)[C@@H]1CC[C@@H]([N@@H+]2CCOCC23CCN(C(=O)OC(C)(C)C)CC3)CO1 ZINC001169374601 1079245021 /nfs/dbraw/zinc/24/50/21/1079245021.db2.gz SZEVYZFFGUHFME-SJORKVTESA-N 1 2 412.527 2.199 20 0 HEADLO CCOC(=O)[C@@H]1CC[C@@H]([N@H+]2CCOCC23CCN(C(=O)OC(C)(C)C)CC3)CO1 ZINC001169374601 1079245025 /nfs/dbraw/zinc/24/50/25/1079245025.db2.gz SZEVYZFFGUHFME-SJORKVTESA-N 1 2 412.527 2.199 20 0 HEADLO CCOC(=O)[C@@H]1CC[C@H]([N@H+]2Cc3nccn3C[C@@H](COCc3ccccn3)C2)CO1 ZINC001169398972 1079272292 /nfs/dbraw/zinc/27/22/92/1079272292.db2.gz UIOPFHJATCEBPS-HOJAQTOUSA-N 1 2 414.506 2.037 20 0 HEADLO CCOC(=O)[C@@H]1CC[C@H]([N@@H+]2Cc3nccn3C[C@@H](COCc3ccccn3)C2)CO1 ZINC001169398972 1079272301 /nfs/dbraw/zinc/27/23/01/1079272301.db2.gz UIOPFHJATCEBPS-HOJAQTOUSA-N 1 2 414.506 2.037 20 0 HEADLO CCOC(=O)[C@@H]1CC[C@H]([N@H+]2Cc3nccn3C[C@H](COCc3ccccn3)C2)CO1 ZINC001169398973 1079272658 /nfs/dbraw/zinc/27/26/58/1079272658.db2.gz UIOPFHJATCEBPS-IHPCNDPISA-N 1 2 414.506 2.037 20 0 HEADLO CCOC(=O)[C@@H]1CC[C@H]([N@@H+]2Cc3nccn3C[C@H](COCc3ccccn3)C2)CO1 ZINC001169398973 1079272664 /nfs/dbraw/zinc/27/26/64/1079272664.db2.gz UIOPFHJATCEBPS-IHPCNDPISA-N 1 2 414.506 2.037 20 0 HEADLO C[S@](=N)(=O)N1CCN(C(=O)NCCN(Cc2ccccc2)c2cccc[nH+]2)CC1 ZINC001687511563 1079273361 /nfs/dbraw/zinc/27/33/61/1079273361.db2.gz YHEVQANYDFCBDJ-GDLZYMKVSA-N 1 2 416.551 2.007 20 0 HEADLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)CCNS(=O)(=O)/C=C/c1ccccc1 ZINC000771293642 1079267723 /nfs/dbraw/zinc/26/77/23/1079267723.db2.gz AOWJUWJHAVCMNB-MDNBWPLSSA-N 1 2 404.536 2.394 20 0 HEADLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)CCCNS(=O)(=O)c1ccc(F)cc1 ZINC000771296828 1079269995 /nfs/dbraw/zinc/26/99/95/1079269995.db2.gz UHONOVDHDYJGIM-QGZVFWFLSA-N 1 2 410.515 2.312 20 0 HEADLO COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)Nc2ccc3[nH+]ccn3c2)C1=O ZINC000771337284 1079297124 /nfs/dbraw/zinc/29/71/24/1079297124.db2.gz NEPPEGWDBNDJHU-NRFANRHFSA-N 1 2 407.430 2.057 20 0 HEADLO COc1ccc(OC)c([C@H](O)CNC(=O)CNc2cc(N(C)C)cc(Cl)[nH+]2)c1 ZINC001169436855 1079302982 /nfs/dbraw/zinc/30/29/82/1079302982.db2.gz ZVWLUBFDRJIIPH-OAHLLOKOSA-N 1 2 408.886 2.080 20 0 HEADLO COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)C1=O ZINC000771394343 1079320695 /nfs/dbraw/zinc/32/06/95/1079320695.db2.gz DVHGFNQQGNMAJN-JOCHJYFZSA-N 1 2 419.441 2.491 20 0 HEADLO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)c1ccc2c(c1)[nH]c(=S)n(Cc1ccco1)c2=O ZINC000771397574 1079322041 /nfs/dbraw/zinc/32/20/41/1079322041.db2.gz RMTAXVNHLLJXHE-ZIAGYGMSSA-N 1 2 412.515 2.491 20 0 HEADLO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)c1ccc2c(c1)[nH]c(=S)n(Cc1ccco1)c2=O ZINC000771397574 1079322046 /nfs/dbraw/zinc/32/20/46/1079322046.db2.gz RMTAXVNHLLJXHE-ZIAGYGMSSA-N 1 2 412.515 2.491 20 0 HEADLO Cc1cn(-c2ccccc2)nc1C(=O)N1CC[N@@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000771399231 1079323106 /nfs/dbraw/zinc/32/31/06/1079323106.db2.gz TUEKKDNTXMHYGP-SFHVURJKSA-N 1 2 413.522 2.462 20 0 HEADLO Cc1cn(-c2ccccc2)nc1C(=O)N1CC[N@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000771399231 1079323111 /nfs/dbraw/zinc/32/31/11/1079323111.db2.gz TUEKKDNTXMHYGP-SFHVURJKSA-N 1 2 413.522 2.462 20 0 HEADLO C[C@H](O)CN1CC[N@H+](CCC(=O)Nc2ccc(Br)cc2F)[C@H](C)C1 ZINC001169540905 1079326054 /nfs/dbraw/zinc/32/60/54/1079326054.db2.gz SCSRSUYSCMDXIK-OLZOCXBDSA-N 1 2 402.308 2.304 20 0 HEADLO C[C@H](O)CN1CC[N@@H+](CCC(=O)Nc2ccc(Br)cc2F)[C@H](C)C1 ZINC001169540905 1079326059 /nfs/dbraw/zinc/32/60/59/1079326059.db2.gz SCSRSUYSCMDXIK-OLZOCXBDSA-N 1 2 402.308 2.304 20 0 HEADLO CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H]2CCc3c[nH+]cn3C2)c1 ZINC000804332602 1079349464 /nfs/dbraw/zinc/34/94/64/1079349464.db2.gz NJZQOZXIEMTJLT-ZDUSSCGKSA-N 1 2 410.927 2.312 20 0 HEADLO C[N@@H+]1CCOC[C@H]1CNc1nc(Cl)nc2c1ccn2S(=O)(=O)c1ccccc1 ZINC001169653859 1079357114 /nfs/dbraw/zinc/35/71/14/1079357114.db2.gz SYJUNMVJHQIZRM-CYBMUJFWSA-N 1 2 421.910 2.064 20 0 HEADLO C[N@H+]1CCOC[C@H]1CNc1nc(Cl)nc2c1ccn2S(=O)(=O)c1ccccc1 ZINC001169653859 1079357118 /nfs/dbraw/zinc/35/71/18/1079357118.db2.gz SYJUNMVJHQIZRM-CYBMUJFWSA-N 1 2 421.910 2.064 20 0 HEADLO CCCCN1C(=O)c2ccc(C(=O)N3CC[NH+](CCc4ccncc4)CC3)cc2C1=O ZINC001169665126 1079360761 /nfs/dbraw/zinc/36/07/61/1079360761.db2.gz CYROFVASEBDIJN-UHFFFAOYSA-N 1 2 420.513 2.478 20 0 HEADLO CC(C)(C)OC(=O)[C@H]1CC(C(=O)N[C@H]2CCc3c[nH+]cn3C2)=NN1c1ccccc1 ZINC000804335227 1079369133 /nfs/dbraw/zinc/36/91/33/1079369133.db2.gz VCUXKLSKZYQLSM-HNAYVOBHSA-N 1 2 409.490 2.291 20 0 HEADLO COc1ccc(C(=O)OCC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)nc1Cl ZINC000766786279 1079373923 /nfs/dbraw/zinc/37/39/23/1079373923.db2.gz ARTYABOWQPBVCZ-UHFFFAOYSA-N 1 2 419.865 2.371 20 0 HEADLO CC(C)(C)OC(=O)N1CCC[C@@H](n2cc(C(=O)N[C@H]3CCc4c[nH+]cn4C3)cn2)C1 ZINC000804334409 1079376772 /nfs/dbraw/zinc/37/67/72/1079376772.db2.gz GAOKPILDOKCSOY-FUHWJXTLSA-N 1 2 414.510 2.396 20 0 HEADLO O=C(OCc1ccccc1)N1CCCC[C@H]1C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000771561103 1079385382 /nfs/dbraw/zinc/38/53/82/1079385382.db2.gz OAUYOAMGKQCVMQ-UXHICEINSA-N 1 2 401.507 2.111 20 0 HEADLO CN(CC[N@H+](C)C1CC1)C(=O)c1ccc2c(c1)[nH]c(=S)n(Cc1ccco1)c2=O ZINC000771570629 1079389366 /nfs/dbraw/zinc/38/93/66/1079389366.db2.gz FLEWJXAARMNTFU-UHFFFAOYSA-N 1 2 412.515 2.493 20 0 HEADLO CN(CC[N@@H+](C)C1CC1)C(=O)c1ccc2c(c1)[nH]c(=S)n(Cc1ccco1)c2=O ZINC000771570629 1079389372 /nfs/dbraw/zinc/38/93/72/1079389372.db2.gz FLEWJXAARMNTFU-UHFFFAOYSA-N 1 2 412.515 2.493 20 0 HEADLO CS(=O)(=O)C1CCC([N@@H+]2CCO[C@@H]3[C@@H](COCc4nccs4)CC[C@H]32)CC1 ZINC001169880564 1079454773 /nfs/dbraw/zinc/45/47/73/1079454773.db2.gz OZFNJLMDSDVSIK-KZZPEHCYSA-N 1 2 414.593 2.495 20 0 HEADLO CS(=O)(=O)C1CCC([N@H+]2CCO[C@@H]3[C@@H](COCc4nccs4)CC[C@H]32)CC1 ZINC001169880564 1079454776 /nfs/dbraw/zinc/45/47/76/1079454776.db2.gz OZFNJLMDSDVSIK-KZZPEHCYSA-N 1 2 414.593 2.495 20 0 HEADLO CCCN(CC(=O)N1CC[NH+](Cc2ccc(OC)cc2)CC1)[C@H](C)C(=O)OCC ZINC001169933808 1079479624 /nfs/dbraw/zinc/47/96/24/1079479624.db2.gz RSWSRHTZCJMHPQ-GOSISDBHSA-N 1 2 405.539 2.003 20 0 HEADLO C[C@H](C[C@@H](O)c1ccc(F)cc1)NC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000766885491 1079484482 /nfs/dbraw/zinc/48/44/82/1079484482.db2.gz ORUYTCMOMHMIDN-ZTNFWEORSA-N 1 2 411.543 2.145 20 0 HEADLO C[N@@H+](Cc1ccc(C(=O)NC2CC2)cc1)Cn1cc(I)cn1 ZINC000738018501 1075951377 /nfs/dbraw/zinc/95/13/77/1075951377.db2.gz FVEFLFZJHOXLMM-UHFFFAOYSA-N 1 2 410.259 2.469 20 0 HEADLO C[N@H+](Cc1ccc(C(=O)NC2CC2)cc1)Cn1cc(I)cn1 ZINC000738018501 1075951382 /nfs/dbraw/zinc/95/13/82/1075951382.db2.gz FVEFLFZJHOXLMM-UHFFFAOYSA-N 1 2 410.259 2.469 20 0 HEADLO CC(C)[C@]1(C)NC(=O)N(C[NH+]2CCC(C(=O)NCCc3cccs3)CC2)C1=O ZINC000738031354 1075954692 /nfs/dbraw/zinc/95/46/92/1075954692.db2.gz WMYDLYSZNGACDG-FQEVSTJZSA-N 1 2 406.552 2.043 20 0 HEADLO CC[C@]1(C(C)C)NC(=O)N(C[NH+]2CCC(C(=O)NCCc3cccs3)CC2)C1=O ZINC000738030027 1075954727 /nfs/dbraw/zinc/95/47/27/1075954727.db2.gz LIRWKQBAGSKVPA-OAQYLSRUSA-N 1 2 420.579 2.433 20 0 HEADLO CC(C)[C@]1(C)NC(=O)N(CN(Cc2ccccc2)[C@H](C)C[NH+]2CCOCC2)C1=O ZINC000738042114 1075956131 /nfs/dbraw/zinc/95/61/31/1075956131.db2.gz SQWRLXNSYHHZMF-GCJKJVERSA-N 1 2 402.539 2.133 20 0 HEADLO C[N@H+](C[C@H]1CCCO1)CN1C(=O)N[C@](C)(c2ccc(OC(F)(F)F)cc2)C1=O ZINC000738065659 1075962466 /nfs/dbraw/zinc/96/24/66/1075962466.db2.gz KPULHKCQAZZNBB-RHSMWYFYSA-N 1 2 401.385 2.421 20 0 HEADLO C[N@@H+](C[C@H]1CCCO1)CN1C(=O)N[C@](C)(c2ccc(OC(F)(F)F)cc2)C1=O ZINC000738065659 1075962477 /nfs/dbraw/zinc/96/24/77/1075962477.db2.gz KPULHKCQAZZNBB-RHSMWYFYSA-N 1 2 401.385 2.421 20 0 HEADLO CC(C)Cn1c(=S)n(CN2CCC(n3cc[nH+]c3)CC2)nc1N1CCOCC1 ZINC000738109511 1075964791 /nfs/dbraw/zinc/96/47/91/1075964791.db2.gz CRGSBBRZHOVAEK-UHFFFAOYSA-N 1 2 405.572 2.398 20 0 HEADLO COc1ccc(OC)c(-n2nnn(CN3CCC(n4cc[nH+]c4)CC3)c2=S)c1 ZINC000738109444 1075964812 /nfs/dbraw/zinc/96/48/12/1075964812.db2.gz BKPDHZGYQBKLSI-UHFFFAOYSA-N 1 2 401.496 2.307 20 0 HEADLO C[C@H]1C[N@H+](CN2C(=O)N[C@](C)(c3ccc(F)cc3Br)C2=O)CCCO1 ZINC000738163431 1075971965 /nfs/dbraw/zinc/97/19/65/1075971965.db2.gz WYFOHDVVKSEMKE-APPDUMDISA-N 1 2 414.275 2.424 20 0 HEADLO C[C@H]1C[N@@H+](CN2C(=O)N[C@](C)(c3ccc(F)cc3Br)C2=O)CCCO1 ZINC000738163431 1075971969 /nfs/dbraw/zinc/97/19/69/1075971969.db2.gz WYFOHDVVKSEMKE-APPDUMDISA-N 1 2 414.275 2.424 20 0 HEADLO C[N@H+](CCN1CCN(C(=O)OC(C)(C)C)CC1)CC(=O)N1CCCc2ccccc21 ZINC000738326312 1075980931 /nfs/dbraw/zinc/98/09/31/1075980931.db2.gz NHQKRKGRDSTZSW-UHFFFAOYSA-N 1 2 416.566 2.450 20 0 HEADLO C[N@@H+](CCN1CCN(C(=O)OC(C)(C)C)CC1)CC(=O)N1CCCc2ccccc21 ZINC000738326312 1075980936 /nfs/dbraw/zinc/98/09/36/1075980936.db2.gz NHQKRKGRDSTZSW-UHFFFAOYSA-N 1 2 416.566 2.450 20 0 HEADLO CN(CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1)Cc1nnc(-c2ccccc2)n1C ZINC000738326557 1075981058 /nfs/dbraw/zinc/98/10/58/1075981058.db2.gz ONQJTBXFIUSGIZ-UHFFFAOYSA-N 1 2 414.554 2.467 20 0 HEADLO COc1ccc(S(=O)(=O)Oc2cccc(-n3cc[nH+]c3)c2)cc1C(=O)N(C)C ZINC000738391960 1075993184 /nfs/dbraw/zinc/99/31/84/1075993184.db2.gz STXCDANNEURPBC-UHFFFAOYSA-N 1 2 401.444 2.350 20 0 HEADLO O=S(=O)(Oc1cccc(-n2cc[nH+]c2)c1)c1ccc(N2CCCS2(=O)=O)cc1 ZINC000738391052 1075993284 /nfs/dbraw/zinc/99/32/84/1075993284.db2.gz DBOSBBOEMLZPMQ-UHFFFAOYSA-N 1 2 419.484 2.180 20 0 HEADLO C[C@@H]1CCN(S(=O)(=O)CCNC(=O)OCc2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000771779925 1079501882 /nfs/dbraw/zinc/50/18/82/1079501882.db2.gz JMDJBEFGGXKNMM-SJLPKXTDSA-N 1 2 406.508 2.022 20 0 HEADLO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000739705735 1076074143 /nfs/dbraw/zinc/07/41/43/1076074143.db2.gz LSZYTGNLRUFQKC-QINHECLXSA-N 1 2 413.584 2.004 20 0 HEADLO Cc1cc([C@@H]2CCCN2C(=O)C(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)no1 ZINC000144816514 1076079638 /nfs/dbraw/zinc/07/96/38/1076079638.db2.gz FMDLLWGDSASFSF-FQEVSTJZSA-N 1 2 411.506 2.033 20 0 HEADLO Cc1cc([C@H]2CCCN2C(=O)C(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)no1 ZINC000144816712 1076079730 /nfs/dbraw/zinc/07/97/30/1076079730.db2.gz FMDLLWGDSASFSF-HXUWFJFHSA-N 1 2 411.506 2.033 20 0 HEADLO C[C@@H](NC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)c1ncc(-c2ccccc2)o1 ZINC000740052671 1076099301 /nfs/dbraw/zinc/09/93/01/1076099301.db2.gz SOPNVIKMJFHCPZ-OAHLLOKOSA-N 1 2 420.535 2.211 20 0 HEADLO COC(=O)N1CCC[C@H](NC(=O)N[C@H](c2ccc(Cl)cc2)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000766253988 1076157292 /nfs/dbraw/zinc/15/72/92/1076157292.db2.gz YZUBCPAVGHKQNL-OKZBNKHCSA-N 1 2 424.929 2.242 20 0 HEADLO COC(=O)N1CCC[C@H](NC(=O)N[C@H](c2ccc(Cl)cc2)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000766253988 1076157296 /nfs/dbraw/zinc/15/72/96/1076157296.db2.gz YZUBCPAVGHKQNL-OKZBNKHCSA-N 1 2 424.929 2.242 20 0 HEADLO C[C@H](CNC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1)CC1(C)OCCO1 ZINC000740733259 1076219123 /nfs/dbraw/zinc/21/91/23/1076219123.db2.gz GEFIXJAIKBHOIS-INIZCTEOSA-N 1 2 400.479 2.431 20 0 HEADLO COc1c(C)c[nH+]c(CNC(=O)CC[S@](=O)c2ccc3c(c2)OCCO3)c1C ZINC000740742427 1076230319 /nfs/dbraw/zinc/23/03/19/1076230319.db2.gz IBPSEABMYKXDIU-NDEPHWFRSA-N 1 2 404.488 2.292 20 0 HEADLO C[C@@](O)(CNC(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1)c1ccsc1 ZINC000741086837 1076349699 /nfs/dbraw/zinc/34/96/99/1076349699.db2.gz QRNYNKSJSCKQME-TZIWHRDSSA-N 1 2 403.548 2.198 20 0 HEADLO CC(C)S(=O)(=O)c1ccccc1NC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000741067116 1076351838 /nfs/dbraw/zinc/35/18/38/1076351838.db2.gz GNUPPNYDRBQWAY-UHFFFAOYSA-N 1 2 421.523 2.041 20 0 HEADLO O=C(NC[C@H](O)c1c(F)cccc1F)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000741073665 1076353914 /nfs/dbraw/zinc/35/39/14/1076353914.db2.gz BYZJKTFWXMZFSS-APWZRJJASA-N 1 2 405.445 2.198 20 0 HEADLO O=C(NC[C@H](O)c1c(F)cccc1F)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000741073665 1076353916 /nfs/dbraw/zinc/35/39/16/1076353916.db2.gz BYZJKTFWXMZFSS-APWZRJJASA-N 1 2 405.445 2.198 20 0 HEADLO CN(C(=O)COC(=O)[C@H]1CCCC[N@@H+]1C)c1ccccc1C(=O)NCc1ccco1 ZINC000741146063 1076392550 /nfs/dbraw/zinc/39/25/50/1076392550.db2.gz AQNZPJWWVPKEDA-LJQANCHMSA-N 1 2 413.474 2.200 20 0 HEADLO CN(C(=O)COC(=O)[C@H]1CCCC[N@H+]1C)c1ccccc1C(=O)NCc1ccco1 ZINC000741146063 1076392552 /nfs/dbraw/zinc/39/25/52/1076392552.db2.gz AQNZPJWWVPKEDA-LJQANCHMSA-N 1 2 413.474 2.200 20 0 HEADLO Cc1ccc(CCC(=O)NCCOC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)cc1 ZINC000741185394 1076399911 /nfs/dbraw/zinc/39/99/11/1076399911.db2.gz WYEWSVGKUIVBLQ-JOCHJYFZSA-N 1 2 410.514 2.488 20 0 HEADLO Cc1ccc(CCC(=O)NCCOC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1 ZINC000741185394 1076399913 /nfs/dbraw/zinc/39/99/13/1076399913.db2.gz WYEWSVGKUIVBLQ-JOCHJYFZSA-N 1 2 410.514 2.488 20 0 HEADLO O=C(COC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1)Nc1nnc([C@@H]2CCCO2)o1 ZINC000741348884 1076490697 /nfs/dbraw/zinc/49/06/97/1076490697.db2.gz AYZAFNCQFGWXOS-IRXDYDNUSA-N 1 2 414.462 2.458 20 0 HEADLO O=C(COC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1)Nc1nnc([C@@H]2CCCO2)o1 ZINC000741348884 1076490700 /nfs/dbraw/zinc/49/07/00/1076490700.db2.gz AYZAFNCQFGWXOS-IRXDYDNUSA-N 1 2 414.462 2.458 20 0 HEADLO C[C@@H]1CCCC[C@@H]1OCCNC(=O)COC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000741389673 1076497226 /nfs/dbraw/zinc/49/72/26/1076497226.db2.gz WUSHXMBOYRCNLG-GIVPXCGWSA-N 1 2 418.534 2.142 20 0 HEADLO C[C@@H]1CCCC[C@@H]1OCCNC(=O)COC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000741389673 1076497231 /nfs/dbraw/zinc/49/72/31/1076497231.db2.gz WUSHXMBOYRCNLG-GIVPXCGWSA-N 1 2 418.534 2.142 20 0 HEADLO Cc1cccc(C)c1-n1nnnc1COC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000741381486 1076506346 /nfs/dbraw/zinc/50/63/46/1076506346.db2.gz CTVGQHSCARBTPM-LJQANCHMSA-N 1 2 407.474 2.223 20 0 HEADLO Cc1cccc(C)c1-n1nnnc1COC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000741381486 1076506349 /nfs/dbraw/zinc/50/63/49/1076506349.db2.gz CTVGQHSCARBTPM-LJQANCHMSA-N 1 2 407.474 2.223 20 0 HEADLO COc1cccc(CNC(=O)[C@@H](C)OC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c1 ZINC000741384548 1076508812 /nfs/dbraw/zinc/50/88/12/1076508812.db2.gz PSOYDXWKOKFIKY-UTKZUKDTSA-N 1 2 412.486 2.144 20 0 HEADLO COc1cccc(CNC(=O)[C@@H](C)OC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c1 ZINC000741384548 1076508819 /nfs/dbraw/zinc/50/88/19/1076508819.db2.gz PSOYDXWKOKFIKY-UTKZUKDTSA-N 1 2 412.486 2.144 20 0 HEADLO CC(=O)Nc1cccc(NC(=O)COC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c1 ZINC000741385828 1076509035 /nfs/dbraw/zinc/50/90/35/1076509035.db2.gz IINMHYGGIVXGIC-FQEVSTJZSA-N 1 2 411.458 2.028 20 0 HEADLO CC(=O)Nc1cccc(NC(=O)COC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c1 ZINC000741385828 1076509041 /nfs/dbraw/zinc/50/90/41/1076509041.db2.gz IINMHYGGIVXGIC-FQEVSTJZSA-N 1 2 411.458 2.028 20 0 HEADLO O=C(Nc1cccc2[nH+]ccn21)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl ZINC000741740985 1076603462 /nfs/dbraw/zinc/60/34/62/1076603462.db2.gz ZWXKIYWBBCQLGD-UHFFFAOYSA-N 1 2 420.878 2.261 20 0 HEADLO C[N@@H+](CC(=O)Nc1ccc(N2CCOCC2)cc1)C[C@H]1CN(c2ccccc2)C(=O)O1 ZINC000741774352 1076621768 /nfs/dbraw/zinc/62/17/68/1076621768.db2.gz GLUZRKKZYVXIOE-NRFANRHFSA-N 1 2 424.501 2.419 20 0 HEADLO C[N@H+](CC(=O)Nc1ccc(N2CCOCC2)cc1)C[C@H]1CN(c2ccccc2)C(=O)O1 ZINC000741774352 1076621778 /nfs/dbraw/zinc/62/17/78/1076621778.db2.gz GLUZRKKZYVXIOE-NRFANRHFSA-N 1 2 424.501 2.419 20 0 HEADLO O=C(NCc1ccc(F)cc1)C(=O)N1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC000742040260 1076728608 /nfs/dbraw/zinc/72/86/08/1076728608.db2.gz FWQBYFACMALOFW-UHFFFAOYSA-N 1 2 406.461 2.335 20 0 HEADLO Cc1c(C(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)cnn1-c1ccc(=O)[nH]n1 ZINC000742109428 1076745031 /nfs/dbraw/zinc/74/50/31/1076745031.db2.gz PCYFAAUMIVNPHJ-UHFFFAOYSA-N 1 2 421.505 2.141 20 0 HEADLO C[C@@H](Sc1nnnn1C1CC1)C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000742114767 1076746669 /nfs/dbraw/zinc/74/66/69/1076746669.db2.gz VXMINTBVZDEFQB-CQSZACIVSA-N 1 2 415.567 2.340 20 0 HEADLO CCS(=O)(=O)c1ccc2oc(=S)n(CN3CC[NH+](CC(C)(C)O)CC3)c2c1 ZINC000742151087 1076766916 /nfs/dbraw/zinc/76/69/16/1076766916.db2.gz NXXBEDAVFGXGQE-UHFFFAOYSA-N 1 2 413.565 2.103 20 0 HEADLO COCCCOC1CC[NH+](CN2C(=O)C(=O)N(CCC3=CCCCC3)C2=O)CC1 ZINC000742153369 1076768349 /nfs/dbraw/zinc/76/83/49/1076768349.db2.gz XJNJGAWERCWNRT-UHFFFAOYSA-N 1 2 407.511 2.143 20 0 HEADLO COc1ccc(C[C@H]2CCC[N@H+](Cn3nc(CCC(N)=O)n(C)c3=S)C2)cc1 ZINC000742155482 1076769599 /nfs/dbraw/zinc/76/95/99/1076769599.db2.gz JSQOINCOQULVIR-MRXNPFEDSA-N 1 2 403.552 2.290 20 0 HEADLO COc1ccc(C[C@H]2CCC[N@@H+](Cn3nc(CCC(N)=O)n(C)c3=S)C2)cc1 ZINC000742155482 1076769601 /nfs/dbraw/zinc/76/96/01/1076769601.db2.gz JSQOINCOQULVIR-MRXNPFEDSA-N 1 2 403.552 2.290 20 0 HEADLO O=C1C[C@@H]([N@@H+]2CCc3c(cccc3N3CCOC3=O)C2)C(=O)N1c1ccc(F)cc1 ZINC000742264483 1076811120 /nfs/dbraw/zinc/81/11/20/1076811120.db2.gz CSDAMHVAIKCBMU-LJQANCHMSA-N 1 2 409.417 2.473 20 0 HEADLO O=C1C[C@@H]([N@H+]2CCc3c(cccc3N3CCOC3=O)C2)C(=O)N1c1ccc(F)cc1 ZINC000742264483 1076811121 /nfs/dbraw/zinc/81/11/21/1076811121.db2.gz CSDAMHVAIKCBMU-LJQANCHMSA-N 1 2 409.417 2.473 20 0 HEADLO CCOC(=O)N1CCC(S(=O)(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)CC1 ZINC000742283358 1076815790 /nfs/dbraw/zinc/81/57/90/1076815790.db2.gz ZAWSZWNAMYRITA-UHFFFAOYSA-N 1 2 410.471 2.052 20 0 HEADLO CC(=O)NCc1ccc(S(=O)(=O)N[C@H](Cc2[nH+]ccn2C)c2ccccc2)cc1 ZINC000742340188 1076826575 /nfs/dbraw/zinc/82/65/75/1076826575.db2.gz ANCMHIWQBAWCQN-HXUWFJFHSA-N 1 2 412.515 2.319 20 0 HEADLO O=S(=O)(/C=C\c1ccccc1Br)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000742316407 1076828664 /nfs/dbraw/zinc/82/86/64/1076828664.db2.gz IRRBVTPZQKCPMO-NYXMJBRJSA-N 1 2 415.353 2.404 20 0 HEADLO CC(C)N(CC(F)(F)F)C(=O)CON=C(N)c1cccc(C[NH+]2CCOCC2)c1 ZINC000742357188 1076829823 /nfs/dbraw/zinc/82/98/23/1076829823.db2.gz QUYGEFGDFSZLCR-UHFFFAOYSA-N 1 2 416.444 2.165 20 0 HEADLO CC(C)(C)OC(=O)N1CCC[C@@H]1CC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000742576065 1076852848 /nfs/dbraw/zinc/85/28/48/1076852848.db2.gz XEWFFHSQCSLOCD-OXQOHEQNSA-N 1 2 413.584 2.100 20 0 HEADLO CC(C)=CC(=O)NCc1ccc(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)cc1 ZINC000742653295 1076859308 /nfs/dbraw/zinc/85/93/08/1076859308.db2.gz JOFUOYPNHFLKMI-UHFFFAOYSA-N 1 2 411.506 2.050 20 0 HEADLO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2S(=O)(=O)c2ccc3oc(=O)ccc3c2)C[C@H](C)O1 ZINC000742632688 1076859421 /nfs/dbraw/zinc/85/94/21/1076859421.db2.gz KAOLKVQDWTXWAB-UXLLHSPISA-N 1 2 406.504 2.055 20 0 HEADLO C[C@@H]1C[N@H+](C[C@@H]2CCCN2S(=O)(=O)c2ccc3oc(=O)ccc3c2)C[C@H](C)O1 ZINC000742632688 1076859422 /nfs/dbraw/zinc/85/94/22/1076859422.db2.gz KAOLKVQDWTXWAB-UXLLHSPISA-N 1 2 406.504 2.055 20 0 HEADLO C[C@H](C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)c1ccc(Br)s1 ZINC000742656740 1076865547 /nfs/dbraw/zinc/86/55/47/1076865547.db2.gz HUKZIUNFJFHLPW-NSHDSACASA-N 1 2 423.398 2.239 20 0 HEADLO Cc1sc(=O)n(CC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)c1-c1ccc(F)cc1 ZINC000742760699 1076874902 /nfs/dbraw/zinc/87/49/02/1076874902.db2.gz CGMKURKWCODDAR-GOSISDBHSA-N 1 2 419.522 2.348 20 0 HEADLO Cc1cc(Cl)ncc1NC(=O)C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000766288685 1076885258 /nfs/dbraw/zinc/88/52/58/1076885258.db2.gz ZTVCJZIDMZKIQZ-UHFFFAOYSA-N 1 2 402.882 2.131 20 0 HEADLO COCC[S@@](=O)Cc1cccc(NC(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)c1 ZINC000743159307 1076978851 /nfs/dbraw/zinc/97/88/51/1076978851.db2.gz XJBOGWVRHSCJEG-AFJIDDCJSA-N 1 2 423.579 2.300 20 0 HEADLO C[N@H+](CC(=O)NCCN1C(=O)S/C(=C/c2cccnc2)C1=O)Cc1ccsc1 ZINC000743272450 1077021201 /nfs/dbraw/zinc/02/12/01/1077021201.db2.gz HMJHUYUTSILTDW-CXUHLZMHSA-N 1 2 416.528 2.428 20 0 HEADLO C[N@@H+](CC(=O)NCCN1C(=O)S/C(=C/c2cccnc2)C1=O)Cc1ccsc1 ZINC000743272450 1077021207 /nfs/dbraw/zinc/02/12/07/1077021207.db2.gz HMJHUYUTSILTDW-CXUHLZMHSA-N 1 2 416.528 2.428 20 0 HEADLO Cc1ccccc1[C@]1(C)NC(=O)N(C[NH+]2CCC(c3nnc4n3CCC4)CC2)C1=O ZINC000743354017 1077030898 /nfs/dbraw/zinc/03/08/98/1077030898.db2.gz JSLWJSZMEPQBRT-QFIPXVFZSA-N 1 2 408.506 2.137 20 0 HEADLO C[C@@H]1C[N@H+](CN2C(=O)N[C@@]3(CCCC[C@@H]3CNC(=O)OC(C)(C)C)C2=O)CCCO1 ZINC000743368590 1077033790 /nfs/dbraw/zinc/03/37/90/1077033790.db2.gz QJCQKHNTAOZCSV-WHSLLNHNSA-N 1 2 424.542 2.060 20 0 HEADLO C[C@@H]1C[N@@H+](CN2C(=O)N[C@@]3(CCCC[C@@H]3CNC(=O)OC(C)(C)C)C2=O)CCCO1 ZINC000743368590 1077033796 /nfs/dbraw/zinc/03/37/96/1077033796.db2.gz QJCQKHNTAOZCSV-WHSLLNHNSA-N 1 2 424.542 2.060 20 0 HEADLO COC1CC[NH+](CN2C(=O)N[C@]3(CCCC[C@H]3CNC(=O)OC(C)(C)C)C2=O)CC1 ZINC000743348221 1077036055 /nfs/dbraw/zinc/03/60/55/1077036055.db2.gz IBIBOCKWOCFGSV-BTYIYWSLSA-N 1 2 424.542 2.060 20 0 HEADLO CN(C[C@@H]1CCC[N@@H+]1CN1C(=O)N[C@H](Cc2ccccc2)C1=O)C(=O)OC(C)(C)C ZINC000743393102 1077040550 /nfs/dbraw/zinc/04/05/50/1077040550.db2.gz HFWKEEJBNFOOFS-ZWKOTPCHSA-N 1 2 416.522 2.438 20 0 HEADLO CN(C[C@@H]1CCC[N@H+]1CN1C(=O)N[C@H](Cc2ccccc2)C1=O)C(=O)OC(C)(C)C ZINC000743393102 1077040558 /nfs/dbraw/zinc/04/05/58/1077040558.db2.gz HFWKEEJBNFOOFS-ZWKOTPCHSA-N 1 2 416.522 2.438 20 0 HEADLO CC(C)(C)C1CCC2(CC1)NC(=O)N(CN1CCC[C@@H]1C[NH+]1CCOCC1)C2=O ZINC000743375332 1077044185 /nfs/dbraw/zinc/04/41/85/1077044185.db2.gz NSWZQRITOJIHGV-WUZYXKQASA-N 1 2 406.571 2.267 20 0 HEADLO COC(=O)N1CCC(NC(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)CC1 ZINC000743581381 1077072646 /nfs/dbraw/zinc/07/26/46/1077072646.db2.gz VCUNQVQNMFXUHH-UHFFFAOYSA-N 1 2 403.527 2.251 20 0 HEADLO O=C(NCC[C@H](O)c1ccccc1)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000743567401 1077074004 /nfs/dbraw/zinc/07/40/04/1077074004.db2.gz OPLJRPGYKCXRHQ-NRFANRHFSA-N 1 2 413.518 2.321 20 0 HEADLO Cn1cc([C@H](O)CNC(=O)N[C@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)cn1 ZINC000743604169 1077074314 /nfs/dbraw/zinc/07/43/14/1077074314.db2.gz MHVOSTPHTFFTGE-FUHWJXTLSA-N 1 2 409.893 2.210 20 0 HEADLO Cn1cc([C@H](O)CNC(=O)N[C@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)cn1 ZINC000743604169 1077074320 /nfs/dbraw/zinc/07/43/20/1077074320.db2.gz MHVOSTPHTFFTGE-FUHWJXTLSA-N 1 2 409.893 2.210 20 0 HEADLO CC(C)[C@@H](Cc1ccc(F)cc1)NC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000743602186 1077078868 /nfs/dbraw/zinc/07/88/68/1077078868.db2.gz MZXCQIWCCICUCY-LJQANCHMSA-N 1 2 413.559 2.201 20 0 HEADLO O=C(C[N@@H+]1CCc2c(cccc2N2CCOC2=O)C1)NCCOc1cccc(F)c1 ZINC000743857570 1077144200 /nfs/dbraw/zinc/14/42/00/1077144200.db2.gz FYJPGVYQUDXLSK-UHFFFAOYSA-N 1 2 413.449 2.336 20 0 HEADLO O=C(C[N@H+]1CCc2c(cccc2N2CCOC2=O)C1)NCCOc1cccc(F)c1 ZINC000743857570 1077144211 /nfs/dbraw/zinc/14/42/11/1077144211.db2.gz FYJPGVYQUDXLSK-UHFFFAOYSA-N 1 2 413.449 2.336 20 0 HEADLO Cc1ccc(N2CCOC2=O)cc1NC(=O)C(=O)N[C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000743886788 1077181051 /nfs/dbraw/zinc/18/10/51/1077181051.db2.gz BQOULYTVXMRSOL-KRWDZBQOSA-N 1 2 413.478 2.318 20 0 HEADLO Cc1[nH]c(=S)sc1CC(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000743936558 1077226493 /nfs/dbraw/zinc/22/64/93/1077226493.db2.gz CIZDFCBTTIJPOF-UHFFFAOYSA-N 1 2 407.561 2.310 20 0 HEADLO CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)NCC[C@H](O)c3ccccc3)cc2)CC1 ZINC000743976903 1077291141 /nfs/dbraw/zinc/29/11/41/1077291141.db2.gz BPCYPTWCBFDBLH-QFIPXVFZSA-N 1 2 424.545 2.003 20 0 HEADLO C[C@H](c1cccc(NC(=O)C(=O)NCC[C@@H](O)c2ccccc2)c1)[NH+]1CCOCC1 ZINC000743979069 1077292986 /nfs/dbraw/zinc/29/29/86/1077292986.db2.gz BOWTWCYCIBRDCM-DYESRHJHSA-N 1 2 411.502 2.258 20 0 HEADLO CC(C)CNC(=O)C1CC[NH+](CN2C(=O)N[C@](C)(c3ccccc3F)C2=O)CC1 ZINC000744130455 1077326267 /nfs/dbraw/zinc/32/62/67/1077326267.db2.gz LWCYDXWLTUNHIG-OAQYLSRUSA-N 1 2 404.486 2.034 20 0 HEADLO C[C@@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)[NH+]1CCC(c2cc3ccccc3[nH]2)CC1 ZINC000744232870 1077346287 /nfs/dbraw/zinc/34/62/87/1077346287.db2.gz NVWVVXTYXSNMBF-MAUKXSAKSA-N 1 2 403.548 2.381 20 0 HEADLO O=C(NCc1ccccc1OCC[NH+]1CCOCC1)NC[C@H]1CC1(Cl)Cl ZINC000744291685 1077357471 /nfs/dbraw/zinc/35/74/71/1077357471.db2.gz FQDPFUKZJKPDHR-OAHLLOKOSA-N 1 2 402.322 2.391 20 0 HEADLO CCNC(=O)c1cccc(NC(=O)C[N@@H+]2CCc3c(cccc3N3CCOC3=O)C2)c1 ZINC000744415147 1077377871 /nfs/dbraw/zinc/37/78/71/1077377871.db2.gz WAAJOHXHKAHIJP-UHFFFAOYSA-N 1 2 422.485 2.390 20 0 HEADLO CCNC(=O)c1cccc(NC(=O)C[N@H+]2CCc3c(cccc3N3CCOC3=O)C2)c1 ZINC000744415147 1077377879 /nfs/dbraw/zinc/37/78/79/1077377879.db2.gz WAAJOHXHKAHIJP-UHFFFAOYSA-N 1 2 422.485 2.390 20 0 HEADLO C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@@H+]1CCc2c(cccc2N2CCOC2=O)C1 ZINC000744415264 1077378297 /nfs/dbraw/zinc/37/82/97/1077378297.db2.gz XVHFCFXYYQEOTP-CQSZACIVSA-N 1 2 408.458 2.127 20 0 HEADLO C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@H+]1CCc2c(cccc2N2CCOC2=O)C1 ZINC000744415264 1077378305 /nfs/dbraw/zinc/37/83/05/1077378305.db2.gz XVHFCFXYYQEOTP-CQSZACIVSA-N 1 2 408.458 2.127 20 0 HEADLO CC(C)[C@H]1C[N@H+](CC(=O)NN2C(=O)N[C@](C)(CCc3ccccc3)C2=O)CCS1 ZINC000744422507 1077386306 /nfs/dbraw/zinc/38/63/06/1077386306.db2.gz GPGYWQQORAYLMH-DYESRHJHSA-N 1 2 418.563 2.034 20 0 HEADLO CC(C)[C@H]1C[N@@H+](CC(=O)NN2C(=O)N[C@](C)(CCc3ccccc3)C2=O)CCS1 ZINC000744422507 1077386312 /nfs/dbraw/zinc/38/63/12/1077386312.db2.gz GPGYWQQORAYLMH-DYESRHJHSA-N 1 2 418.563 2.034 20 0 HEADLO COCCC[N@@H+](Cc1ccncc1)CN1CC2(CN(C(=O)OC(C)(C)C)C2)CC1=O ZINC000744434920 1077393086 /nfs/dbraw/zinc/39/30/86/1077393086.db2.gz KETJQDUQMOQWNZ-UHFFFAOYSA-N 1 2 418.538 2.347 20 0 HEADLO COCCC[N@H+](Cc1ccncc1)CN1CC2(CN(C(=O)OC(C)(C)C)C2)CC1=O ZINC000744434920 1077393092 /nfs/dbraw/zinc/39/30/92/1077393092.db2.gz KETJQDUQMOQWNZ-UHFFFAOYSA-N 1 2 418.538 2.347 20 0 HEADLO CC(=O)OC1CCN(C(=O)N[C@@H](c2ccc(Cl)cc2)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000766320439 1077434477 /nfs/dbraw/zinc/43/44/77/1077434477.db2.gz OLFSRUDIQHRIEW-OALUTQOASA-N 1 2 409.914 2.449 20 0 HEADLO CC(=O)OC1CCN(C(=O)N[C@@H](c2ccc(Cl)cc2)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000766320439 1077434493 /nfs/dbraw/zinc/43/44/93/1077434493.db2.gz OLFSRUDIQHRIEW-OALUTQOASA-N 1 2 409.914 2.449 20 0 HEADLO COc1ccccc1NCC(=O)OCC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000745011145 1077694804 /nfs/dbraw/zinc/69/48/04/1077694804.db2.gz BCNJXBXZGUJCHZ-UHFFFAOYSA-N 1 2 403.504 2.056 20 0 HEADLO COc1ccccc1NCC(=O)OCC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000745014617 1077706136 /nfs/dbraw/zinc/70/61/36/1077706136.db2.gz ZSBKWNVJPLGQKL-UHFFFAOYSA-N 1 2 413.474 2.121 20 0 HEADLO CC[N@@H+]1CCCC[C@@H]1C(=O)O[C@@H](C)C(=O)Nc1cc(C(=O)OC)cc(C(=O)OC)c1 ZINC000745086914 1077724258 /nfs/dbraw/zinc/72/42/58/1077724258.db2.gz PLFLERGMOQKASP-SUMWQHHRSA-N 1 2 420.462 2.004 20 0 HEADLO CC[N@H+]1CCCC[C@@H]1C(=O)O[C@@H](C)C(=O)Nc1cc(C(=O)OC)cc(C(=O)OC)c1 ZINC000745086914 1077724264 /nfs/dbraw/zinc/72/42/64/1077724264.db2.gz PLFLERGMOQKASP-SUMWQHHRSA-N 1 2 420.462 2.004 20 0 HEADLO CC[NH+](CC)[C@@H](C(=O)O[C@H](C)C(=O)NC(=O)NC)c1cccc(C(F)(F)F)c1 ZINC000745093525 1077727330 /nfs/dbraw/zinc/72/73/30/1077727330.db2.gz HGADANNDGVNSDT-BXUZGUMPSA-N 1 2 403.401 2.476 20 0 HEADLO CC[N@H+](C)[C@H](C(=O)OCc1nnc2n1c1ccsc1c(=O)n2C)c1ccccc1 ZINC000745098737 1077729155 /nfs/dbraw/zinc/72/91/55/1077729155.db2.gz VKCJPEISGDZALL-INIZCTEOSA-N 1 2 411.487 2.379 20 0 HEADLO CC[N@@H+](C)[C@H](C(=O)OCc1nnc2n1c1ccsc1c(=O)n2C)c1ccccc1 ZINC000745098737 1077729165 /nfs/dbraw/zinc/72/91/65/1077729165.db2.gz VKCJPEISGDZALL-INIZCTEOSA-N 1 2 411.487 2.379 20 0 HEADLO COC(=O)C1CCN(C(=O)[C@H](C)OC(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)CC1 ZINC000745105355 1077740499 /nfs/dbraw/zinc/74/04/99/1077740499.db2.gz SXJPNWGNWSBPTR-FXAWDEMLSA-N 1 2 416.518 2.384 20 0 HEADLO COC(=O)C1CCN(C(=O)[C@H](C)OC(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC000745105355 1077740503 /nfs/dbraw/zinc/74/05/03/1077740503.db2.gz SXJPNWGNWSBPTR-FXAWDEMLSA-N 1 2 416.518 2.384 20 0 HEADLO Cc1nn(C)c(C)c1C[C@H](C)C(=O)OCC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000745276846 1077800692 /nfs/dbraw/zinc/80/06/92/1077800692.db2.gz ZJYUATFPIHBHEU-HNNXBMFYSA-N 1 2 418.563 2.165 20 0 HEADLO C[C@H](C(=O)Nc1sccc1C(N)=O)[N@@H+]1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000771792350 1079509342 /nfs/dbraw/zinc/50/93/42/1079509342.db2.gz VQDWMQDQSQAMKA-ZIAGYGMSSA-N 1 2 416.551 2.372 20 0 HEADLO C[C@H](C(=O)Nc1sccc1C(N)=O)[N@H+]1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000771792350 1079509349 /nfs/dbraw/zinc/50/93/49/1079509349.db2.gz VQDWMQDQSQAMKA-ZIAGYGMSSA-N 1 2 416.551 2.372 20 0 HEADLO COC(=O)c1cccc([C@H](C(=O)OC)[N@@H+]2CCC[C@H]2C[C@H](O)c2cnn(C)c2)c1 ZINC000766957878 1079521656 /nfs/dbraw/zinc/52/16/56/1079521656.db2.gz NBOCYJPWQKGOAV-GBESFXJTSA-N 1 2 401.463 2.009 20 0 HEADLO COC(=O)c1cccc([C@H](C(=O)OC)[N@H+]2CCC[C@H]2C[C@H](O)c2cnn(C)c2)c1 ZINC000766957878 1079521664 /nfs/dbraw/zinc/52/16/64/1079521664.db2.gz NBOCYJPWQKGOAV-GBESFXJTSA-N 1 2 401.463 2.009 20 0 HEADLO CC(C)(C)OC(=O)NCc1cc(C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)ccn1 ZINC000766977944 1079573918 /nfs/dbraw/zinc/57/39/18/1079573918.db2.gz WHODZZLIUQUBNF-SFHVURJKSA-N 1 2 404.511 2.043 20 0 HEADLO C[C@H](C(=O)Nc1ccc(N2CCOCC2)cc1)[NH+]1CCC([C@H](O)C(F)(F)F)CC1 ZINC000767019146 1079592964 /nfs/dbraw/zinc/59/29/64/1079592964.db2.gz GBPYINKRJAXBDJ-KDOFPFPSSA-N 1 2 415.456 2.485 20 0 HEADLO CCOC(=O)C1C(C[N@@H+]2CCC[C@@](C)(O)C2)=NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000767020975 1079594859 /nfs/dbraw/zinc/59/48/59/1079594859.db2.gz ZQFYKVHNOHZCPS-YLJYHZDGSA-N 1 2 407.898 2.358 20 0 HEADLO CCOC(=O)C1C(C[N@H+]2CCC[C@@](C)(O)C2)=NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000767020975 1079594867 /nfs/dbraw/zinc/59/48/67/1079594867.db2.gz ZQFYKVHNOHZCPS-YLJYHZDGSA-N 1 2 407.898 2.358 20 0 HEADLO COc1cc(C)c([C@@H](C)NC(=O)COC(=O)C[N@H+](C)[C@@H]2CCSC2)cc1OC ZINC000767110106 1079663841 /nfs/dbraw/zinc/66/38/41/1079663841.db2.gz HAKZAIOVKROGIK-HUUCEWRRSA-N 1 2 410.536 2.170 20 0 HEADLO COc1cc(C)c([C@@H](C)NC(=O)COC(=O)C[N@@H+](C)[C@@H]2CCSC2)cc1OC ZINC000767110106 1079663864 /nfs/dbraw/zinc/66/38/64/1079663864.db2.gz HAKZAIOVKROGIK-HUUCEWRRSA-N 1 2 410.536 2.170 20 0 HEADLO CC(C)(C)OC(=O)N1C[C@@H]([N@@H+]2Cc3cccnc3C2)C[C@H]1C(=O)N1CCSC1 ZINC001170037654 1079692859 /nfs/dbraw/zinc/69/28/59/1079692859.db2.gz ITBVDWFHJOHKLD-RDJZCZTQSA-N 1 2 404.536 2.308 20 0 HEADLO CC(C)(C)OC(=O)N1C[C@@H]([N@H+]2Cc3cccnc3C2)C[C@H]1C(=O)N1CCSC1 ZINC001170037654 1079692863 /nfs/dbraw/zinc/69/28/63/1079692863.db2.gz ITBVDWFHJOHKLD-RDJZCZTQSA-N 1 2 404.536 2.308 20 0 HEADLO C[N@H+](CC(=O)OCC(=O)N1c2ccccc2NC(=O)C12CCCC2)[C@H]1CCSC1 ZINC000772063247 1079705604 /nfs/dbraw/zinc/70/56/04/1079705604.db2.gz UCVGQVNTCXQGTL-HNNXBMFYSA-N 1 2 417.531 2.265 20 0 HEADLO C[N@@H+](CC(=O)OCC(=O)N1c2ccccc2NC(=O)C12CCCC2)[C@H]1CCSC1 ZINC000772063247 1079705618 /nfs/dbraw/zinc/70/56/18/1079705618.db2.gz UCVGQVNTCXQGTL-HNNXBMFYSA-N 1 2 417.531 2.265 20 0 HEADLO C[N@H+](CC(=O)OCC(=O)N1c2ccccc2NC(=O)C12CCCC2)[C@@H]1CCSC1 ZINC000772063252 1079705856 /nfs/dbraw/zinc/70/58/56/1079705856.db2.gz UCVGQVNTCXQGTL-OAHLLOKOSA-N 1 2 417.531 2.265 20 0 HEADLO C[N@@H+](CC(=O)OCC(=O)N1c2ccccc2NC(=O)C12CCCC2)[C@@H]1CCSC1 ZINC000772063252 1079705865 /nfs/dbraw/zinc/70/58/65/1079705865.db2.gz UCVGQVNTCXQGTL-OAHLLOKOSA-N 1 2 417.531 2.265 20 0 HEADLO COc1ccc([C@@H](OC)[C@@H](C)NC(=O)C(=O)Nc2ccc(C)[nH+]c2N(C)C)cc1 ZINC000772274442 1079776578 /nfs/dbraw/zinc/77/65/78/1079776578.db2.gz HIXZJFFJTOGTLH-KDOFPFPSSA-N 1 2 400.479 2.296 20 0 HEADLO CN(C)c1ccc(N2C(=O)C[C@H]([NH+]3CCC([C@](C)(O)C(F)(F)F)CC3)C2=O)cc1 ZINC000767359828 1079828609 /nfs/dbraw/zinc/82/86/09/1079828609.db2.gz IFEDQOFXNIDUOJ-LPHOPBHVSA-N 1 2 413.440 2.410 20 0 HEADLO C[C@@H](C(=O)Nc1ccc(F)c(F)c1)[NH+]1CCC(Oc2ccnc(C(N)=O)c2)CC1 ZINC000772336678 1079829696 /nfs/dbraw/zinc/82/96/96/1079829696.db2.gz SPQVNCROJPDIJE-LBPRGKRZSA-N 1 2 404.417 2.329 20 0 HEADLO Cc1nc(S(=O)(=O)NC[C@H](c2ccsc2)[NH+](C)C)c(Br)n1C ZINC000804947865 1079863333 /nfs/dbraw/zinc/86/33/33/1079863333.db2.gz RWZCQHLWMQZIIK-LLVKDONJSA-N 1 2 407.359 2.134 20 0 HEADLO O=C(OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000767498276 1079890985 /nfs/dbraw/zinc/89/09/85/1079890985.db2.gz OKLKKRXRQVUJJZ-IXDOHACOSA-N 1 2 423.307 2.208 20 0 HEADLO O=C(OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000767498276 1079890987 /nfs/dbraw/zinc/89/09/87/1079890987.db2.gz OKLKKRXRQVUJJZ-IXDOHACOSA-N 1 2 423.307 2.208 20 0 HEADLO CC(C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000767482614 1079899852 /nfs/dbraw/zinc/89/98/52/1079899852.db2.gz NFDYLFYGHORRQT-LVCYWYKZSA-N 1 2 413.518 2.258 20 0 HEADLO CC(C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000767482614 1079899854 /nfs/dbraw/zinc/89/98/54/1079899854.db2.gz NFDYLFYGHORRQT-LVCYWYKZSA-N 1 2 413.518 2.258 20 0 HEADLO COc1cc(C)c(C[NH+]2CCN(C(=O)COC(=O)[C@H]3C[C@H]3C(C)C)CC2)cc1OC ZINC000772504419 1079930811 /nfs/dbraw/zinc/93/08/11/1079930811.db2.gz YFJNBTGBBSFDJU-OALUTQOASA-N 1 2 418.534 2.492 20 0 HEADLO C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000772582269 1079941958 /nfs/dbraw/zinc/94/19/58/1079941958.db2.gz XJAACTYMNGVTGJ-ROUUACIJSA-N 1 2 417.554 2.108 20 0 HEADLO O=C(CCC(=O)N1CCN(c2cccc[nH+]2)CC1)OCC(=O)c1ccc(F)c(F)c1 ZINC000767539770 1079943004 /nfs/dbraw/zinc/94/30/04/1079943004.db2.gz UUXMEPVRLSSSRK-UHFFFAOYSA-N 1 2 417.412 2.215 20 0 HEADLO Cc1cccc(NC(=O)[C@@H](C)OC(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)c1 ZINC000767540526 1079946723 /nfs/dbraw/zinc/94/67/23/1079946723.db2.gz YHODITJFXBKBOB-GOSISDBHSA-N 1 2 424.501 2.389 20 0 HEADLO O=C(Cc1cccc(I)c1)OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000767570036 1079979877 /nfs/dbraw/zinc/97/98/77/1079979877.db2.gz WNPAHBJFWDDNFK-GASCZTMLSA-N 1 2 401.244 2.240 20 0 HEADLO O=C(Cc1cccc(I)c1)OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000767570036 1079979903 /nfs/dbraw/zinc/97/99/03/1079979903.db2.gz WNPAHBJFWDDNFK-GASCZTMLSA-N 1 2 401.244 2.240 20 0 HEADLO Cn1cc[nH+]c1[C@H]1CCCN(S(=O)(=O)[C@@H]2CCCN(C(=O)c3ccccc3)C2)C1 ZINC000767655818 1080023060 /nfs/dbraw/zinc/02/30/60/1080023060.db2.gz NLAFLUCMBGJPLS-RBUKOAKNSA-N 1 2 416.547 2.234 20 0 HEADLO CC1(c2ccc(S(=O)(=O)NCC3([NH+]4CCOCC4)CCCCC3)cc2)OCCO1 ZINC000767664862 1080026267 /nfs/dbraw/zinc/02/62/67/1080026267.db2.gz KVGNCBGMCGLRFY-UHFFFAOYSA-N 1 2 424.563 2.220 20 0 HEADLO COc1cc(S(=O)(=O)N2CCC[C@@H]2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cnc1Cl ZINC000767730670 1080058102 /nfs/dbraw/zinc/05/81/02/1080058102.db2.gz ZLZXLUOCUGWLEZ-HZSPNIEDSA-N 1 2 403.932 2.006 20 0 HEADLO COc1cc(S(=O)(=O)N2CCC[C@@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cnc1Cl ZINC000767730670 1080058110 /nfs/dbraw/zinc/05/81/10/1080058110.db2.gz ZLZXLUOCUGWLEZ-HZSPNIEDSA-N 1 2 403.932 2.006 20 0 HEADLO C[C@@H]1CCC[C@@H](NC(=O)C[NH+]2CCN(c3ccc(NS(C)(=O)=O)cc3)CC2)[C@@H]1C ZINC000767744308 1080062286 /nfs/dbraw/zinc/06/22/86/1080062286.db2.gz AHAAIEGUFDRLAG-MBOZVWFJSA-N 1 2 422.595 2.121 20 0 HEADLO CC(C)N(C(=O)C[NH+]1CCN(c2ccc(NS(C)(=O)=O)cc2)CC1)C1CCCC1 ZINC000767750504 1080066598 /nfs/dbraw/zinc/06/65/98/1080066598.db2.gz OROMNJILRGENPC-UHFFFAOYSA-N 1 2 422.595 2.360 20 0 HEADLO CS(=O)(=O)Nc1ccc(N2CC[NH+](CC(=O)NC3CCCCCC3)CC2)cc1 ZINC000767750674 1080067108 /nfs/dbraw/zinc/06/71/08/1080067108.db2.gz KHJFAGIBDZGKCA-UHFFFAOYSA-N 1 2 408.568 2.019 20 0 HEADLO C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)[NH+]1CCN(c2ccc(NS(C)(=O)=O)cc2)CC1 ZINC000767753952 1080070500 /nfs/dbraw/zinc/07/05/00/1080070500.db2.gz ONZIWFXUSIAKHU-HLIPFELVSA-N 1 2 422.595 2.264 20 0 HEADLO Cc1cc(C)cc(NC(=O)C[NH+]2CCN(c3ccc(NS(C)(=O)=O)cc3)CC2)c1 ZINC000767751674 1080085556 /nfs/dbraw/zinc/08/55/56/1080085556.db2.gz UQHFVAGALINWJC-UHFFFAOYSA-N 1 2 416.547 2.436 20 0 HEADLO C[C@@H](OC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc(C(F)(F)F)cc1 ZINC000785664065 1080184973 /nfs/dbraw/zinc/18/49/73/1080184973.db2.gz QTMUCNKARIGNAA-GDBMZVCRSA-N 1 2 414.424 2.490 20 0 HEADLO CCOC1CC(CNC(=O)N[C@@H]2CCCc3cn(C(C)C)nc32)([NH+]2CCOCC2)C1 ZINC000767896868 1080220660 /nfs/dbraw/zinc/22/06/60/1080220660.db2.gz RGRKYGBQIBCYEM-GSVIPDFHSA-N 1 2 419.570 2.411 20 0 HEADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)C[C@@H](O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000772670832 1080234180 /nfs/dbraw/zinc/23/41/80/1080234180.db2.gz CCAADROOZPVPDZ-MRXNPFEDSA-N 1 2 423.362 2.042 20 0 HEADLO CC[C@]1(C)CC(=O)N(C[N@@H+]2CCC[C@H](CNS(=O)(=O)c3ccc(C)cc3)C2)C1=O ZINC000767975265 1080244267 /nfs/dbraw/zinc/24/42/67/1080244267.db2.gz ZINCMXXFIULKJX-DYESRHJHSA-N 1 2 421.563 2.118 20 0 HEADLO CC[C@]1(C)CC(=O)N(C[N@H+]2CCC[C@H](CNS(=O)(=O)c3ccc(C)cc3)C2)C1=O ZINC000767975265 1080244276 /nfs/dbraw/zinc/24/42/76/1080244276.db2.gz ZINCMXXFIULKJX-DYESRHJHSA-N 1 2 421.563 2.118 20 0 HEADLO C[N@@H+]1CCN(C(=O)N[C@H]2CCOc3c(F)cccc32)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000785972161 1080330236 /nfs/dbraw/zinc/33/02/36/1080330236.db2.gz XSZPOTMVKLEYPR-YOEHRIQHSA-N 1 2 422.501 2.500 20 0 HEADLO C[N@H+]1CCN(C(=O)N[C@H]2CCOc3c(F)cccc32)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000785972161 1080330242 /nfs/dbraw/zinc/33/02/42/1080330242.db2.gz XSZPOTMVKLEYPR-YOEHRIQHSA-N 1 2 422.501 2.500 20 0 HEADLO COCCN(CCNC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1)C(=O)OC(C)(C)C ZINC000768115685 1080349147 /nfs/dbraw/zinc/34/91/47/1080349147.db2.gz SNVVSGNPTVGPSN-DLBZAZTESA-N 1 2 409.531 2.359 20 0 HEADLO O=C(COC(=O)c1cc2ccccn2c1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000785993134 1080354829 /nfs/dbraw/zinc/35/48/29/1080354829.db2.gz QVRMHUWCNALNQW-UHFFFAOYSA-N 1 2 407.470 2.245 20 0 HEADLO O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)Nc1cccc(Br)n1 ZINC000786152581 1080426849 /nfs/dbraw/zinc/42/68/49/1080426849.db2.gz ZETSGCUYYMXZPW-HNNXBMFYSA-N 1 2 401.330 2.174 20 0 HEADLO CC(C)n1ncc2cc(CN3CC[NH+]([C@@H](C)C(=O)NC4CC4)CC3)c(Cl)nc21 ZINC000768232133 1080434342 /nfs/dbraw/zinc/43/43/42/1080434342.db2.gz YPLSABYHWBSRHN-AWEZNQCLSA-N 1 2 404.946 2.450 20 0 HEADLO CN(CCCn1cc[nH+]c1)C(=O)c1cn(C2CCN(C(=O)OC(C)(C)C)CC2)nn1 ZINC000768325173 1080487196 /nfs/dbraw/zinc/48/71/96/1080487196.db2.gz SQSFPSOBMXNPBU-UHFFFAOYSA-N 1 2 417.514 2.209 20 0 HEADLO O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)c1ccc(-n2cnc3ccccc32)nc1 ZINC000768338291 1080496250 /nfs/dbraw/zinc/49/62/50/1080496250.db2.gz NKSLGCWSFAYWLA-JOCHJYFZSA-N 1 2 423.542 2.358 20 0 HEADLO CC(C)[C@@H]1CCO[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N(C)Cc1ccco1 ZINC001109302256 1080583440 /nfs/dbraw/zinc/58/34/40/1080583440.db2.gz ZMGXJJXIFAWDCC-KQGMHSTHSA-N 1 2 403.523 2.021 20 0 HEADLO CC(C)[C@@H]1CCO[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N(C)Cc1ccco1 ZINC001109302256 1080583451 /nfs/dbraw/zinc/58/34/51/1080583451.db2.gz ZMGXJJXIFAWDCC-KQGMHSTHSA-N 1 2 403.523 2.021 20 0 HEADLO CC(C)[C@@H]1CCO[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(C1CC1)C1CC1 ZINC001109301942 1080583502 /nfs/dbraw/zinc/58/35/02/1080583502.db2.gz QVANSFXWKQOBEF-PEXPKUBFSA-N 1 2 403.567 2.074 20 0 HEADLO CC(C)[C@@H]1CCO[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(C1CC1)C1CC1 ZINC001109301942 1080583513 /nfs/dbraw/zinc/58/35/13/1080583513.db2.gz QVANSFXWKQOBEF-PEXPKUBFSA-N 1 2 403.567 2.074 20 0 HEADLO COC(=O)c1ccc(C)c(NC(=O)N2CC[N@H+](C)C[C@H]2CNC(=O)OC(C)(C)C)c1 ZINC000768499145 1080593855 /nfs/dbraw/zinc/59/38/55/1080593855.db2.gz WIVBZIMFQSMEAD-MRXNPFEDSA-N 1 2 420.510 2.454 20 0 HEADLO COC(=O)c1ccc(C)c(NC(=O)N2CC[N@@H+](C)C[C@H]2CNC(=O)OC(C)(C)C)c1 ZINC000768499145 1080593859 /nfs/dbraw/zinc/59/38/59/1080593859.db2.gz WIVBZIMFQSMEAD-MRXNPFEDSA-N 1 2 420.510 2.454 20 0 HEADLO CN(Cc1ccc(Cl)nc1)C(=O)C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000786465620 1080645112 /nfs/dbraw/zinc/64/51/12/1080645112.db2.gz KJBQCHMYDFLJRP-UHFFFAOYSA-N 1 2 401.898 2.395 20 0 HEADLO c1cc2c(cn1)[nH+]c(N1CCC3(CC1)OCCO3)cc2N1CCC2(CC1)OCCO2 ZINC000786582868 1080672629 /nfs/dbraw/zinc/67/26/29/1080672629.db2.gz ZOTYSAYSTUDLKD-UHFFFAOYSA-N 1 2 412.490 2.316 20 0 HEADLO CO[C@H](CNC(=O)C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1)c1ccccc1 ZINC000786658285 1080743232 /nfs/dbraw/zinc/74/32/32/1080743232.db2.gz UHAMOYLNIBJYFP-JOCHJYFZSA-N 1 2 424.545 2.342 20 0 HEADLO Cc1cc(NC(=O)C(=O)N(C)CCCn2cc[nH+]c2)ccc1N1CCSCC1 ZINC000768740400 1080763789 /nfs/dbraw/zinc/76/37/89/1080763789.db2.gz WYBSXQLUBHFCSQ-UHFFFAOYSA-N 1 2 401.536 2.232 20 0 HEADLO CN(CCCn1cc[nH+]c1)C(=O)C(=O)Nc1cccc(CNC(=O)OC(C)(C)C)c1 ZINC000768740058 1080764494 /nfs/dbraw/zinc/76/44/94/1080764494.db2.gz OPRCOARLAFMHTH-UHFFFAOYSA-N 1 2 415.494 2.395 20 0 HEADLO O=C1N[C@@]2(CCCCc3ccccc32)C(=O)N1C[N@@H+]1CCOC2(CCOCC2)CC1 ZINC000768905438 1080841879 /nfs/dbraw/zinc/84/18/79/1080841879.db2.gz MPWWDTVSDRCTCP-HSZRJFAPSA-N 1 2 413.518 2.389 20 0 HEADLO O=C1N[C@@]2(CCCCc3ccccc32)C(=O)N1C[N@H+]1CCOC2(CCOCC2)CC1 ZINC000768905438 1080841882 /nfs/dbraw/zinc/84/18/82/1080841882.db2.gz MPWWDTVSDRCTCP-HSZRJFAPSA-N 1 2 413.518 2.389 20 0 HEADLO Cn1c(=O)c2ccc(C(=O)N(CC[NH+](C)C)Cc3cccc(O)c3)cc2[nH]c1=S ZINC000768907319 1080848272 /nfs/dbraw/zinc/84/82/72/1080848272.db2.gz AQKVEFIFUXLNMB-UHFFFAOYSA-N 1 2 412.515 2.132 20 0 HEADLO CN(CCN(C)C(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1)C(=O)OC(C)(C)C ZINC000768980886 1080873763 /nfs/dbraw/zinc/87/37/63/1080873763.db2.gz AHCGAEONFVLFJV-UHFFFAOYSA-N 1 2 401.467 2.136 20 0 HEADLO C[N@H+](CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)CC1=Cc2ccccc2OC1 ZINC000768990765 1080877360 /nfs/dbraw/zinc/87/73/60/1080877360.db2.gz IUJOFGRSQSUALW-UHFFFAOYSA-N 1 2 401.507 2.474 20 0 HEADLO C[N@@H+](CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)CC1=Cc2ccccc2OC1 ZINC000768990765 1080877365 /nfs/dbraw/zinc/87/73/65/1080877365.db2.gz IUJOFGRSQSUALW-UHFFFAOYSA-N 1 2 401.507 2.474 20 0 HEADLO CC(=O)Nc1ccc(C(=O)OCC(=O)N2CC[NH+](Cc3cccs3)CC2)cc1F ZINC000768994033 1080879905 /nfs/dbraw/zinc/87/99/05/1080879905.db2.gz QVPKFTUMFSIQLP-UHFFFAOYSA-N 1 2 419.478 2.347 20 0 HEADLO O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)OCc1cccc(OC(F)F)c1 ZINC000786997488 1080907784 /nfs/dbraw/zinc/90/77/84/1080907784.db2.gz NKBADKXCBOZKSE-QGZVFWFLSA-N 1 2 412.433 2.045 20 0 HEADLO Cc1ccc(C)c(OCCCOC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)c1 ZINC000787001742 1080914042 /nfs/dbraw/zinc/91/40/42/1080914042.db2.gz ZEORTLCWQSHRRG-FQEVSTJZSA-N 1 2 418.534 2.329 20 0 HEADLO C[C@H]1Oc2ccc(NC(=O)C[NH+]3CCC(NC(=O)OC(C)(C)C)CC3)cc2NC1=O ZINC000769079093 1080930742 /nfs/dbraw/zinc/93/07/42/1080930742.db2.gz WZINBQCLWRGUSA-CYBMUJFWSA-N 1 2 418.494 2.334 20 0 HEADLO CN(C)c1ccc([NH+]2CCC(NC(=O)C(=O)NCc3ccc(F)cc3F)CC2)cc1 ZINC000786976426 1080934125 /nfs/dbraw/zinc/93/41/25/1080934125.db2.gz WZNMYKHMLIMODO-UHFFFAOYSA-N 1 2 416.472 2.432 20 0 HEADLO CC(C)(C)OC(=O)NC1CC[NH+](CC(=O)Nc2ccc3c(c2)CCC(=O)N3)CC1 ZINC000769109376 1080937662 /nfs/dbraw/zinc/93/76/62/1080937662.db2.gz OQPFTTIMEYJUBF-UHFFFAOYSA-N 1 2 402.495 2.499 20 0 HEADLO CC(C)(C)OC(=O)N1CC[C@@H](c2cc(C(=O)N3CC[NH+](CC4CC4)CC3)[nH]n2)C1 ZINC000787087526 1080991742 /nfs/dbraw/zinc/99/17/42/1080991742.db2.gz QESIHFGSIBWLOS-MRXNPFEDSA-N 1 2 403.527 2.302 20 0 HEADLO C[N@@H+]1CCN(C(=O)c2c[nH]c(=O)c3ccccc23)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000787115573 1081006679 /nfs/dbraw/zinc/00/66/79/1081006679.db2.gz TXYHZRMNYCIGBU-AWEZNQCLSA-N 1 2 400.479 2.221 20 0 HEADLO C[N@H+]1CCN(C(=O)c2c[nH]c(=O)c3ccccc23)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000787115573 1081006688 /nfs/dbraw/zinc/00/66/88/1081006688.db2.gz TXYHZRMNYCIGBU-AWEZNQCLSA-N 1 2 400.479 2.221 20 0 HEADLO C[C@@H]1C[C@@H](C)CN(C(=O)CN2CC[NH+]([C@@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)C1 ZINC000769284167 1081031162 /nfs/dbraw/zinc/03/11/62/1081031162.db2.gz HKBAINWMCBQZMC-GUDVDZBRSA-N 1 2 408.587 2.118 20 0 HEADLO C[C@@]1(C2CC[NH+](CC(=O)Nc3ccccc3SC(F)F)CC2)NC(=O)NC1=O ZINC000746497571 1081062140 /nfs/dbraw/zinc/06/21/40/1081062140.db2.gz PPAFQMGYLCNMET-SFHVURJKSA-N 1 2 412.462 2.250 20 0 HEADLO Cc1ccc([C@@H]2C[C@@H](C)N(C(=O)NC3CC[NH+](CCS(C)(=O)=O)CC3)C2)cc1 ZINC000787210728 1081064293 /nfs/dbraw/zinc/06/42/93/1081064293.db2.gz JYJBAOKVCWLCHB-IEBWSBKVSA-N 1 2 407.580 2.391 20 0 HEADLO COc1c(C)c[nH+]c(CNC(=O)C(=O)NCc2ccc(OC3CCCC3)nc2)c1C ZINC000787256587 1081074087 /nfs/dbraw/zinc/07/40/87/1081074087.db2.gz HLOATKVXIIXQAQ-UHFFFAOYSA-N 1 2 412.490 2.356 20 0 HEADLO C[S@](=O)CC[NH+]1CCN(Cc2cn(-c3cccc(Cl)c3Cl)nn2)CC1 ZINC000769479584 1081077685 /nfs/dbraw/zinc/07/76/85/1081077685.db2.gz JAVMGSPDGMXKSD-VWLOTQADSA-N 1 2 402.351 2.070 20 0 HEADLO C[S@@](=O)CC[NH+]1CCN(Cc2cn(Cc3ccccc3)nc2-c2cccnc2)CC1 ZINC000769481099 1081078081 /nfs/dbraw/zinc/07/80/81/1081078081.db2.gz QZXVYXNSSSZOCZ-SSEXGKCCSA-N 1 2 423.586 2.490 20 0 HEADLO Cc1nn(Cc2ccc(C)cc2)c(Cl)c1CN(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000769468694 1081089682 /nfs/dbraw/zinc/08/96/82/1081089682.db2.gz OOZTVESRKLXDIR-IBGZPJMESA-N 1 2 406.958 2.327 20 0 HEADLO CCO[C@@H](C)c1noc(CN2CC[NH+]([C@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)n1 ZINC000769506914 1081100466 /nfs/dbraw/zinc/10/04/66/1081100466.db2.gz IGADFJDPGAKXQD-HOTGVXAUSA-N 1 2 409.531 2.294 20 0 HEADLO CCO[C@@H](C)c1noc(CN2CC[NH+]([C@@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)n1 ZINC000769506921 1081100483 /nfs/dbraw/zinc/10/04/83/1081100483.db2.gz IGADFJDPGAKXQD-JKSUJKDBSA-N 1 2 409.531 2.294 20 0 HEADLO O=S(=O)(c1ccc2nc(Cl)sc2c1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000746668386 1081103492 /nfs/dbraw/zinc/10/34/92/1081103492.db2.gz CAHWKTOQRYEDFC-LBPRGKRZSA-N 1 2 401.941 2.293 20 0 HEADLO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[N@@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000769518789 1081105591 /nfs/dbraw/zinc/10/55/91/1081105591.db2.gz DETTXEXQKLWHDE-CVEARBPZSA-N 1 2 401.960 2.453 20 0 HEADLO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[N@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000769518789 1081105598 /nfs/dbraw/zinc/10/55/98/1081105598.db2.gz DETTXEXQKLWHDE-CVEARBPZSA-N 1 2 401.960 2.453 20 0 HEADLO COc1cc(CN2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)ccc1OC(=O)C1CC1 ZINC000769544117 1081119175 /nfs/dbraw/zinc/11/91/75/1081119175.db2.gz VFDBGGROHWKEEH-QGZVFWFLSA-N 1 2 415.534 2.139 20 0 HEADLO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[N@H+]1CC[C@@H](Cc2cnn(C)c2)C1 ZINC000769550874 1081122953 /nfs/dbraw/zinc/12/29/53/1081122953.db2.gz TUZKYDSSPGORMM-HOCLYGCPSA-N 1 2 411.959 2.003 20 0 HEADLO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[N@@H+]1CC[C@@H](Cc2cnn(C)c2)C1 ZINC000769550874 1081122956 /nfs/dbraw/zinc/12/29/56/1081122956.db2.gz TUZKYDSSPGORMM-HOCLYGCPSA-N 1 2 411.959 2.003 20 0 HEADLO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[N@H+]1CC[C@@H](Cc2cnn(C)c2)C1 ZINC000769550873 1081122965 /nfs/dbraw/zinc/12/29/65/1081122965.db2.gz TUZKYDSSPGORMM-GOEBONIOSA-N 1 2 411.959 2.003 20 0 HEADLO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[N@@H+]1CC[C@@H](Cc2cnn(C)c2)C1 ZINC000769550873 1081122967 /nfs/dbraw/zinc/12/29/67/1081122967.db2.gz TUZKYDSSPGORMM-GOEBONIOSA-N 1 2 411.959 2.003 20 0 HEADLO CC(C)(C)OC(=O)N1Cc2ccc(C(=O)N3CC[NH+]([C@@H]4CCOC4)CC3)cc2C1 ZINC000769597419 1081143453 /nfs/dbraw/zinc/14/34/53/1081143453.db2.gz VTTPJGOTQCUEJB-LJQANCHMSA-N 1 2 401.507 2.484 20 0 HEADLO C[C@H](Cn1cc[nH+]c1)NS(=O)(=O)CC1CCN(C(=O)OCc2ccccc2)CC1 ZINC000769634837 1081153161 /nfs/dbraw/zinc/15/31/61/1081153161.db2.gz WRJSHDKNJPFYOD-QGZVFWFLSA-N 1 2 420.535 2.240 20 0 HEADLO COCCN1CC[N@H+](C)C2(CCN(c3cnc4ccc(Cl)cc4n3)CC2)C1=O ZINC001164634707 719273014 /nfs/dbraw/zinc/27/30/14/719273014.db2.gz MBGIJOWLKCWRKZ-UHFFFAOYSA-N 1 2 403.914 2.043 20 0 HEADLO COCCN1CC[N@@H+](C)C2(CCN(c3cnc4ccc(Cl)cc4n3)CC2)C1=O ZINC001164634707 719273021 /nfs/dbraw/zinc/27/30/21/719273021.db2.gz MBGIJOWLKCWRKZ-UHFFFAOYSA-N 1 2 403.914 2.043 20 0 HEADLO COCCN1CC[N@H+](C)C2(CCN(c3nc(C)c(Cl)cc3Cl)CC2)C1=O ZINC001164637980 719278926 /nfs/dbraw/zinc/27/89/26/719278926.db2.gz BVMMYMFNERUOBT-UHFFFAOYSA-N 1 2 401.338 2.456 20 0 HEADLO COCCN1CC[N@@H+](C)C2(CCN(c3nc(C)c(Cl)cc3Cl)CC2)C1=O ZINC001164637980 719278927 /nfs/dbraw/zinc/27/89/27/719278927.db2.gz BVMMYMFNERUOBT-UHFFFAOYSA-N 1 2 401.338 2.456 20 0 HEADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(SC)ncc1Cl ZINC001164703331 719844243 /nfs/dbraw/zinc/84/42/43/719844243.db2.gz QNXKJDJUDHKYSP-PXAZEXFGSA-N 1 2 400.932 2.085 20 0 HEADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(Cl)nc2c1CSC2 ZINC001164697201 719848000 /nfs/dbraw/zinc/84/80/00/719848000.db2.gz BPYBXNFMGAAPJF-KZULUSFZSA-N 1 2 412.943 2.110 20 0 HEADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc(C(=O)OC(C)(C)C)cn1 ZINC001164701078 719853940 /nfs/dbraw/zinc/85/39/40/719853940.db2.gz JGJZGHHBSFTTSB-HTAPYJJXSA-N 1 2 419.522 2.270 20 0 HEADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncnc2nc(SC)sc21 ZINC001164701315 719862143 /nfs/dbraw/zinc/86/21/43/719862143.db2.gz KDJUFULVFCBECF-KPZWWZAWSA-N 1 2 423.564 2.041 20 0 HEADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc(-c2ccsc2)nn1 ZINC001164707443 719875694 /nfs/dbraw/zinc/87/56/94/719875694.db2.gz SPKNOYNRUMJERR-JXFKEZNVSA-N 1 2 402.520 2.438 20 0 HEADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3cc(C)cc(Cl)n3)C2)C1 ZINC001164719361 720260453 /nfs/dbraw/zinc/26/04/53/720260453.db2.gz LIAPWCVPUVGELS-SFHVURJKSA-N 1 2 416.900 2.253 20 0 HEADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3cc(C)cc(Cl)n3)C2)C1 ZINC001164719361 720260461 /nfs/dbraw/zinc/26/04/61/720260461.db2.gz LIAPWCVPUVGELS-SFHVURJKSA-N 1 2 416.900 2.253 20 0 HEADLO FC(F)(c1cc(Cl)nc(=S)[nH]1)N1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001164827606 720399171 /nfs/dbraw/zinc/39/91/71/720399171.db2.gz GFNLZOVVFYURSY-UHFFFAOYSA-N 1 2 412.857 2.210 20 0 HEADLO Cc1ccc(Cl)nc1N1Cc2ncn(C)c2[C@@H](COCC[NH+]2CCOCC2)C1 ZINC001164825514 720428672 /nfs/dbraw/zinc/42/86/72/720428672.db2.gz NUMCIXMWSRYWFQ-MRXNPFEDSA-N 1 2 405.930 2.230 20 0 HEADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1ncc(Cl)cc1F)C2 ZINC001164824924 720432971 /nfs/dbraw/zinc/43/29/71/720432971.db2.gz MPUFZKSUTPQYJV-CQSZACIVSA-N 1 2 409.893 2.060 20 0 HEADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1cc3ccsc3cn1)C2 ZINC001164831289 720461356 /nfs/dbraw/zinc/46/13/56/720461356.db2.gz OGJMDHJBQJTQPZ-KRWDZBQOSA-N 1 2 413.547 2.482 20 0 HEADLO CCSc1ccnc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)c1 ZINC001164831913 720478983 /nfs/dbraw/zinc/47/89/83/720478983.db2.gz IEXKBXXUENAABS-KRWDZBQOSA-N 1 2 417.579 2.380 20 0 HEADLO c1coc(-c2cnc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)cn2)c1 ZINC001164912479 721778568 /nfs/dbraw/zinc/77/85/68/721778568.db2.gz MGKQJJHUMQBMEN-JOCHJYFZSA-N 1 2 407.474 2.239 20 0 HEADLO c1coc(-c2cnc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)cn2)c1 ZINC001164912479 721778572 /nfs/dbraw/zinc/77/85/72/721778572.db2.gz MGKQJJHUMQBMEN-JOCHJYFZSA-N 1 2 407.474 2.239 20 0 HEADLO CSc1cnc(Cl)c(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164917515 721792610 /nfs/dbraw/zinc/79/26/10/721792610.db2.gz XYSHWYQVENTEGW-LJQANCHMSA-N 1 2 421.954 2.355 20 0 HEADLO CSc1cnc(Cl)c(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164917515 721792614 /nfs/dbraw/zinc/79/26/14/721792614.db2.gz XYSHWYQVENTEGW-LJQANCHMSA-N 1 2 421.954 2.355 20 0 HEADLO C[C@@H]1CCc2nnc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)cc2C1 ZINC001164913975 721799454 /nfs/dbraw/zinc/79/94/54/721799454.db2.gz JIGSZKJHOBADPC-WZONZLPQSA-N 1 2 409.534 2.104 20 0 HEADLO C[C@@H]1CCc2nnc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)cc2C1 ZINC001164913975 721799457 /nfs/dbraw/zinc/79/94/57/721799457.db2.gz JIGSZKJHOBADPC-WZONZLPQSA-N 1 2 409.534 2.104 20 0 HEADLO COC(=O)[C@H](C)c1c(Cl)ncnc1N1CCC2(CC1)c1[nH+]cc(C)n1CCN2C ZINC001164919280 721821768 /nfs/dbraw/zinc/82/17/68/721821768.db2.gz OQHXUMGTOFGMGA-CQSZACIVSA-N 1 2 418.929 2.353 20 0 HEADLO CCc1cc(N2CCO[C@]3(C2)COCCN(Cc2csc(C)n2)C3)nc(C)[nH+]1 ZINC001164924414 721830012 /nfs/dbraw/zinc/83/00/12/721830012.db2.gz VYLLPRQEKNDMJZ-HXUWFJFHSA-N 1 2 403.552 2.220 20 0 HEADLO CCOC(=O)c1cccnc1N1CCC2(CC1)C(=O)NCC[N@H+]2Cc1ccccc1 ZINC001164945760 721969161 /nfs/dbraw/zinc/96/91/61/721969161.db2.gz RTJHQHPIQBISBB-UHFFFAOYSA-N 1 2 408.502 2.229 20 0 HEADLO CCOC(=O)c1cccnc1N1CCC2(CC1)C(=O)NCC[N@@H+]2Cc1ccccc1 ZINC001164945760 721969164 /nfs/dbraw/zinc/96/91/64/721969164.db2.gz RTJHQHPIQBISBB-UHFFFAOYSA-N 1 2 408.502 2.229 20 0 HEADLO COC(=O)c1ccc(S(=O)(=O)Nc2ccc(N3CC[NH+](C)CC3)c(Cl)c2)cn1 ZINC000769671572 1078513188 /nfs/dbraw/zinc/51/31/88/1078513188.db2.gz JXUGODRVCGEIBI-UHFFFAOYSA-N 1 2 424.910 2.074 20 0 HEADLO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCC[N@H+](Cc2nnnn2CC2CCOCC2)C1 ZINC000769752576 1078540757 /nfs/dbraw/zinc/54/07/57/1078540757.db2.gz AVLYOHIWTKWTRD-RDJZCZTQSA-N 1 2 408.547 2.225 20 0 HEADLO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCC[N@@H+](Cc2nnnn2CC2CCOCC2)C1 ZINC000769752576 1078540774 /nfs/dbraw/zinc/54/07/74/1078540774.db2.gz AVLYOHIWTKWTRD-RDJZCZTQSA-N 1 2 408.547 2.225 20 0 HEADLO Cc1ccc(N2C(=O)C(=O)N(C[N@@H+]3CCSC4(CCOCC4)C3)C2=O)c(C)c1 ZINC000769774950 1078550877 /nfs/dbraw/zinc/55/08/77/1078550877.db2.gz MWJKHZJFKNQHRU-UHFFFAOYSA-N 1 2 403.504 2.154 20 0 HEADLO Cc1ccc(N2C(=O)C(=O)N(C[N@H+]3CCSC4(CCOCC4)C3)C2=O)c(C)c1 ZINC000769774950 1078550883 /nfs/dbraw/zinc/55/08/83/1078550883.db2.gz MWJKHZJFKNQHRU-UHFFFAOYSA-N 1 2 403.504 2.154 20 0 HEADLO O=C(COC(=O)Cc1cc(F)ccc1F)NCc1ccccc1C[NH+]1CCOCC1 ZINC000745547386 1078544685 /nfs/dbraw/zinc/54/46/85/1078544685.db2.gz NLINVCQCVQNLOD-UHFFFAOYSA-N 1 2 418.440 2.199 20 0 HEADLO Cn1cc(C[C@H]2CC(=O)N(C[NH+]3CCC(c4cccc(F)c4F)CC3)C2=O)cn1 ZINC000769781125 1078563142 /nfs/dbraw/zinc/56/31/42/1078563142.db2.gz DILQFKQRDPCVLU-INIZCTEOSA-N 1 2 402.445 2.453 20 0 HEADLO C[C@@H]1CC[C@H](CCC(=O)OCC(=O)NCc2ccccc2C[NH+]2CCOCC2)O1 ZINC000745710789 1078603811 /nfs/dbraw/zinc/60/38/11/1078603811.db2.gz FHPROKUBXCSITC-YLJYHZDGSA-N 1 2 404.507 2.026 20 0 HEADLO CC(C)(C)OC(=O)N1CCCC[C@@H]1CNC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000745783482 1078640921 /nfs/dbraw/zinc/64/09/21/1078640921.db2.gz SZJURSFPCFFFMR-MSOLQXFVSA-N 1 2 410.559 2.282 20 0 HEADLO COc1c(C)c[nH+]c(CNC(=O)N(C)CCNS(=O)(=O)c2ccc(C)cc2)c1C ZINC000745787542 1078644115 /nfs/dbraw/zinc/64/41/15/1078644115.db2.gz ZDYHOADMTDYZPH-UHFFFAOYSA-N 1 2 420.535 2.135 20 0 HEADLO O=C(C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1F)C2)NCC1CC1 ZINC001109545995 1078645279 /nfs/dbraw/zinc/64/52/79/1078645279.db2.gz TYXLOVNDCKDLBT-XUMBOQAASA-N 1 2 403.473 2.316 20 0 HEADLO O=C(C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1F)C2)NCC1CC1 ZINC001109545995 1078645284 /nfs/dbraw/zinc/64/52/84/1078645284.db2.gz TYXLOVNDCKDLBT-XUMBOQAASA-N 1 2 403.473 2.316 20 0 HEADLO CC(C)(C)OC(=O)NC[C@H]1CCCC[C@@H]1NC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000745794050 1078650575 /nfs/dbraw/zinc/65/05/75/1078650575.db2.gz VAFNPIDYAWGBGR-SJORKVTESA-N 1 2 412.575 2.480 20 0 HEADLO CC(C)(C)OC(=O)NC[C@H]1CCCC[C@@H]1NC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000745794050 1078650577 /nfs/dbraw/zinc/65/05/77/1078650577.db2.gz VAFNPIDYAWGBGR-SJORKVTESA-N 1 2 412.575 2.480 20 0 HEADLO Cc1cc([C@](C)(O)CNC(=O)N[C@H](Cc2ccccc2)C[NH+]2CCOCC2)c(C)o1 ZINC000745816352 1078658777 /nfs/dbraw/zinc/65/87/77/1078658777.db2.gz XQESSXYBPDLMFR-NFBKMPQASA-N 1 2 415.534 2.347 20 0 HEADLO CN(C)c1ccc([NH+]2CCC(NC(=O)N3CCC(c4nncn4C)CC3)CC2)cc1 ZINC000745868016 1078668009 /nfs/dbraw/zinc/66/80/09/1078668009.db2.gz IBUCCKMSEPYXDX-UHFFFAOYSA-N 1 2 411.554 2.439 20 0 HEADLO CCN(C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1)[C@@H](C)CS(C)(=O)=O ZINC000745869387 1078668609 /nfs/dbraw/zinc/66/86/09/1078668609.db2.gz DZTRIMHFDLVVCW-INIZCTEOSA-N 1 2 410.584 2.186 20 0 HEADLO O=C(COC(=O)c1cnc(NC2CC2)s1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000770084928 1078712542 /nfs/dbraw/zinc/71/25/42/1078712542.db2.gz PMPZYKWLNVEBRI-UHFFFAOYSA-N 1 2 416.503 2.345 20 0 HEADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)Nc2cccc(S(=O)(=O)NC3CC3)c2)C1 ZINC000770132904 1078742353 /nfs/dbraw/zinc/74/23/53/1078742353.db2.gz WRNQWRNYOLNBFX-CQSZACIVSA-N 1 2 403.508 2.272 20 0 HEADLO O=C([C@H](O)C1CCOCC1)N1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000746121979 1078797390 /nfs/dbraw/zinc/79/73/90/1078797390.db2.gz ODEGZABTDWEDHT-QGZVFWFLSA-N 1 2 402.413 2.017 20 0 HEADLO C[C@@H](NC(=O)N1CCC[C@H](c2[nH+]ccn2C)C1)c1cccc(NS(C)(=O)=O)c1 ZINC000770278390 1078804865 /nfs/dbraw/zinc/80/48/65/1078804865.db2.gz DQKZFGOWLJSCDT-ZBFHGGJFSA-N 1 2 405.524 2.442 20 0 HEADLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)CC[S@@](=O)c1ccc2c(c1)OCCO2 ZINC000746158219 1078809389 /nfs/dbraw/zinc/80/93/89/1078809389.db2.gz CHWRTIYXIQIEQR-KWMCUTETSA-N 1 2 405.520 2.383 20 0 HEADLO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[N@@H+]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000770376744 1078833889 /nfs/dbraw/zinc/83/38/89/1078833889.db2.gz XHOXPCZFDUWEOQ-OWCLPIDISA-N 1 2 401.960 2.453 20 0 HEADLO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[N@H+]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000770376744 1078833895 /nfs/dbraw/zinc/83/38/95/1078833895.db2.gz XHOXPCZFDUWEOQ-OWCLPIDISA-N 1 2 401.960 2.453 20 0 HEADLO CCc1nn(C)c(Cl)c1C[NH+]1CCN(c2ccc(NS(C)(=O)=O)cc2)CC1 ZINC000770380085 1078834272 /nfs/dbraw/zinc/83/42/72/1078834272.db2.gz NAXUYIWDWBYLLD-UHFFFAOYSA-N 1 2 411.959 2.330 20 0 HEADLO C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@@H+]1Cc1cnc(N2CCN(C)CC2)nc1 ZINC000770383752 1078835040 /nfs/dbraw/zinc/83/50/40/1078835040.db2.gz WPZWJHSQQQRSEU-FUHWJXTLSA-N 1 2 404.559 2.106 20 0 HEADLO C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@H+]1Cc1cnc(N2CCN(C)CC2)nc1 ZINC000770383752 1078835042 /nfs/dbraw/zinc/83/50/42/1078835042.db2.gz WPZWJHSQQQRSEU-FUHWJXTLSA-N 1 2 404.559 2.106 20 0 HEADLO COC(=O)CCn1nc(C)c(C[N@@H+]2CCOC[C@@H]2C[C@@H](O)c2ccccc2)c1C ZINC000770356879 1078839901 /nfs/dbraw/zinc/83/99/01/1078839901.db2.gz VLANTPYHSGOKJZ-PZJWPPBQSA-N 1 2 401.507 2.388 20 0 HEADLO COC(=O)CCn1nc(C)c(C[N@H+]2CCOC[C@@H]2C[C@@H](O)c2ccccc2)c1C ZINC000770356879 1078839903 /nfs/dbraw/zinc/83/99/03/1078839903.db2.gz VLANTPYHSGOKJZ-PZJWPPBQSA-N 1 2 401.507 2.388 20 0 HEADLO COc1cc2c(cc1OC)C[N@H+](CC(=O)NC(C)(C)CNC(=O)OC(C)(C)C)CC2 ZINC000770419329 1078846229 /nfs/dbraw/zinc/84/62/29/1078846229.db2.gz ZUWPITBFHOSIOU-UHFFFAOYSA-N 1 2 421.538 2.481 20 0 HEADLO COc1cc2c(cc1OC)C[N@@H+](CC(=O)NC(C)(C)CNC(=O)OC(C)(C)C)CC2 ZINC000770419329 1078846233 /nfs/dbraw/zinc/84/62/33/1078846233.db2.gz ZUWPITBFHOSIOU-UHFFFAOYSA-N 1 2 421.538 2.481 20 0 HEADLO CCOc1ccc(-n2ncc(C(=O)N3CCC([N@H+](C)CC(F)F)CC3)c2C)nn1 ZINC000746319688 1078858066 /nfs/dbraw/zinc/85/80/66/1078858066.db2.gz IVNSXSRODROLAC-UHFFFAOYSA-N 1 2 408.453 2.171 20 0 HEADLO CCOc1ccc(-n2ncc(C(=O)N3CCC([N@@H+](C)CC(F)F)CC3)c2C)nn1 ZINC000746319688 1078858067 /nfs/dbraw/zinc/85/80/67/1078858067.db2.gz IVNSXSRODROLAC-UHFFFAOYSA-N 1 2 408.453 2.171 20 0 HEADLO CN(C)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)C[N@H+](C)Cc1ccsc1 ZINC000053782375 1078878985 /nfs/dbraw/zinc/87/89/85/1078878985.db2.gz KEFNBKUBPMKDCT-UHFFFAOYSA-N 1 2 407.561 2.410 20 0 HEADLO CN(C)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)C[N@@H+](C)Cc1ccsc1 ZINC000053782375 1078878988 /nfs/dbraw/zinc/87/89/88/1078878988.db2.gz KEFNBKUBPMKDCT-UHFFFAOYSA-N 1 2 407.561 2.410 20 0 HEADLO COc1ccc(OC)c([C@H]2CCC[N@@H+]2CN2C(=O)C[C@H](Cc3cnn(C)c3)C2=O)c1 ZINC000746374371 1078881807 /nfs/dbraw/zinc/88/18/07/1078881807.db2.gz NXLLJNADTYETLL-QFBILLFUSA-N 1 2 412.490 2.150 20 0 HEADLO COc1ccc(OC)c([C@H]2CCC[N@H+]2CN2C(=O)C[C@H](Cc3cnn(C)c3)C2=O)c1 ZINC000746374371 1078881808 /nfs/dbraw/zinc/88/18/08/1078881808.db2.gz NXLLJNADTYETLL-QFBILLFUSA-N 1 2 412.490 2.150 20 0 HEADLO CNC(=O)CC1CC[NH+](CN2C(=O)N[C@](C)(c3ccc4ccccc4c3)C2=O)CC1 ZINC000746384761 1078888432 /nfs/dbraw/zinc/88/84/32/1078888432.db2.gz RGWNNKIOHYETRN-HSZRJFAPSA-N 1 2 408.502 2.412 20 0 HEADLO COc1ccc([C@H](CNC(=O)c2cccc3[nH+]ccn32)N2CCOCC2)cc1OC ZINC000770644090 1078911012 /nfs/dbraw/zinc/91/10/12/1078911012.db2.gz MCNHHJFCGOUBEP-SFHVURJKSA-N 1 2 410.474 2.155 20 0 HEADLO Cc1nnnn1/C(=C\c1ccccc1)C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000770663915 1078924292 /nfs/dbraw/zinc/92/42/92/1078924292.db2.gz FXAJEWJUBNYSDI-RGEXLXHISA-N 1 2 405.462 2.158 20 0 HEADLO C[C@H]1CC[N@H+](Cn2nc(CCC(N)=O)n(C[C@H]3CCCO3)c2=S)CC12CCC2 ZINC000770671422 1078926950 /nfs/dbraw/zinc/92/69/50/1078926950.db2.gz YTDCPDDDIGDWME-JKSUJKDBSA-N 1 2 407.584 2.481 20 0 HEADLO C[C@H]1CC[N@@H+](Cn2nc(CCC(N)=O)n(C[C@H]3CCCO3)c2=S)CC12CCC2 ZINC000770671422 1078926957 /nfs/dbraw/zinc/92/69/57/1078926957.db2.gz YTDCPDDDIGDWME-JKSUJKDBSA-N 1 2 407.584 2.481 20 0 HEADLO O=C(NCC[N@@H+]1CCc2sccc2C1)C(=O)Nc1ccc(Br)nc1 ZINC000766374048 1078939616 /nfs/dbraw/zinc/93/96/16/1078939616.db2.gz KXZDAHIABRAJSL-UHFFFAOYSA-N 1 2 409.309 2.019 20 0 HEADLO O=C(NCC[N@H+]1CCc2sccc2C1)C(=O)Nc1ccc(Br)nc1 ZINC000766374048 1078939628 /nfs/dbraw/zinc/93/96/28/1078939628.db2.gz KXZDAHIABRAJSL-UHFFFAOYSA-N 1 2 409.309 2.019 20 0 HEADLO COc1cccc(NC(=O)C(=O)N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)c1F ZINC000770721206 1078948837 /nfs/dbraw/zinc/94/88/37/1078948837.db2.gz RJNZHHGGWLYYPK-UHFFFAOYSA-N 1 2 415.469 2.343 20 0 HEADLO COc1cccc(OCC[NH+]2CCN(C(=O)[C@@]3(C)Cc4ccccc4C(=O)O3)CC2)c1 ZINC000766408811 1078957159 /nfs/dbraw/zinc/95/71/59/1078957159.db2.gz OOBJPRDBZUSWHB-XMMPIXPASA-N 1 2 424.497 2.390 20 0 HEADLO C[C@H]1CCN(S(=O)(=O)c2cc(S(C)(=O)=O)sc2Cl)C[C@H]1n1cc[nH+]c1 ZINC000770693864 1078962917 /nfs/dbraw/zinc/96/29/17/1078962917.db2.gz ZBCKNRIQOOEKGC-WDEREUQCSA-N 1 2 423.969 2.273 20 0 HEADLO COCCNS(=O)(=O)c1cccc(CNc2[nH+]cnc3c2cnn3C(C)(C)C)c1 ZINC000766410440 1078964467 /nfs/dbraw/zinc/96/44/67/1078964467.db2.gz XJVXWXDBTXYFNC-UHFFFAOYSA-N 1 2 418.523 2.118 20 0 HEADLO CC[N@H+](CC(=O)NN1C(=O)NC2(CCC(C)CC2)C1=O)[C@@H](C)c1cccc(O)c1 ZINC000746454304 1078984316 /nfs/dbraw/zinc/98/43/16/1078984316.db2.gz UIZIYPPQLOXSPE-DBWCEAHUSA-N 1 2 402.495 2.307 20 0 HEADLO CC[N@@H+](CC(=O)NN1C(=O)NC2(CCC(C)CC2)C1=O)[C@@H](C)c1cccc(O)c1 ZINC000746454304 1078984327 /nfs/dbraw/zinc/98/43/27/1078984327.db2.gz UIZIYPPQLOXSPE-DBWCEAHUSA-N 1 2 402.495 2.307 20 0 HEADLO Cc1nc(N(C)C)nc(NCCOc2ccc(S(=O)(=O)C(F)(F)F)cc2)[nH+]1 ZINC000766445120 1079008023 /nfs/dbraw/zinc/00/80/23/1079008023.db2.gz QGWNUYOTEKWJCT-UHFFFAOYSA-N 1 2 405.402 2.030 20 0 HEADLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)C(=O)NC1CCC(O)(c2cccnc2)CC1 ZINC000770784885 1079014751 /nfs/dbraw/zinc/01/47/51/1079014751.db2.gz UYFMOFVJODBSBC-UHFFFAOYSA-N 1 2 405.458 2.152 20 0 HEADLO COc1ccc(OCc2nc(CN3CC[NH+](CC[S@@](C)=O)CC3)cs2)cc1 ZINC000746466130 1079025186 /nfs/dbraw/zinc/02/51/86/1079025186.db2.gz BUDCOTCFBGGGNV-HHHXNRCGSA-N 1 2 409.577 2.227 20 0 HEADLO CC(C)OCCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[C@H]1c1ccco1)C2 ZINC001109741128 1079041954 /nfs/dbraw/zinc/04/19/54/1079041954.db2.gz FOQJUEPSZXAIGU-QQXKLLMISA-N 1 2 403.523 2.036 20 0 HEADLO CC(C)OCCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[C@H]1c1ccco1)C2 ZINC001109741128 1079041957 /nfs/dbraw/zinc/04/19/57/1079041957.db2.gz FOQJUEPSZXAIGU-QQXKLLMISA-N 1 2 403.523 2.036 20 0 HEADLO CCOC(=O)c1nc2c(o1)CC[N@@H+]([C@@H]1CCN(Cc3ccc(OC)cc3)C(=O)C1)C2 ZINC001168945002 1079082746 /nfs/dbraw/zinc/08/27/46/1079082746.db2.gz CUCORWCJXNAHFG-MRXNPFEDSA-N 1 2 413.474 2.409 20 0 HEADLO CCOC(=O)c1nc2c(o1)CC[N@H+]([C@@H]1CCN(Cc3ccc(OC)cc3)C(=O)C1)C2 ZINC001168945002 1079082754 /nfs/dbraw/zinc/08/27/54/1079082754.db2.gz CUCORWCJXNAHFG-MRXNPFEDSA-N 1 2 413.474 2.409 20 0 HEADLO CC(C)c1nn([C@H]2CCS(=O)(=O)C2)cc1C(=O)OCc1cccc2[nH+]ccn21 ZINC000770925135 1079083175 /nfs/dbraw/zinc/08/31/75/1079083175.db2.gz KLXYXFGABXRIKI-HNNXBMFYSA-N 1 2 402.476 2.371 20 0 HEADLO CC(C)CN1N=C(C(=O)N[C@@H](c2ccc(Cl)cc2)[C@H]2C[N@H+](C)CCO2)CCC1=O ZINC000766568640 1079104805 /nfs/dbraw/zinc/10/48/05/1079104805.db2.gz DJKSQISCJJLNBJ-QUCCMNQESA-N 1 2 420.941 2.462 20 0 HEADLO CC(C)CN1N=C(C(=O)N[C@@H](c2ccc(Cl)cc2)[C@H]2C[N@@H+](C)CCO2)CCC1=O ZINC000766568640 1079104809 /nfs/dbraw/zinc/10/48/09/1079104809.db2.gz DJKSQISCJJLNBJ-QUCCMNQESA-N 1 2 420.941 2.462 20 0 HEADLO C[S@@](=O)CC[NH+]1CCN(c2ccc(C(=O)Nc3cccc(Cl)c3)cn2)CC1 ZINC000771146230 1079160766 /nfs/dbraw/zinc/16/07/66/1079160766.db2.gz MHSDYTNFTKWNDS-HHHXNRCGSA-N 1 2 406.939 2.488 20 0 HEADLO CCCN(CCNC(=O)C(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1)C(=O)OC(C)(C)C ZINC000804309889 1079165067 /nfs/dbraw/zinc/16/50/67/1079165067.db2.gz PDXKGJJHWUBPJP-SJORKVTESA-N 1 2 421.542 2.056 20 0 HEADLO COC(=O)C[C@@]1(NC(=O)Nc2cccc([C@@H](C)[NH+]3CCOCC3)c2)CCCOC1 ZINC000771142619 1079191039 /nfs/dbraw/zinc/19/10/39/1079191039.db2.gz CIVWYDWYVUQICS-IERDGZPVSA-N 1 2 405.495 2.314 20 0 HEADLO CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000771175186 1079210003 /nfs/dbraw/zinc/21/00/03/1079210003.db2.gz MWALMDFIXQXACM-RBUKOAKNSA-N 1 2 405.539 2.349 20 0 HEADLO C[NH+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1nccc(Br)c1O ZINC001169383686 1079254061 /nfs/dbraw/zinc/25/40/61/1079254061.db2.gz ZYGUNNVWOFPZJW-LLVKDONJSA-N 1 2 417.304 2.333 20 0 HEADLO O=C(NCCN(Cc1ccccc1)c1cccc[nH+]1)N1CCc2n[nH]c(=O)cc2C1 ZINC001687511075 1079268199 /nfs/dbraw/zinc/26/81/99/1079268199.db2.gz MEVFRPDCYDVXSV-UHFFFAOYSA-N 1 2 404.474 2.352 20 0 HEADLO CCOC(=O)[C@@H]1CC[C@@H]([NH+]2CCN(c3ccc(C(=O)OC)cc3Cl)CC2)CO1 ZINC001169421320 1079279803 /nfs/dbraw/zinc/27/98/03/1079279803.db2.gz XUQXNRABWCHJKS-QAPCUYQASA-N 1 2 410.898 2.359 20 0 HEADLO C[N@@H+]1CCN(C(=O)CCc2cccc3c2OCO3)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000771399968 1079322786 /nfs/dbraw/zinc/32/27/86/1079322786.db2.gz VJNYNCAVDCHDJO-MRXNPFEDSA-N 1 2 405.495 2.015 20 0 HEADLO C[N@H+]1CCN(C(=O)CCc2cccc3c2OCO3)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000771399968 1079322793 /nfs/dbraw/zinc/32/27/93/1079322793.db2.gz VJNYNCAVDCHDJO-MRXNPFEDSA-N 1 2 405.495 2.015 20 0 HEADLO C[C@H](C[NH+]1CCOCC1)OC(=O)[C@H]1CCN(c2ccccc2Br)C1=O ZINC000771480448 1079354292 /nfs/dbraw/zinc/35/42/92/1079354292.db2.gz BZLUWNYFLWRGKG-KGLIPLIRSA-N 1 2 411.296 2.066 20 0 HEADLO O=C(N[C@H]1CCc2c[nH+]cn2C1)c1ccc(NC2=NS(=O)(=O)c3ccccc32)cc1 ZINC000804334664 1079371500 /nfs/dbraw/zinc/37/15/00/1079371500.db2.gz ITDFKTIGFYGRQU-INIZCTEOSA-N 1 2 421.482 2.189 20 0 HEADLO CC(C)(C)OC(=O)N[C@]1(C(=O)N[C@@H]2CCc3c[nH+]cn3C2)[C@@H]2CCCO[C@H]2C1(C)C ZINC000804334843 1079373370 /nfs/dbraw/zinc/37/33/70/1079373370.db2.gz KUOIDSCXVZWNLL-MRXJONPPSA-N 1 2 418.538 2.413 20 0 HEADLO O=C(Nc1cn2cc(Br)ncc2n1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000771587749 1079386593 /nfs/dbraw/zinc/38/65/93/1079386593.db2.gz AUHPHJVHDLJDFM-CQSZACIVSA-N 1 2 416.279 2.331 20 0 HEADLO O=C(Nc1cn2cc(Br)ncc2n1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000771587749 1079386600 /nfs/dbraw/zinc/38/66/00/1079386600.db2.gz AUHPHJVHDLJDFM-CQSZACIVSA-N 1 2 416.279 2.331 20 0 HEADLO COc1ccc([C@@H]2CCCN2C(=O)C[N@@H+]2CCC[C@H](c3n[nH]c(=O)o3)C2)cc1OC ZINC001169862096 1079461176 /nfs/dbraw/zinc/46/11/76/1079461176.db2.gz DNEZPVBAHLYUSE-HOTGVXAUSA-N 1 2 416.478 2.336 20 0 HEADLO COc1ccc([C@@H]2CCCN2C(=O)C[N@H+]2CCC[C@H](c3n[nH]c(=O)o3)C2)cc1OC ZINC001169862096 1079461180 /nfs/dbraw/zinc/46/11/80/1079461180.db2.gz DNEZPVBAHLYUSE-HOTGVXAUSA-N 1 2 416.478 2.336 20 0 HEADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C=Cc1cc2cnn(C(C)C)c2[nH]c1=O ZINC000771751919 1079482437 /nfs/dbraw/zinc/48/24/37/1079482437.db2.gz GZDXHFLZTLVUCH-DAXSKMNVSA-N 1 2 422.489 2.497 20 0 HEADLO C[C@H]1CN(C(=O)C2CC[NH+](Cc3nccn3C)CC2)[C@@H](C)CN1C(=O)OC(C)(C)C ZINC000771739515 1079473733 /nfs/dbraw/zinc/47/37/33/1079473733.db2.gz DVKFIPXABGHEEP-IRXDYDNUSA-N 1 2 419.570 2.488 20 0 HEADLO C[C@H]1COCC[N@@H+]1CCNC(=O)[C@@H](NC(=O)OCc1ccccc1)c1ccccc1 ZINC000737836384 1075935319 /nfs/dbraw/zinc/93/53/19/1075935319.db2.gz FHVNULVFVUHDKB-RXVVDRJESA-N 1 2 411.502 2.491 20 0 HEADLO C[C@H]1COCC[N@H+]1CCNC(=O)[C@@H](NC(=O)OCc1ccccc1)c1ccccc1 ZINC000737836384 1075935326 /nfs/dbraw/zinc/93/53/26/1075935326.db2.gz FHVNULVFVUHDKB-RXVVDRJESA-N 1 2 411.502 2.491 20 0 HEADLO COCCCn1c(=O)c2ccc(C(=O)N3CC[N@H+](C)C[C@@H]3C(C)C)cc2[nH]c1=S ZINC000737996449 1075949425 /nfs/dbraw/zinc/94/94/25/1075949425.db2.gz ZODXQLZXQQXCQO-GOSISDBHSA-N 1 2 418.563 2.134 20 0 HEADLO COCCCn1c(=O)c2ccc(C(=O)N3CC[N@@H+](C)C[C@@H]3C(C)C)cc2[nH]c1=S ZINC000737996449 1075949430 /nfs/dbraw/zinc/94/94/30/1075949430.db2.gz ZODXQLZXQQXCQO-GOSISDBHSA-N 1 2 418.563 2.134 20 0 HEADLO CC[C@@]1(C(C)C)NC(=O)N(C[N@@H+]2CCC[C@H](C(=O)Nc3cccc(C)n3)C2)C1=O ZINC000738026933 1075953757 /nfs/dbraw/zinc/95/37/57/1075953757.db2.gz AXKDJYUDGUXRHD-KKSFZXQISA-N 1 2 401.511 2.355 20 0 HEADLO CC[C@@]1(C(C)C)NC(=O)N(C[N@H+]2CCC[C@H](C(=O)Nc3cccc(C)n3)C2)C1=O ZINC000738026933 1075953765 /nfs/dbraw/zinc/95/37/65/1075953765.db2.gz AXKDJYUDGUXRHD-KKSFZXQISA-N 1 2 401.511 2.355 20 0 HEADLO CC(C)[C@@]1(C)NC(=O)N(CN(Cc2ccccc2)[C@@H](C)C[NH+]2CCOCC2)C1=O ZINC000738042115 1075956255 /nfs/dbraw/zinc/95/62/55/1075956255.db2.gz SQWRLXNSYHHZMF-PGRDOPGGSA-N 1 2 402.539 2.133 20 0 HEADLO CN(C[C@@H]1CCC[N@H+](CN2C(=O)C[C@]3(CCSC3)C2=O)C1)C(=O)OC(C)(C)C ZINC000738086834 1075959557 /nfs/dbraw/zinc/95/95/57/1075959557.db2.gz OTNRYNVMGCAPAV-YWZLYKJASA-N 1 2 411.568 2.405 20 0 HEADLO CN(C[C@@H]1CCC[N@@H+](CN2C(=O)C[C@]3(CCSC3)C2=O)C1)C(=O)OC(C)(C)C ZINC000738086834 1075959564 /nfs/dbraw/zinc/95/95/64/1075959564.db2.gz OTNRYNVMGCAPAV-YWZLYKJASA-N 1 2 411.568 2.405 20 0 HEADLO CN(C[C@H]1CCC[N@H+](CN2C(=O)c3cccc(N)c3C2=O)C1)C(=O)OC(C)(C)C ZINC000738086968 1075959632 /nfs/dbraw/zinc/95/96/32/1075959632.db2.gz PYNNQXJPKPXLNO-CQSZACIVSA-N 1 2 402.495 2.401 20 0 HEADLO CN(C[C@H]1CCC[N@@H+](CN2C(=O)c3cccc(N)c3C2=O)C1)C(=O)OC(C)(C)C ZINC000738086968 1075959635 /nfs/dbraw/zinc/95/96/35/1075959635.db2.gz PYNNQXJPKPXLNO-CQSZACIVSA-N 1 2 402.495 2.401 20 0 HEADLO COC(=O)[C@H]1CCC[N@H+](CN2C(=O)N[C@](C)(c3ccc(Br)cc3)C2=O)C1 ZINC000738061517 1075962352 /nfs/dbraw/zinc/96/23/52/1075962352.db2.gz MEDCCKSDKYGKJB-KPZWWZAWSA-N 1 2 424.295 2.059 20 0 HEADLO COC(=O)[C@H]1CCC[N@@H+](CN2C(=O)N[C@](C)(c3ccc(Br)cc3)C2=O)C1 ZINC000738061517 1075962357 /nfs/dbraw/zinc/96/23/57/1075962357.db2.gz MEDCCKSDKYGKJB-KPZWWZAWSA-N 1 2 424.295 2.059 20 0 HEADLO COCC[N@H+](CCO)CC(=O)Nc1ccccc1C(=O)Nc1ccc(Cl)cc1 ZINC000738324268 1075990017 /nfs/dbraw/zinc/99/00/17/1075990017.db2.gz PNLWXAAXCTWIGE-UHFFFAOYSA-N 1 2 405.882 2.472 20 0 HEADLO COCC[N@@H+](CCO)CC(=O)Nc1ccccc1C(=O)Nc1ccc(Cl)cc1 ZINC000738324268 1075990019 /nfs/dbraw/zinc/99/00/19/1075990019.db2.gz PNLWXAAXCTWIGE-UHFFFAOYSA-N 1 2 405.882 2.472 20 0 HEADLO COC(=O)CCOc1ccc(S(=O)(=O)NCc2[nH+]cc(C)c(OC)c2C)cc1 ZINC000065268074 1075992343 /nfs/dbraw/zinc/99/23/43/1075992343.db2.gz JTYUFSGXKHRYGC-UHFFFAOYSA-N 1 2 408.476 2.127 20 0 HEADLO CN1C[C@@H](NC(=O)N2CC[NH+](Cc3ccc(OC(F)(F)F)cc3)CC2)CCC1=O ZINC000738502158 1076005732 /nfs/dbraw/zinc/00/57/32/1076005732.db2.gz CKEIKPMAAWEYQN-HNNXBMFYSA-N 1 2 414.428 2.033 20 0 HEADLO CN1C[C@H](NC(=O)N2CC[NH+](Cc3ccc(OC(F)(F)F)cc3)CC2)CCC1=O ZINC000738502161 1076005813 /nfs/dbraw/zinc/00/58/13/1076005813.db2.gz CKEIKPMAAWEYQN-OAHLLOKOSA-N 1 2 414.428 2.033 20 0 HEADLO COC(=O)C1=NOC2(C1)CC[NH+](CC(=O)Nc1nc3ccc(C)cc3s1)CC2 ZINC000771778441 1079499288 /nfs/dbraw/zinc/49/92/88/1079499288.db2.gz PYCCFGONOSMVTH-UHFFFAOYSA-N 1 2 402.476 2.327 20 0 HEADLO CCOC(=O)Cc1cccc(NC(=O)C(=O)N[C@@H](Cn2cc[nH+]c2)C(C)(C)C)c1 ZINC000739069588 1076037119 /nfs/dbraw/zinc/03/71/19/1076037119.db2.gz UVOXDYBRTPPTFC-KRWDZBQOSA-N 1 2 400.479 2.158 20 0 HEADLO Cc1csc(-c2cccc(C(=O)NC3CC[NH+](CCS(C)(=O)=O)CC3)c2)n1 ZINC000739721292 1076078594 /nfs/dbraw/zinc/07/85/94/1076078594.db2.gz CQJYSPJXROWYNL-UHFFFAOYSA-N 1 2 407.561 2.357 20 0 HEADLO C[C@](O)(CNC(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1)c1cccs1 ZINC000740027693 1076104359 /nfs/dbraw/zinc/10/43/59/1076104359.db2.gz URVMDRWRIOGZOD-NRFANRHFSA-N 1 2 416.547 2.358 20 0 HEADLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)Nc1ccc(O[C@@H]2CCOC2)cc1 ZINC000740490494 1076171627 /nfs/dbraw/zinc/17/16/27/1076171627.db2.gz DSGFTYVMPGTCBJ-QZTJIDSGSA-N 1 2 400.479 2.220 20 0 HEADLO CC[C@H](C)NC(=O)CN1CC[NH+](CCOc2ccc3c(C)cc(=O)oc3c2)CC1 ZINC000740874549 1076277174 /nfs/dbraw/zinc/27/71/74/1076277174.db2.gz PCAIAUYWJGUPTI-KRWDZBQOSA-N 1 2 401.507 2.013 20 0 HEADLO C[C@H]1C[N@H+](Cc2ccc(S(=O)(=O)N(C)C)o2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000740881165 1076281526 /nfs/dbraw/zinc/28/15/26/1076281526.db2.gz GKIHRZFRNNBCDI-ZFWWWQNUSA-N 1 2 401.529 2.265 20 0 HEADLO C[C@H]1C[N@@H+](Cc2ccc(S(=O)(=O)N(C)C)o2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000740881165 1076281537 /nfs/dbraw/zinc/28/15/37/1076281537.db2.gz GKIHRZFRNNBCDI-ZFWWWQNUSA-N 1 2 401.529 2.265 20 0 HEADLO O=C1OCCN1c1ccc(S(=O)(=O)NCc2ccccc2Cn2cc[nH+]c2)cc1 ZINC000740890092 1076290155 /nfs/dbraw/zinc/29/01/55/1076290155.db2.gz RABUSZFBRZMIBK-UHFFFAOYSA-N 1 2 412.471 2.367 20 0 HEADLO COc1cc(C)c(C[NH+]2CCN(C(=O)COC(=O)C3CC=CC3)CC2)cc1OC ZINC000741045190 1076348549 /nfs/dbraw/zinc/34/85/49/1076348549.db2.gz ZMMFQXAOLYVQLX-UHFFFAOYSA-N 1 2 402.491 2.166 20 0 HEADLO CC[N@@H+]1CCCC[C@H]1C(=O)OCC(=O)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000741146770 1076392712 /nfs/dbraw/zinc/39/27/12/1076392712.db2.gz CCAGBEOQKLIRQH-IBGZPJMESA-N 1 2 401.507 2.281 20 0 HEADLO CC[N@H+]1CCCC[C@H]1C(=O)OCC(=O)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000741146770 1076392715 /nfs/dbraw/zinc/39/27/15/1076392715.db2.gz CCAGBEOQKLIRQH-IBGZPJMESA-N 1 2 401.507 2.281 20 0 HEADLO C[N@@H+]1CCCC[C@@H]1C(=O)OCC(=O)Nc1ccc(I)cc1 ZINC000741146392 1076392724 /nfs/dbraw/zinc/39/27/24/1076392724.db2.gz IQMNJKZCBIOFRM-CYBMUJFWSA-N 1 2 402.232 2.257 20 0 HEADLO C[N@H+]1CCCC[C@@H]1C(=O)OCC(=O)Nc1ccc(I)cc1 ZINC000741146392 1076392726 /nfs/dbraw/zinc/39/27/26/1076392726.db2.gz IQMNJKZCBIOFRM-CYBMUJFWSA-N 1 2 402.232 2.257 20 0 HEADLO O=C(COC(=O)c1ccccc1Cn1cccn1)N1CC[NH+](Cc2cccs2)CC1 ZINC000741345577 1076489508 /nfs/dbraw/zinc/48/95/08/1076489508.db2.gz GBGZSMYFXZNLNJ-UHFFFAOYSA-N 1 2 424.526 2.494 20 0 HEADLO CNC(=O)[C@H](NC(=O)COC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1)c1ccccc1 ZINC000741350994 1076491577 /nfs/dbraw/zinc/49/15/77/1076491577.db2.gz JRGBUBIIFHPCOM-RBBKRZOGSA-N 1 2 423.513 2.188 20 0 HEADLO CNC(=O)[C@H](NC(=O)COC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1)c1ccccc1 ZINC000741350994 1076491579 /nfs/dbraw/zinc/49/15/79/1076491579.db2.gz JRGBUBIIFHPCOM-RBBKRZOGSA-N 1 2 423.513 2.188 20 0 HEADLO O=C(C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)OCCn1cnc2ccccc2c1=O ZINC000741350431 1076492035 /nfs/dbraw/zinc/49/20/35/1076492035.db2.gz CTNNEGUIGKMOQJ-LJQANCHMSA-N 1 2 407.470 2.231 20 0 HEADLO O=C(C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)OCCn1cnc2ccccc2c1=O ZINC000741350431 1076492044 /nfs/dbraw/zinc/49/20/44/1076492044.db2.gz CTNNEGUIGKMOQJ-LJQANCHMSA-N 1 2 407.470 2.231 20 0 HEADLO Cc1ccccc1CCNC(=O)COC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000741355218 1076493506 /nfs/dbraw/zinc/49/35/06/1076493506.db2.gz ORHLFEBIHZYXPO-QFIPXVFZSA-N 1 2 410.514 2.488 20 0 HEADLO Cc1ccccc1CCNC(=O)COC(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000741355218 1076493512 /nfs/dbraw/zinc/49/35/12/1076493512.db2.gz ORHLFEBIHZYXPO-QFIPXVFZSA-N 1 2 410.514 2.488 20 0 HEADLO Cc1ccc2nc(COC(=O)C[C@H]3C[N@H+](Cc4ccccc4)CCO3)cc(=O)n2c1 ZINC000741355943 1076494065 /nfs/dbraw/zinc/49/40/65/1076494065.db2.gz PXHUDZAPPHRHDA-FQEVSTJZSA-N 1 2 407.470 2.337 20 0 HEADLO Cc1ccc2nc(COC(=O)C[C@H]3C[N@@H+](Cc4ccccc4)CCO3)cc(=O)n2c1 ZINC000741355943 1076494069 /nfs/dbraw/zinc/49/40/69/1076494069.db2.gz PXHUDZAPPHRHDA-FQEVSTJZSA-N 1 2 407.470 2.337 20 0 HEADLO C[C@@H](OC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1)C(=O)NCc1ccc(F)cc1 ZINC000741387474 1076496134 /nfs/dbraw/zinc/49/61/34/1076496134.db2.gz YHJFJEPEASKTKG-OXQOHEQNSA-N 1 2 400.450 2.275 20 0 HEADLO C[C@@H](OC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1)C(=O)NCc1ccc(F)cc1 ZINC000741387474 1076496138 /nfs/dbraw/zinc/49/61/38/1076496138.db2.gz YHJFJEPEASKTKG-OXQOHEQNSA-N 1 2 400.450 2.275 20 0 HEADLO CC(C)n1nccc1NC(=O)[C@H](C)OC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000741382608 1076506966 /nfs/dbraw/zinc/50/69/66/1076506966.db2.gz QOFYLMHBQXJBBK-WMZOPIPTSA-N 1 2 400.479 2.235 20 0 HEADLO CC(C)n1nccc1NC(=O)[C@H](C)OC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000741382608 1076506972 /nfs/dbraw/zinc/50/69/72/1076506972.db2.gz QOFYLMHBQXJBBK-WMZOPIPTSA-N 1 2 400.479 2.235 20 0 HEADLO Cc1ccccc1CCNC(=O)[C@H](C)OC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000741383359 1076508059 /nfs/dbraw/zinc/50/80/59/1076508059.db2.gz LYSLOGNLNCISGI-SIKLNZKXSA-N 1 2 410.514 2.486 20 0 HEADLO Cc1ccccc1CCNC(=O)[C@H](C)OC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000741383359 1076508072 /nfs/dbraw/zinc/50/80/72/1076508072.db2.gz LYSLOGNLNCISGI-SIKLNZKXSA-N 1 2 410.514 2.486 20 0 HEADLO CCN(C(C)=O)c1nc(COC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cs1 ZINC000741383824 1076508095 /nfs/dbraw/zinc/50/80/95/1076508095.db2.gz NEHPZLOLNBJZEN-SFHVURJKSA-N 1 2 403.504 2.460 20 0 HEADLO CCN(C(C)=O)c1nc(COC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cs1 ZINC000741383824 1076508107 /nfs/dbraw/zinc/50/81/07/1076508107.db2.gz NEHPZLOLNBJZEN-SFHVURJKSA-N 1 2 403.504 2.460 20 0 HEADLO COc1c(C)c[nH+]c(CNC(=O)c2ccc(N3CCCS3(=O)=O)cc2C)c1C ZINC000741549836 1076545764 /nfs/dbraw/zinc/54/57/64/1076545764.db2.gz NTPHYOYCGVFCJB-UHFFFAOYSA-N 1 2 403.504 2.485 20 0 HEADLO COCCCn1c(=O)c2ccc(C(=O)N(C)[C@H]3CC[N@H+](C)C[C@@H]3C)cc2[nH]c1=S ZINC000741705785 1076599632 /nfs/dbraw/zinc/59/96/32/1076599632.db2.gz UKESIFUDINODGK-KSSFIOAISA-N 1 2 418.563 2.134 20 0 HEADLO COCCCn1c(=O)c2ccc(C(=O)N(C)[C@H]3CC[N@@H+](C)C[C@@H]3C)cc2[nH]c1=S ZINC000741705785 1076599637 /nfs/dbraw/zinc/59/96/37/1076599637.db2.gz UKESIFUDINODGK-KSSFIOAISA-N 1 2 418.563 2.134 20 0 HEADLO CNC(=O)[C@H](NC(=O)C[NH+]1CCC(O)(c2cccc(C)c2C)CC1)c1ccccc1 ZINC000741805387 1076643535 /nfs/dbraw/zinc/64/35/35/1076643535.db2.gz QDBZLTNYOOAJSV-JOCHJYFZSA-N 1 2 409.530 2.190 20 0 HEADLO CCC(=O)NCc1cc(S(=O)(=O)NCc2[nH+]cc(C)c(OC)c2C)ccc1OC ZINC000751981574 1076653182 /nfs/dbraw/zinc/65/31/82/1076653182.db2.gz BVTPFTFXCNTDIQ-UHFFFAOYSA-N 1 2 421.519 2.220 20 0 HEADLO Fc1cccc(-c2nnc(Cn3nnc([C@@H]4C[N@H+](Cc5ccccc5)CCO4)n3)o2)c1 ZINC000741861699 1076658591 /nfs/dbraw/zinc/65/85/91/1076658591.db2.gz STKBHDJNIKGZSI-SFHVURJKSA-N 1 2 421.436 2.484 20 0 HEADLO Fc1cccc(-c2nnc(Cn3nnc([C@@H]4C[N@@H+](Cc5ccccc5)CCO4)n3)o2)c1 ZINC000741861699 1076658599 /nfs/dbraw/zinc/65/85/99/1076658599.db2.gz STKBHDJNIKGZSI-SFHVURJKSA-N 1 2 421.436 2.484 20 0 HEADLO C[C@H]1CN(C(=O)C2CC[NH+](Cc3nccn3C)CC2)CCN1C(=O)OC(C)(C)C ZINC000742086907 1076741058 /nfs/dbraw/zinc/74/10/58/1076741058.db2.gz WMJNRCWBUSRMQH-INIZCTEOSA-N 1 2 405.543 2.100 20 0 HEADLO CCCC1N=NC(=S)N1CC(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000742113410 1076746090 /nfs/dbraw/zinc/74/60/90/1076746090.db2.gz JPQAUXACXYODBK-UHFFFAOYSA-N 1 2 402.568 2.371 20 0 HEADLO C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(CN2C(=O)NC3(CCOCC3)C2=O)CC1 ZINC000742176849 1076792500 /nfs/dbraw/zinc/79/25/00/1076792500.db2.gz NKJYZQDVSHYRER-OAHLLOKOSA-N 1 2 406.914 2.077 20 0 HEADLO C[N@H+](CC(F)F)C1CCN(C(=O)CSCc2cc(=O)n3ccsc3n2)CC1 ZINC000742237526 1076803315 /nfs/dbraw/zinc/80/33/15/1076803315.db2.gz KYWFEUKJHMTQLL-UHFFFAOYSA-N 1 2 416.519 2.177 20 0 HEADLO C[N@@H+](CC(F)F)C1CCN(C(=O)CSCc2cc(=O)n3ccsc3n2)CC1 ZINC000742237526 1076803316 /nfs/dbraw/zinc/80/33/16/1076803316.db2.gz KYWFEUKJHMTQLL-UHFFFAOYSA-N 1 2 416.519 2.177 20 0 HEADLO C[N@H+](CC(F)F)C1CCN(C(=O)C2=NN(Cc3ccc(F)cc3)C(=O)CC2)CC1 ZINC000742237767 1076803320 /nfs/dbraw/zinc/80/33/20/1076803320.db2.gz ORDXPUZDBNABDG-UHFFFAOYSA-N 1 2 410.440 2.492 20 0 HEADLO C[N@@H+](CC(F)F)C1CCN(C(=O)C2=NN(Cc3ccc(F)cc3)C(=O)CC2)CC1 ZINC000742237767 1076803322 /nfs/dbraw/zinc/80/33/22/1076803322.db2.gz ORDXPUZDBNABDG-UHFFFAOYSA-N 1 2 410.440 2.492 20 0 HEADLO CNS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC([N@H+](C)CC(F)F)CC2)c1 ZINC000742237619 1076803368 /nfs/dbraw/zinc/80/33/68/1076803368.db2.gz NILQSFICFNFSGD-UHFFFAOYSA-N 1 2 409.886 2.050 20 0 HEADLO CNS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC([N@@H+](C)CC(F)F)CC2)c1 ZINC000742237619 1076803371 /nfs/dbraw/zinc/80/33/71/1076803371.db2.gz NILQSFICFNFSGD-UHFFFAOYSA-N 1 2 409.886 2.050 20 0 HEADLO CCOC(=O)N1CCC(S(=O)(=O)N2CC[NH+](Cc3ccccc3C)CC2)CC1 ZINC000742271246 1076807321 /nfs/dbraw/zinc/80/73/21/1076807321.db2.gz DVZRXSYWTHOBRP-UHFFFAOYSA-N 1 2 409.552 2.063 20 0 HEADLO O=C(C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)NCC[S@@](=O)Cc1ccccc1 ZINC000742252432 1076809984 /nfs/dbraw/zinc/80/99/84/1076809984.db2.gz AWYBAWSNCILXQQ-LYZGTLIUSA-N 1 2 400.544 2.343 20 0 HEADLO O=C(C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)NCC[S@@](=O)Cc1ccccc1 ZINC000742252432 1076809985 /nfs/dbraw/zinc/80/99/85/1076809985.db2.gz AWYBAWSNCILXQQ-LYZGTLIUSA-N 1 2 400.544 2.343 20 0 HEADLO N=C1NC(=O)[C@@H](CC(=O)N2CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3)CC2)S1 ZINC000742501499 1076845779 /nfs/dbraw/zinc/84/57/79/1076845779.db2.gz PCCDEEIITJTJMW-CQSZACIVSA-N 1 2 414.453 2.296 20 0 HEADLO N=C1NC(=O)[C@@H](CC(=O)N2CCC[N@H+](Cc3ccc(C(F)(F)F)cc3)CC2)S1 ZINC000742501499 1076845780 /nfs/dbraw/zinc/84/57/80/1076845780.db2.gz PCCDEEIITJTJMW-CQSZACIVSA-N 1 2 414.453 2.296 20 0 HEADLO N=C1NC(=O)C(CC(=O)N2CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3)CC2)S1 ZINC000742501499 1076845781 /nfs/dbraw/zinc/84/57/81/1076845781.db2.gz PCCDEEIITJTJMW-CQSZACIVSA-N 1 2 414.453 2.296 20 0 HEADLO N=C1NC(=O)C(CC(=O)N2CCC[N@H+](Cc3ccc(C(F)(F)F)cc3)CC2)S1 ZINC000742501499 1076845784 /nfs/dbraw/zinc/84/57/84/1076845784.db2.gz PCCDEEIITJTJMW-CQSZACIVSA-N 1 2 414.453 2.296 20 0 HEADLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)[C@@H](CNC(=O)OC(C)(C)C)c1ccccc1 ZINC000742646861 1076857597 /nfs/dbraw/zinc/85/75/97/1076857597.db2.gz UGHQVYOBEIVXTD-HKUYNNGSSA-N 1 2 404.555 2.047 20 0 HEADLO C[C@@H](NC(=S)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1)c1cccs1 ZINC000737465774 1076872317 /nfs/dbraw/zinc/87/23/17/1076872317.db2.gz VVNQTWQETJKDEP-OAHLLOKOSA-N 1 2 418.592 2.132 20 0 HEADLO C[C@@H](NC(=S)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1)c1cccs1 ZINC000737465774 1076872319 /nfs/dbraw/zinc/87/23/19/1076872319.db2.gz VVNQTWQETJKDEP-OAHLLOKOSA-N 1 2 418.592 2.132 20 0 HEADLO C[NH+]1CCN(CCOc2ccc(NC(=O)c3nnc4ccccc4c3O)cc2)CC1 ZINC000742896600 1076893867 /nfs/dbraw/zinc/89/38/67/1076893867.db2.gz AKDHMXVQRAWASI-UHFFFAOYSA-N 1 2 407.474 2.214 20 0 HEADLO Cc1noc(C)c1S(=O)(=O)N1CCC[N@H+](C[C@@H](O)c2cc(C)cc(C)c2)CC1 ZINC000743255586 1077015186 /nfs/dbraw/zinc/01/51/86/1077015186.db2.gz JPYSNMVDNABOBF-LJQANCHMSA-N 1 2 407.536 2.338 20 0 HEADLO Cc1noc(C)c1S(=O)(=O)N1CCC[N@@H+](C[C@@H](O)c2cc(C)cc(C)c2)CC1 ZINC000743255586 1077015191 /nfs/dbraw/zinc/01/51/91/1077015191.db2.gz JPYSNMVDNABOBF-LJQANCHMSA-N 1 2 407.536 2.338 20 0 HEADLO O=C(C[NH+]1CCN(c2ccccn2)CC1)N1CCC([C@@H](O)c2ccc(F)cc2)CC1 ZINC000743339345 1077026288 /nfs/dbraw/zinc/02/62/88/1077026288.db2.gz PJXYJBRWALWWCJ-QHCPKHFHSA-N 1 2 412.509 2.315 20 0 HEADLO C[N@H+](C[C@@H]1CCCO1)CN1C(=O)N[C@]2(CCCC[C@@H]2CNC(=O)OC(C)(C)C)C1=O ZINC000743365135 1077033445 /nfs/dbraw/zinc/03/34/45/1077033445.db2.gz QQEWVSACHFFIPG-XFQAVAEZSA-N 1 2 424.542 2.060 20 0 HEADLO C[N@@H+](C[C@@H]1CCCO1)CN1C(=O)N[C@]2(CCCC[C@@H]2CNC(=O)OC(C)(C)C)C1=O ZINC000743365135 1077033451 /nfs/dbraw/zinc/03/34/51/1077033451.db2.gz QQEWVSACHFFIPG-XFQAVAEZSA-N 1 2 424.542 2.060 20 0 HEADLO C[C@]1(c2ccc(F)cc2Cl)NC(=O)N(CN2CCC[C@@H]2C[NH+]2CCOCC2)C1=O ZINC000743373835 1077035150 /nfs/dbraw/zinc/03/51/50/1077035150.db2.gz COMFSQXYQMNDJK-FOIQADDNSA-N 1 2 424.904 2.000 20 0 HEADLO C[C@]1(c2ccc(F)cc2Cl)NC(=O)N(C[N@@H+]2CCC[C@@H]2CN2CCOCC2)C1=O ZINC000743373835 1077035156 /nfs/dbraw/zinc/03/51/56/1077035156.db2.gz COMFSQXYQMNDJK-FOIQADDNSA-N 1 2 424.904 2.000 20 0 HEADLO C[C@]1(c2ccc(F)cc2Cl)NC(=O)N(C[N@H+]2CCC[C@@H]2CN2CCOCC2)C1=O ZINC000743373835 1077035164 /nfs/dbraw/zinc/03/51/64/1077035164.db2.gz COMFSQXYQMNDJK-FOIQADDNSA-N 1 2 424.904 2.000 20 0 HEADLO Cc1ccc(CC[N@H+](C[C@H]2CCCO2)CN2C(=O)NC3(CCOCC3)C2=O)cc1 ZINC000743387821 1077039450 /nfs/dbraw/zinc/03/94/50/1077039450.db2.gz MAFPYTGTXDPRHU-LJQANCHMSA-N 1 2 401.507 2.077 20 0 HEADLO Cc1ccc(CC[N@@H+](C[C@H]2CCCO2)CN2C(=O)NC3(CCOCC3)C2=O)cc1 ZINC000743387821 1077039458 /nfs/dbraw/zinc/03/94/58/1077039458.db2.gz MAFPYTGTXDPRHU-LJQANCHMSA-N 1 2 401.507 2.077 20 0 HEADLO Cc1ccc(CC[N@H+](C[C@@H]2CCCO2)CN2C(=O)C(=O)N(CC(C)C)C2=O)cc1 ZINC000743389277 1077039638 /nfs/dbraw/zinc/03/96/38/1077039638.db2.gz VQCINGWYRBZTER-IBGZPJMESA-N 1 2 401.507 2.423 20 0 HEADLO Cc1ccc(CC[N@@H+](C[C@@H]2CCCO2)CN2C(=O)C(=O)N(CC(C)C)C2=O)cc1 ZINC000743389277 1077039642 /nfs/dbraw/zinc/03/96/42/1077039642.db2.gz VQCINGWYRBZTER-IBGZPJMESA-N 1 2 401.507 2.423 20 0 HEADLO COC(=O)CC[N@H+](Cn1c2cnccc2n(Cc2ccccc2)c1=O)C1CCOCC1 ZINC000743404032 1077043665 /nfs/dbraw/zinc/04/36/65/1077043665.db2.gz GLPJIZOECZZIGM-UHFFFAOYSA-N 1 2 424.501 2.248 20 0 HEADLO COC(=O)CC[N@@H+](Cn1c2cnccc2n(Cc2ccccc2)c1=O)C1CCOCC1 ZINC000743404032 1077043670 /nfs/dbraw/zinc/04/36/70/1077043670.db2.gz GLPJIZOECZZIGM-UHFFFAOYSA-N 1 2 424.501 2.248 20 0 HEADLO Cc1ccc(OC[C@H](C)NC(=O)C(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)cc1 ZINC000743425558 1077046200 /nfs/dbraw/zinc/04/62/00/1077046200.db2.gz ZWDLBVBIYUSXME-IBGZPJMESA-N 1 2 424.545 2.265 20 0 HEADLO Cn1cc[nH+]c1C[C@H](NC(=O)NCc1ccc(-n2cncn2)nc1)c1ccccc1 ZINC000743546428 1077066346 /nfs/dbraw/zinc/06/63/46/1077066346.db2.gz FAABAVQMMGZHET-SFHVURJKSA-N 1 2 402.462 2.179 20 0 HEADLO CN(C)c1ccc([NH+]2CCC(NC(=O)NCc3ccc(-n4cncn4)nc3)CC2)cc1 ZINC000743547974 1077066887 /nfs/dbraw/zinc/06/68/87/1077066887.db2.gz QEPRMDLUPIZMSZ-UHFFFAOYSA-N 1 2 420.521 2.197 20 0 HEADLO C[C@@H]1C[C@@H](c2cccc(F)c2)N(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC000743602765 1077079222 /nfs/dbraw/zinc/07/92/22/1077079222.db2.gz PTUWRBVWYTWIMU-BEFAXECRSA-N 1 2 411.543 2.427 20 0 HEADLO Cc1cccc(C2N=NC(=S)N2CCC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)c1 ZINC000743727942 1077097653 /nfs/dbraw/zinc/09/76/53/1077097653.db2.gz GWXINMQPIMSJGK-SFHVURJKSA-N 1 2 415.563 2.256 20 0 HEADLO Cn1cc[nH+]c1C[C@@H](NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1)c1ccccc1 ZINC000743838764 1077140293 /nfs/dbraw/zinc/14/02/93/1077140293.db2.gz XZHWMZKUDDLXOH-MRXNPFEDSA-N 1 2 418.906 2.435 20 0 HEADLO CCc1ccc(N2CC[NH+](CC(=O)N(CCC(N)=O)Cc3ccccc3)CC2)cc1 ZINC000743866715 1077152298 /nfs/dbraw/zinc/15/22/98/1077152298.db2.gz IMVICSFGLMQHPO-UHFFFAOYSA-N 1 2 408.546 2.275 20 0 HEADLO CCc1ccc(N2CC[NH+](CC(=O)N3CCC(C(=O)N4CCCC4)CC3)CC2)cc1 ZINC000743867072 1077153228 /nfs/dbraw/zinc/15/32/28/1077153228.db2.gz KPYMZHHQDZTOHZ-UHFFFAOYSA-N 1 2 412.578 2.232 20 0 HEADLO Cc1ccc(S(=O)(=O)NCC[N@@H+](C)C[C@H]2CN(c3ccccc3)C(=O)O2)cc1 ZINC000743866935 1077153711 /nfs/dbraw/zinc/15/37/11/1077153711.db2.gz QUCPXPHHHPEWMX-SFHVURJKSA-N 1 2 403.504 2.231 20 0 HEADLO Cc1ccc(S(=O)(=O)NCC[N@H+](C)C[C@H]2CN(c3ccccc3)C(=O)O2)cc1 ZINC000743866935 1077153720 /nfs/dbraw/zinc/15/37/20/1077153720.db2.gz QUCPXPHHHPEWMX-SFHVURJKSA-N 1 2 403.504 2.231 20 0 HEADLO O=C(NCCc1cn2c([nH+]1)CCCC2)C(=O)Nc1ccc(N2CCSCC2)cc1 ZINC000743884538 1077173483 /nfs/dbraw/zinc/17/34/83/1077173483.db2.gz SAEJYDCICBSZSP-UHFFFAOYSA-N 1 2 413.547 2.070 20 0 HEADLO C[N@H+](CCC(=O)Nc1ccc(C(N)=O)c(Cl)c1)Cc1cnn(-c2ccccc2)n1 ZINC000744388427 1077372820 /nfs/dbraw/zinc/37/28/20/1077372820.db2.gz PEXVWVWJAMRCPJ-UHFFFAOYSA-N 1 2 412.881 2.480 20 0 HEADLO C[N@@H+](CCC(=O)Nc1ccc(C(N)=O)c(Cl)c1)Cc1cnn(-c2ccccc2)n1 ZINC000744388427 1077372826 /nfs/dbraw/zinc/37/28/26/1077372826.db2.gz PEXVWVWJAMRCPJ-UHFFFAOYSA-N 1 2 412.881 2.480 20 0 HEADLO COCc1ccc(CNC(=O)C[N@@H+]2CCc3c(cccc3N3CCOC3=O)C2)cc1 ZINC000744411482 1077384842 /nfs/dbraw/zinc/38/48/42/1077384842.db2.gz GCQXERGSXCBJGR-UHFFFAOYSA-N 1 2 409.486 2.464 20 0 HEADLO COCc1ccc(CNC(=O)C[N@H+]2CCc3c(cccc3N3CCOC3=O)C2)cc1 ZINC000744411482 1077384846 /nfs/dbraw/zinc/38/48/46/1077384846.db2.gz GCQXERGSXCBJGR-UHFFFAOYSA-N 1 2 409.486 2.464 20 0 HEADLO CC[N@@H+]1CCCC[C@@H]1C(=O)O[C@@H](C)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O ZINC000745087335 1077724590 /nfs/dbraw/zinc/72/45/90/1077724590.db2.gz RHHNSTDSULJFFH-FUHWJXTLSA-N 1 2 414.506 2.229 20 0 HEADLO CC[N@H+]1CCCC[C@@H]1C(=O)O[C@@H](C)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O ZINC000745087335 1077724596 /nfs/dbraw/zinc/72/45/96/1077724596.db2.gz RHHNSTDSULJFFH-FUHWJXTLSA-N 1 2 414.506 2.229 20 0 HEADLO CC[N@@H+]1CCCC[C@@H]1C(=O)OCC(=O)NC1CCN(C(=O)C2CCCCC2)CC1 ZINC000745084529 1077736301 /nfs/dbraw/zinc/73/63/01/1077736301.db2.gz UPLQEOPYOLINBW-LJQANCHMSA-N 1 2 407.555 2.092 20 0 HEADLO CC[N@H+]1CCCC[C@@H]1C(=O)OCC(=O)NC1CCN(C(=O)C2CCCCC2)CC1 ZINC000745084529 1077736310 /nfs/dbraw/zinc/73/63/10/1077736310.db2.gz UPLQEOPYOLINBW-LJQANCHMSA-N 1 2 407.555 2.092 20 0 HEADLO Cc1nn(C)c(C)c1C[C@H](C)C(=O)OCC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000745274316 1077800316 /nfs/dbraw/zinc/80/03/16/1077800316.db2.gz DOTJCDAFYFMCMV-HNNXBMFYSA-N 1 2 418.563 2.165 20 0 HEADLO COc1ccc([C@@H]2CCCN2C(=O)COC(=O)C[N@H+](C)[C@@H]2CCSC2)cc1OC ZINC000767113571 1079667226 /nfs/dbraw/zinc/66/72/26/1079667226.db2.gz WKEVZQCLDAVLRX-SJORKVTESA-N 1 2 422.547 2.348 20 0 HEADLO COc1ccc([C@@H]2CCCN2C(=O)COC(=O)C[N@@H+](C)[C@@H]2CCSC2)cc1OC ZINC000767113571 1079667232 /nfs/dbraw/zinc/66/72/32/1079667232.db2.gz WKEVZQCLDAVLRX-SJORKVTESA-N 1 2 422.547 2.348 20 0 HEADLO C[N@H+](CC(=O)OCC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2)[C@@H]1CCSC1 ZINC000772045994 1079667592 /nfs/dbraw/zinc/66/75/92/1079667592.db2.gz FGGXVORRFKDIMJ-SJORKVTESA-N 1 2 420.531 2.102 20 0 HEADLO C[N@@H+](CC(=O)OCC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2)[C@@H]1CCSC1 ZINC000772045994 1079667598 /nfs/dbraw/zinc/66/75/98/1079667598.db2.gz FGGXVORRFKDIMJ-SJORKVTESA-N 1 2 420.531 2.102 20 0 HEADLO C[N@H+](CC(=O)OCC(=O)Nc1ccccc1C(=O)NC1CCCC1)[C@H]1CCSC1 ZINC000772049460 1079669808 /nfs/dbraw/zinc/66/98/08/1079669808.db2.gz OFEBLUFTMOYPAY-INIZCTEOSA-N 1 2 419.547 2.278 20 0 HEADLO C[N@@H+](CC(=O)OCC(=O)Nc1ccccc1C(=O)NC1CCCC1)[C@H]1CCSC1 ZINC000772049460 1079669815 /nfs/dbraw/zinc/66/98/15/1079669815.db2.gz OFEBLUFTMOYPAY-INIZCTEOSA-N 1 2 419.547 2.278 20 0 HEADLO CCN(CC)C(=O)c1cccc(NC(=O)[C@H](C)OC(=O)C[N@H+](C)[C@@H]2CCSC2)c1 ZINC000772049616 1079669880 /nfs/dbraw/zinc/66/98/80/1079669880.db2.gz RMXZXUUEVAITDL-MAUKXSAKSA-N 1 2 421.563 2.476 20 0 HEADLO CCN(CC)C(=O)c1cccc(NC(=O)[C@H](C)OC(=O)C[N@@H+](C)[C@@H]2CCSC2)c1 ZINC000772049616 1079669885 /nfs/dbraw/zinc/66/98/85/1079669885.db2.gz RMXZXUUEVAITDL-MAUKXSAKSA-N 1 2 421.563 2.476 20 0 HEADLO COC(=O)c1n[nH]c2ccc(NC(=O)N3CCCC[C@H]3C[NH+]3CCOCC3)cc21 ZINC000772332091 1079825205 /nfs/dbraw/zinc/82/52/05/1079825205.db2.gz PBDQFULBDCTWIG-HNNXBMFYSA-N 1 2 401.467 2.068 20 0 HEADLO Cc1cncc(/C=C\C(=O)OCC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)c1 ZINC000772364126 1079846892 /nfs/dbraw/zinc/84/68/92/1079846892.db2.gz DWTOXAYJPZTMHW-HYXAFXHYSA-N 1 2 421.497 2.226 20 0 HEADLO CC[C@](C)(CNC(=O)OC(C)(C)C)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000747858786 1079852858 /nfs/dbraw/zinc/85/28/58/1079852858.db2.gz ZHQXDKANGUAFAF-HXUWFJFHSA-N 1 2 409.531 2.095 20 0 HEADLO CC(=O)c1cccc(C(=O)OCC(=O)NCc2ccccc2C[NH+]2CCOCC2)c1 ZINC000767435373 1079863322 /nfs/dbraw/zinc/86/33/22/1079863322.db2.gz QLXJQBRJQXJCIG-UHFFFAOYSA-N 1 2 410.470 2.195 20 0 HEADLO CCOc1ccc(-c2noc(CCC(=O)OCC[N@H+]3C[C@H]4CC[C@@H](C3)O4)n2)cc1 ZINC000767477240 1079894912 /nfs/dbraw/zinc/89/49/12/1079894912.db2.gz YZFBAQZSDBXPHK-HDICACEKSA-N 1 2 401.463 2.474 20 0 HEADLO CCOc1ccc(-c2noc(CCC(=O)OCC[N@@H+]3C[C@H]4CC[C@@H](C3)O4)n2)cc1 ZINC000767477240 1079894913 /nfs/dbraw/zinc/89/49/13/1079894913.db2.gz YZFBAQZSDBXPHK-HDICACEKSA-N 1 2 401.463 2.474 20 0 HEADLO O=C(COC(=O)c1ccc(OC(F)F)cn1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000772539895 1079922039 /nfs/dbraw/zinc/92/20/39/1079922039.db2.gz JFPHHSWDNUHHFI-UHFFFAOYSA-N 1 2 411.430 2.246 20 0 HEADLO NC(=O)c1ccc(C[NH+]2CCN(C(=O)C[C@@H](O)c3ccc(Cl)cc3)CC2)cc1 ZINC000772593053 1079953315 /nfs/dbraw/zinc/95/33/15/1079953315.db2.gz LBAVUTPOUXEVBH-LJQANCHMSA-N 1 2 401.894 2.207 20 0 HEADLO Cc1ccc(S(=O)(=O)n2ccc(C(=O)OCC[N@H+]3C[C@H]4CC[C@@H](C3)O4)c2)cc1 ZINC000767546646 1079954261 /nfs/dbraw/zinc/95/42/61/1079954261.db2.gz TXXCPBDRIVTWMX-HDICACEKSA-N 1 2 404.488 2.054 20 0 HEADLO Cc1ccc(S(=O)(=O)n2ccc(C(=O)OCC[N@@H+]3C[C@H]4CC[C@@H](C3)O4)c2)cc1 ZINC000767546646 1079954267 /nfs/dbraw/zinc/95/42/67/1079954267.db2.gz TXXCPBDRIVTWMX-HDICACEKSA-N 1 2 404.488 2.054 20 0 HEADLO O=C(COC(=O)c1ccc(OC(F)F)cn1)N1CC[NH+](Cc2cccs2)CC1 ZINC000772548687 1079956852 /nfs/dbraw/zinc/95/68/52/1079956852.db2.gz WAARNSQJXVQCLW-UHFFFAOYSA-N 1 2 411.430 2.246 20 0 HEADLO O=C(C[C@@H](O)c1cccc(F)c1)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000772613516 1079979604 /nfs/dbraw/zinc/97/96/04/1079979604.db2.gz WMNNODVBUGEJBL-HXUWFJFHSA-N 1 2 402.466 2.277 20 0 HEADLO Cc1ccc(S(=O)(=O)N[C@@H](CC[N@@H+]2CCOC[C@@H]2CCO)c2ccccc2)cc1 ZINC000767597790 1079996627 /nfs/dbraw/zinc/99/66/27/1079996627.db2.gz IAHRLZOAAYMCKB-UNMCSNQZSA-N 1 2 418.559 2.488 20 0 HEADLO Cc1ccc(S(=O)(=O)N[C@@H](CC[N@H+]2CCOC[C@@H]2CCO)c2ccccc2)cc1 ZINC000767597790 1079996646 /nfs/dbraw/zinc/99/66/46/1079996646.db2.gz IAHRLZOAAYMCKB-UNMCSNQZSA-N 1 2 418.559 2.488 20 0 HEADLO C[N@H+](CCC(C)(C)O)Cc1cccc(Br)c1OCCS(C)(=O)=O ZINC000785528015 1080038464 /nfs/dbraw/zinc/03/84/64/1080038464.db2.gz CWHFOUOKZFDXMW-UHFFFAOYSA-N 1 2 408.358 2.465 20 0 HEADLO C[N@@H+](CCC(C)(C)O)Cc1cccc(Br)c1OCCS(C)(=O)=O ZINC000785528015 1080038471 /nfs/dbraw/zinc/03/84/71/1080038471.db2.gz CWHFOUOKZFDXMW-UHFFFAOYSA-N 1 2 408.358 2.465 20 0 HEADLO CO[C@@H](CNC(=O)OC(C)(C)C)CC(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000767710730 1080045837 /nfs/dbraw/zinc/04/58/37/1080045837.db2.gz HREUKIDVLWOTPS-LJQANCHMSA-N 1 2 420.554 2.302 20 0 HEADLO COc1cccc([C@@H]2CN(C(=O)C3(n4cc(Br)cn4)CC3)CC[NH2+]2)c1 ZINC001169974395 1080058432 /nfs/dbraw/zinc/05/84/32/1080058432.db2.gz JPVJIJRGQRNBKB-INIZCTEOSA-N 1 2 405.296 2.316 20 0 HEADLO CCOc1ccnc(N2CCC[N@H+](CN3C(=O)C[C@@](C)(CC(C)C)C3=O)CC2)n1 ZINC000767795518 1080098278 /nfs/dbraw/zinc/09/82/78/1080098278.db2.gz CRPSFORGIAGSEC-OAQYLSRUSA-N 1 2 403.527 2.156 20 0 HEADLO CCOc1ccnc(N2CCC[N@@H+](CN3C(=O)C[C@@](C)(CC(C)C)C3=O)CC2)n1 ZINC000767795518 1080098290 /nfs/dbraw/zinc/09/82/90/1080098290.db2.gz CRPSFORGIAGSEC-OAQYLSRUSA-N 1 2 403.527 2.156 20 0 HEADLO O=C(COC(=O)c1cccc(-c2nc[nH]n2)c1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000767808234 1080111130 /nfs/dbraw/zinc/11/11/30/1080111130.db2.gz QQKKMUHBPWBTMV-UHFFFAOYSA-N 1 2 421.457 2.099 20 0 HEADLO O=C(OCc1cc2ccccc2c(Cl)n1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000785657041 1080178055 /nfs/dbraw/zinc/17/80/55/1080178055.db2.gz MMXDXVPGIDVFNX-INIZCTEOSA-N 1 2 417.893 2.112 20 0 HEADLO COCCN(CCNC(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1)C(=O)OC(C)(C)C ZINC000767857718 1080181837 /nfs/dbraw/zinc/18/18/37/1080181837.db2.gz MAADSMIRIGUUCW-MRXNPFEDSA-N 1 2 409.531 2.193 20 0 HEADLO CCc1nn(C)c(Cl)c1C(=O)OCC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000767842428 1080194002 /nfs/dbraw/zinc/19/40/02/1080194002.db2.gz UBSJRCKIAZPONR-UHFFFAOYSA-N 1 2 410.927 2.199 20 0 HEADLO Cc1cc(NC(=O)N2CCC[C@@H](C(=O)NCCNC(=O)OC(C)(C)C)C2)c(C)c[nH+]1 ZINC000767943284 1080235999 /nfs/dbraw/zinc/23/59/99/1080235999.db2.gz OQJMYHDRNQWOGK-MRXNPFEDSA-N 1 2 419.526 2.005 20 0 HEADLO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000785814715 1080255627 /nfs/dbraw/zinc/25/56/27/1080255627.db2.gz DUIQWQKNVZHVOA-ZDUSSCGKSA-N 1 2 420.453 2.305 20 0 HEADLO C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000785814715 1080255636 /nfs/dbraw/zinc/25/56/36/1080255636.db2.gz DUIQWQKNVZHVOA-ZDUSSCGKSA-N 1 2 420.453 2.305 20 0 HEADLO Cn1nccc1COCC(=O)N1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000785821292 1080258905 /nfs/dbraw/zinc/25/89/05/1080258905.db2.gz JUVOOWJAGSMBHP-UHFFFAOYSA-N 1 2 412.412 2.180 20 0 HEADLO O=C(COC(=O)c1cc(O)ccc1Cl)NCc1ccccc1C[NH+]1CCOCC1 ZINC000785868554 1080289152 /nfs/dbraw/zinc/28/91/52/1080289152.db2.gz HOMQPQAWPSEBLI-UHFFFAOYSA-N 1 2 418.877 2.351 20 0 HEADLO C[C@H](CNC(=O)C1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H](C1)C2=O)Cn1cc[nH+]c1 ZINC000768173819 1080384949 /nfs/dbraw/zinc/38/49/49/1080384949.db2.gz JMRPLGABGBAFEX-MGNMYUMUSA-N 1 2 404.511 2.098 20 0 HEADLO CCC[N@H+](CC(=O)N1CCC2(CC1)OCCO2)[C@H](C)C(=O)Nc1ccccc1C ZINC000786133178 1080453577 /nfs/dbraw/zinc/45/35/77/1080453577.db2.gz KULRFXDSAHYBHH-GOSISDBHSA-N 1 2 403.523 2.400 20 0 HEADLO CCC[N@@H+](CC(=O)N1CCC2(CC1)OCCO2)[C@H](C)C(=O)Nc1ccccc1C ZINC000786133178 1080453587 /nfs/dbraw/zinc/45/35/87/1080453587.db2.gz KULRFXDSAHYBHH-GOSISDBHSA-N 1 2 403.523 2.400 20 0 HEADLO CC(=O)CCC(C)(C)C(=O)OCC(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000786215765 1080502524 /nfs/dbraw/zinc/50/25/24/1080502524.db2.gz XCSMPPVEGGSOFI-UHFFFAOYSA-N 1 2 418.538 2.496 20 0 HEADLO Cc1cc(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)c(C)cc1Br ZINC000768402861 1080526479 /nfs/dbraw/zinc/52/64/79/1080526479.db2.gz QODYJCVRURWMLW-UHFFFAOYSA-N 1 2 417.369 2.305 20 0 HEADLO C[N@@H+]1CCN(C(=O)c2cc(Cc3ccccc3)n[nH]2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000786303100 1080545681 /nfs/dbraw/zinc/54/56/81/1080545681.db2.gz ZZFZGRYJNZCXOI-SFHVURJKSA-N 1 2 413.522 2.281 20 0 HEADLO C[N@H+]1CCN(C(=O)c2cc(Cc3ccccc3)n[nH]2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000786303100 1080545691 /nfs/dbraw/zinc/54/56/91/1080545691.db2.gz ZZFZGRYJNZCXOI-SFHVURJKSA-N 1 2 413.522 2.281 20 0 HEADLO Cc1[nH]nc(C(C)C)c1C(=O)OCC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000786345935 1080553132 /nfs/dbraw/zinc/55/31/32/1080553132.db2.gz ZWCLTEWYERRNRI-UHFFFAOYSA-N 1 2 400.479 2.469 20 0 HEADLO Cc1n[nH]c(C(C)C)c1C(=O)OCC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000786345935 1080553141 /nfs/dbraw/zinc/55/31/41/1080553141.db2.gz ZWCLTEWYERRNRI-UHFFFAOYSA-N 1 2 400.479 2.469 20 0 HEADLO C[C@@H]1CN(c2ccc(NC(=O)C(=O)N(C)CCCn3cc[nH+]c3)cc2F)C[C@H](C)O1 ZINC000768740025 1080764474 /nfs/dbraw/zinc/76/44/74/1080764474.db2.gz NEIWYNMSWCZGDV-IYBDPMFKSA-N 1 2 417.485 2.123 20 0 HEADLO CN(CC[N@H+](C)CC(=O)N1CCN(Cc2cccs2)CC1)C(=O)OC(C)(C)C ZINC000768758273 1080776930 /nfs/dbraw/zinc/77/69/30/1080776930.db2.gz MEFUVWRKQMIBSO-UHFFFAOYSA-N 1 2 410.584 2.191 20 0 HEADLO CN(CC[N@@H+](C)CC(=O)N1CCN(Cc2cccs2)CC1)C(=O)OC(C)(C)C ZINC000768758273 1080776937 /nfs/dbraw/zinc/77/69/37/1080776937.db2.gz MEFUVWRKQMIBSO-UHFFFAOYSA-N 1 2 410.584 2.191 20 0 HEADLO CCOC(CCNC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1)OCC ZINC000786772117 1080813482 /nfs/dbraw/zinc/81/34/82/1080813482.db2.gz JFUASVXNCLBPHB-FUHWJXTLSA-N 1 2 411.930 2.107 20 0 HEADLO CCOC(CCNC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1)OCC ZINC000786772117 1080813484 /nfs/dbraw/zinc/81/34/84/1080813484.db2.gz JFUASVXNCLBPHB-FUHWJXTLSA-N 1 2 411.930 2.107 20 0 HEADLO O=C(C[C@H]1C(=O)Nc2ccccc21)OCC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000746609821 1080828375 /nfs/dbraw/zinc/82/83/75/1080828375.db2.gz KCRVZJNXJSJUPC-QGZVFWFLSA-N 1 2 413.499 2.062 20 0 HEADLO COC(=O)[C@@H]1CCN(c2nc(N3CC[C@H](C(=O)OC)[C@@H]3C)c(C3CC3)c[nH+]2)[C@H]1C ZINC000786811798 1080839480 /nfs/dbraw/zinc/83/94/80/1080839480.db2.gz DRHSNBXWXGTUAQ-DARAHFNDSA-N 1 2 402.495 2.130 20 0 HEADLO O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)OCc1ncc(-c2cccs2)o1 ZINC000786994579 1080903955 /nfs/dbraw/zinc/90/39/55/1080903955.db2.gz DIKXWCFLTNJHHR-OAHLLOKOSA-N 1 2 419.503 2.160 20 0 HEADLO O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)OC[C@H]1CCc2ccccc2C1 ZINC000787000147 1080913210 /nfs/dbraw/zinc/91/32/10/1080913210.db2.gz VVAQORUNQKMXMM-RXVVDRJESA-N 1 2 400.519 2.048 20 0 HEADLO CCOc1nccc(C)c1C(=O)OCC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000769069404 1080924028 /nfs/dbraw/zinc/92/40/28/1080924028.db2.gz TXAFJSAJHVKHCM-UHFFFAOYSA-N 1 2 403.504 2.351 20 0 HEADLO O=C(NCCS(=O)(=O)CC1CC1)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000769142189 1080957626 /nfs/dbraw/zinc/95/76/26/1080957626.db2.gz ATBBWLCDRWFFLS-RBUKOAKNSA-N 1 2 402.520 2.236 20 0 HEADLO CC(C)(C)OC(=O)N1CC[C@H](c2cc(C(=O)N3CC[NH+](CC4CC4)CC3)[nH]n2)C1 ZINC000787087525 1080991601 /nfs/dbraw/zinc/99/16/01/1080991601.db2.gz QESIHFGSIBWLOS-INIZCTEOSA-N 1 2 403.527 2.302 20 0 HEADLO C[C@@H](NC(=O)C[NH+]1CCC(NC(=O)OC(C)(C)C)CC1)C(=O)Nc1ccccc1 ZINC000769200000 1081000241 /nfs/dbraw/zinc/00/02/41/1081000241.db2.gz KXNLPZAAVSHNDY-OAHLLOKOSA-N 1 2 404.511 2.119 20 0 HEADLO CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC000769203582 1081001341 /nfs/dbraw/zinc/00/13/41/1081001341.db2.gz COWSDYRMYDNTSM-SFHVURJKSA-N 1 2 424.586 2.083 20 0 HEADLO CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC000769203582 1081001350 /nfs/dbraw/zinc/00/13/50/1081001350.db2.gz COWSDYRMYDNTSM-SFHVURJKSA-N 1 2 424.586 2.083 20 0 HEADLO CC(C)(C)OC(=O)N[C@H](C(=O)N1CCC[N@H+](CC(=O)N2CCCC2)CC1)C(C)(C)C ZINC000769207372 1081003068 /nfs/dbraw/zinc/00/30/68/1081003068.db2.gz RYIGKDGTCRQOOZ-GOSISDBHSA-N 1 2 424.586 2.083 20 0 HEADLO CC(C)(C)OC(=O)N[C@H](C(=O)N1CCC[N@@H+](CC(=O)N2CCCC2)CC1)C(C)(C)C ZINC000769207372 1081003075 /nfs/dbraw/zinc/00/30/75/1081003075.db2.gz RYIGKDGTCRQOOZ-GOSISDBHSA-N 1 2 424.586 2.083 20 0 HEADLO CC(=O)N(C)c1cccc(NC(=O)N2CC[N@H+](C)C[C@H]2CNC(=O)OC(C)(C)C)c1 ZINC000769236014 1081011638 /nfs/dbraw/zinc/01/16/38/1081011638.db2.gz AASYRMCTDLFTSU-GOSISDBHSA-N 1 2 419.526 2.342 20 0 HEADLO CC(=O)N(C)c1cccc(NC(=O)N2CC[N@@H+](C)C[C@H]2CNC(=O)OC(C)(C)C)c1 ZINC000769236014 1081011645 /nfs/dbraw/zinc/01/16/45/1081011645.db2.gz AASYRMCTDLFTSU-GOSISDBHSA-N 1 2 419.526 2.342 20 0 HEADLO C[C@@H]1C[N@H+](CCNC(=O)N2CCC(CNC(=O)OCc3ccccc3)CC2)CCO1 ZINC000787136466 1081022330 /nfs/dbraw/zinc/02/23/30/1081022330.db2.gz DFMJTVADKYJAKW-GOSISDBHSA-N 1 2 418.538 2.055 20 0 HEADLO C[C@@H]1C[N@@H+](CCNC(=O)N2CCC(CNC(=O)OCc3ccccc3)CC2)CCO1 ZINC000787136466 1081022339 /nfs/dbraw/zinc/02/23/39/1081022339.db2.gz DFMJTVADKYJAKW-GOSISDBHSA-N 1 2 418.538 2.055 20 0 HEADLO CN(CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1)Cc1c(Br)cnn1C ZINC000787149474 1081030696 /nfs/dbraw/zinc/03/06/96/1081030696.db2.gz JIGUMGFRLHZPFF-UHFFFAOYSA-N 1 2 416.364 2.167 20 0 HEADLO CC(C)(C)OC(=O)NC1CC[NH+](CC(=O)NC[C@@H](O)c2c(F)cccc2F)CC1 ZINC000769299742 1081034715 /nfs/dbraw/zinc/03/47/15/1081034715.db2.gz GNTUATCBBGSNLJ-MRXNPFEDSA-N 1 2 413.465 2.104 20 0 HEADLO C[NH+](C)[C@@H](CNC(=O)CS[C@H]1CCS(=O)(=O)C1)c1cccc(C(F)(F)F)c1 ZINC000769399721 1081062532 /nfs/dbraw/zinc/06/25/32/1081062532.db2.gz RLWRTPUEDPTXMA-GJZGRUSLSA-N 1 2 424.510 2.345 20 0 HEADLO COC(=O)c1cccc(NC(=O)C[NH+]2CCC([C@@H](O)c3ccc(F)cc3)CC2)n1 ZINC000787245111 1081069045 /nfs/dbraw/zinc/06/90/45/1081069045.db2.gz KDOSJSLOJSZOOS-FQEVSTJZSA-N 1 2 401.438 2.391 20 0 HEADLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)C(=O)NCc2ccc(OC3CCCC3)nc2)C1 ZINC000787257647 1081073998 /nfs/dbraw/zinc/07/39/98/1081073998.db2.gz MAVNZVAVWYJDES-KRWDZBQOSA-N 1 2 411.506 2.159 20 0 HEADLO CCOc1cc(C[N@@H+]2CCN3C(=O)OC[C@@H]3C2)ccc1OCC(=O)N1CCCCC1 ZINC000769483848 1081078963 /nfs/dbraw/zinc/07/89/63/1081078963.db2.gz OYIRBBDGXVKCGC-SFHVURJKSA-N 1 2 417.506 2.113 20 0 HEADLO CCOc1cc(C[N@H+]2CCN3C(=O)OC[C@@H]3C2)ccc1OCC(=O)N1CCCCC1 ZINC000769483848 1081078969 /nfs/dbraw/zinc/07/89/69/1081078969.db2.gz OYIRBBDGXVKCGC-SFHVURJKSA-N 1 2 417.506 2.113 20 0 HEADLO COc1cc(CNC(=O)C(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)ccc1OC(C)C ZINC000787237477 1081084333 /nfs/dbraw/zinc/08/43/33/1081084333.db2.gz LBNLIIPRWBVIOK-WMZOPIPTSA-N 1 2 414.506 2.405 20 0 HEADLO CC(=O)Nc1ccccc1CC(=O)OCC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000769463332 1081088341 /nfs/dbraw/zinc/08/83/41/1081088341.db2.gz SMCWUBLIMBPAAJ-UHFFFAOYSA-N 1 2 415.515 2.137 20 0 HEADLO C[S@@](=O)CC[NH+]1CCN(Cc2cc(Br)c3c(c2)OCCCO3)CC1 ZINC000769478669 1081093760 /nfs/dbraw/zinc/09/37/60/1081093760.db2.gz FCSYWXGQRYAJFT-XMMPIXPASA-N 1 2 417.369 2.107 20 0 HEADLO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[N@@H+]1CC[C@H](C2CCOCC2)C1 ZINC000769518792 1081105478 /nfs/dbraw/zinc/10/54/78/1081105478.db2.gz DETTXEXQKLWHDE-JKSUJKDBSA-N 1 2 401.960 2.453 20 0 HEADLO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[N@H+]1CC[C@H](C2CCOCC2)C1 ZINC000769518792 1081105480 /nfs/dbraw/zinc/10/54/80/1081105480.db2.gz DETTXEXQKLWHDE-JKSUJKDBSA-N 1 2 401.960 2.453 20 0 HEADLO CN(C)C(=O)COc1ccc(C(F)(F)C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000769564200 1081127228 /nfs/dbraw/zinc/12/72/28/1081127228.db2.gz CHMWDKSPDHMFBY-UHFFFAOYSA-N 1 2 406.433 2.375 20 0 HEADLO COCCN1CC[N@H+](C)C2(CCN(c3nccc(-c4ccc(F)cc4)n3)CC2)C1=O ZINC001164633904 719273683 /nfs/dbraw/zinc/27/36/83/719273683.db2.gz JOIPIEUTBCVENV-UHFFFAOYSA-N 1 2 413.497 2.042 20 0 HEADLO COCCN1CC[N@@H+](C)C2(CCN(c3nccc(-c4ccc(F)cc4)n3)CC2)C1=O ZINC001164633904 719273684 /nfs/dbraw/zinc/27/36/84/719273684.db2.gz JOIPIEUTBCVENV-UHFFFAOYSA-N 1 2 413.497 2.042 20 0 HEADLO COCCN1CC[N@H+](C)C2(CCN(c3cccc(OCc4ccccc4)n3)CC2)C1=O ZINC001164641179 719278260 /nfs/dbraw/zinc/27/82/60/719278260.db2.gz SWRWQAFHPJICTA-UHFFFAOYSA-N 1 2 424.545 2.420 20 0 HEADLO COCCN1CC[N@@H+](C)C2(CCN(c3cccc(OCc4ccccc4)n3)CC2)C1=O ZINC001164641179 719278262 /nfs/dbraw/zinc/27/82/62/719278262.db2.gz SWRWQAFHPJICTA-UHFFFAOYSA-N 1 2 424.545 2.420 20 0 HEADLO COCCN1CC[N@H+](C)C2(CCN(c3ncccc3OCc3ccccc3)CC2)C1=O ZINC001164642010 719279533 /nfs/dbraw/zinc/27/95/33/719279533.db2.gz VXKNBEWYHCYJTO-UHFFFAOYSA-N 1 2 424.545 2.420 20 0 HEADLO COCCN1CC[N@@H+](C)C2(CCN(c3ncccc3OCc3ccccc3)CC2)C1=O ZINC001164642010 719279539 /nfs/dbraw/zinc/27/95/39/719279539.db2.gz VXKNBEWYHCYJTO-UHFFFAOYSA-N 1 2 424.545 2.420 20 0 HEADLO COCCN1CC[N@H+](C)C2(CCN(c3c(C)nc(C4CC4)nc3Cl)CC2)C1=O ZINC001164644675 719281624 /nfs/dbraw/zinc/28/16/24/719281624.db2.gz PUSHTRXICBEDCE-UHFFFAOYSA-N 1 2 407.946 2.075 20 0 HEADLO COCCN1CC[N@@H+](C)C2(CCN(c3c(C)nc(C4CC4)nc3Cl)CC2)C1=O ZINC001164644675 719281627 /nfs/dbraw/zinc/28/16/27/719281627.db2.gz PUSHTRXICBEDCE-UHFFFAOYSA-N 1 2 407.946 2.075 20 0 HEADLO CCc1ccc(-c2ccc(N3CCC4(CC3)C(=O)N(CCOC)CC[N@H+]4C)nn2)cc1 ZINC001164644467 719281977 /nfs/dbraw/zinc/28/19/77/719281977.db2.gz KQPLOIUDMDXFOH-UHFFFAOYSA-N 1 2 423.561 2.465 20 0 HEADLO CCc1ccc(-c2ccc(N3CCC4(CC3)C(=O)N(CCOC)CC[N@@H+]4C)nn2)cc1 ZINC001164644467 719281980 /nfs/dbraw/zinc/28/19/80/719281980.db2.gz KQPLOIUDMDXFOH-UHFFFAOYSA-N 1 2 423.561 2.465 20 0 HEADLO NC(=O)c1ccc(C(F)(F)N2CCc3onc(Cn4cc[nH+]c4)c3C2)nc1Cl ZINC001164678354 719563679 /nfs/dbraw/zinc/56/36/79/719563679.db2.gz XVWYIVXMKQXSIK-UHFFFAOYSA-N 1 2 408.796 2.174 20 0 HEADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(SC)ncc1Cl ZINC001164703334 719844349 /nfs/dbraw/zinc/84/43/49/719844349.db2.gz QNXKJDJUDHKYSP-YVEFUNNKSA-N 1 2 400.932 2.085 20 0 HEADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(Cl)nc2c1COC2(C)C ZINC001164706504 719847995 /nfs/dbraw/zinc/84/79/95/719847995.db2.gz XMINDKFUWBAXHD-ZUOKHONESA-N 1 2 424.929 2.128 20 0 HEADLO CCCN(CCC)c1cc(N2CC[C@H]([NH+]3CCOCC3)C[C@]2(C)C(=O)OC)ncn1 ZINC001164704650 719861908 /nfs/dbraw/zinc/86/19/08/719861908.db2.gz SDCCGVMEDSCWLX-PGRDOPGGSA-N 1 2 419.570 2.336 20 0 HEADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc(-c2cccs2)ncn1 ZINC001164707450 719870873 /nfs/dbraw/zinc/87/08/73/719870873.db2.gz SRYCEAATVLNVPO-YWZLYKJASA-N 1 2 402.520 2.438 20 0 HEADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc(C)nc(-c2ccco2)n1 ZINC001164707376 719872327 /nfs/dbraw/zinc/87/23/27/719872327.db2.gz RXCLPPLSTVKNMI-IERDGZPVSA-N 1 2 400.479 2.278 20 0 HEADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cnc(Cl)c(F)c3)C2)C1 ZINC001164719709 720244098 /nfs/dbraw/zinc/24/40/98/720244098.db2.gz OCGNKVNQDCFUNW-QGZVFWFLSA-N 1 2 420.863 2.084 20 0 HEADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cnc(Cl)c(F)c3)C2)C1 ZINC001164719709 720244103 /nfs/dbraw/zinc/24/41/03/720244103.db2.gz OCGNKVNQDCFUNW-QGZVFWFLSA-N 1 2 420.863 2.084 20 0 HEADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)c3ccc(C)c(Cl)n3)C2)C1 ZINC001164720015 720255436 /nfs/dbraw/zinc/25/54/36/720255436.db2.gz QLCJOLMXULPBRM-GOSISDBHSA-N 1 2 416.900 2.253 20 0 HEADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)c3ccc(C)c(Cl)n3)C2)C1 ZINC001164720015 720255442 /nfs/dbraw/zinc/25/54/42/720255442.db2.gz QLCJOLMXULPBRM-GOSISDBHSA-N 1 2 416.900 2.253 20 0 HEADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4cncnc4Cl)CC3)C2=O)cs1 ZINC001164824802 720361233 /nfs/dbraw/zinc/36/12/33/720361233.db2.gz MFHXVOIKDYUSPP-UHFFFAOYSA-N 1 2 406.943 2.208 20 0 HEADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4cncnc4Cl)CC3)C2=O)cs1 ZINC001164824802 720361238 /nfs/dbraw/zinc/36/12/38/720361238.db2.gz MFHXVOIKDYUSPP-UHFFFAOYSA-N 1 2 406.943 2.208 20 0 HEADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nccc(C(F)F)n4)CC3)C2=O)cs1 ZINC001164819680 720377771 /nfs/dbraw/zinc/37/77/71/720377771.db2.gz FQKTYWNVTWUHDE-UHFFFAOYSA-N 1 2 422.505 2.492 20 0 HEADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nccc(C(F)F)n4)CC3)C2=O)cs1 ZINC001164819680 720377778 /nfs/dbraw/zinc/37/77/78/720377778.db2.gz FQKTYWNVTWUHDE-UHFFFAOYSA-N 1 2 422.505 2.492 20 0 HEADLO O=c1cc(Cn2cc[nH+]c2)nc2n1CCCN(C(F)(F)c1ccc(Cl)nc1)C2 ZINC001164855161 720894865 /nfs/dbraw/zinc/89/48/65/720894865.db2.gz AQRRNOQWSRUSBI-UHFFFAOYSA-N 1 2 406.824 2.492 20 0 HEADLO Cc1cc(Cl)nc(C(F)(F)N2CCCn3c(=O)cc(Cn4cc[nH+]c4)nc3C2)n1 ZINC001164861361 720895210 /nfs/dbraw/zinc/89/52/10/720895210.db2.gz XPEADHMWKKCSMP-UHFFFAOYSA-N 1 2 421.839 2.195 20 0 HEADLO COC(=O)c1ccc2nc(N3CCCn4c(C[N@H+](C)C(C)C)nnc4C3)ncc2c1 ZINC001165008895 721698380 /nfs/dbraw/zinc/69/83/80/721698380.db2.gz LQLARGKOULZAHO-UHFFFAOYSA-N 1 2 409.494 2.258 20 0 HEADLO COC(=O)c1ccc2nc(N3CCCn4c(C[N@@H+](C)C(C)C)nnc4C3)ncc2c1 ZINC001165008895 721698386 /nfs/dbraw/zinc/69/83/86/721698386.db2.gz LQLARGKOULZAHO-UHFFFAOYSA-N 1 2 409.494 2.258 20 0 HEADLO CCc1ncnc(Cl)c1N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164911611 721772168 /nfs/dbraw/zinc/77/21/68/721772168.db2.gz HTKZFAURWRBZGC-FQEVSTJZSA-N 1 2 403.914 2.195 20 0 HEADLO CCc1ncnc(Cl)c1N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164911611 721772170 /nfs/dbraw/zinc/77/21/70/721772170.db2.gz HTKZFAURWRBZGC-FQEVSTJZSA-N 1 2 403.914 2.195 20 0 HEADLO CC(C)COc1nccnc1N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164915735 721798527 /nfs/dbraw/zinc/79/85/27/721798527.db2.gz ZBQPHZNGPJIUHY-QFIPXVFZSA-N 1 2 413.522 2.014 20 0 HEADLO CC(C)COc1nccnc1N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164915735 721798532 /nfs/dbraw/zinc/79/85/32/721798532.db2.gz ZBQPHZNGPJIUHY-QFIPXVFZSA-N 1 2 413.522 2.014 20 0 HEADLO Cc1noc(-c2ccc(N3CCC4(CC3)C(=O)NCC[N@H+]4Cc3ccccc3)nc2)n1 ZINC001164950016 721978765 /nfs/dbraw/zinc/97/87/65/721978765.db2.gz SEJZATSZALYHOM-UHFFFAOYSA-N 1 2 418.501 2.411 20 0 HEADLO Cc1noc(-c2ccc(N3CCC4(CC3)C(=O)NCC[N@@H+]4Cc3ccccc3)nc2)n1 ZINC001164950016 721978770 /nfs/dbraw/zinc/97/87/70/721978770.db2.gz SEJZATSZALYHOM-UHFFFAOYSA-N 1 2 418.501 2.411 20 0 HEADLO CCOC(=O)Cc1ccnc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)c1 ZINC001164950435 721981490 /nfs/dbraw/zinc/98/14/90/721981490.db2.gz UGUBLKCNRRKVCW-UHFFFAOYSA-N 1 2 422.529 2.158 20 0 HEADLO CCOC(=O)Cc1ccnc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)c1 ZINC001164950435 721981493 /nfs/dbraw/zinc/98/14/93/721981493.db2.gz UGUBLKCNRRKVCW-UHFFFAOYSA-N 1 2 422.529 2.158 20 0 HEADLO COc1ccc2cnc(N3CCc4ncnc(N5CC[NH+](C)CC5)c4CC3)cc2c1 ZINC001164996798 722235973 /nfs/dbraw/zinc/23/59/73/722235973.db2.gz JFISBYFEYRXYRO-UHFFFAOYSA-N 1 2 404.518 2.390 20 0 HEADLO CCOc1ccccc1NC(=O)CON=C(N)c1cccc(C[NH+]2CCOCC2)c1 ZINC000745448358 1078486747 /nfs/dbraw/zinc/48/67/47/1078486747.db2.gz OBCFHKFYSNLIHW-UHFFFAOYSA-N 1 2 412.490 2.403 20 0 HEADLO Cn1cc([C@H](O)CNC(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)cn1 ZINC000745488527 1078497996 /nfs/dbraw/zinc/49/79/96/1078497996.db2.gz VGBGUZXPOAGDHY-DLBZAZTESA-N 1 2 409.893 2.382 20 0 HEADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)N1CCC(CCN(C)C(=O)OC(C)(C)C)CC1 ZINC000769722668 1078536120 /nfs/dbraw/zinc/53/61/20/1078536120.db2.gz RDMWTWHXQPUBGC-QGZVFWFLSA-N 1 2 412.575 2.386 20 0 HEADLO C[C@@H]1COCC[N@H+]1CCNC(=O)N1CCC(CCN(C)C(=O)OC(C)(C)C)CC1 ZINC000769722668 1078536128 /nfs/dbraw/zinc/53/61/28/1078536128.db2.gz RDMWTWHXQPUBGC-QGZVFWFLSA-N 1 2 412.575 2.386 20 0 HEADLO COc1ccc(CCN2C(=O)C(=O)N(C[N@H+](C)Cc3cccc(N(C)C)c3)C2=O)cc1 ZINC000769854642 1078575672 /nfs/dbraw/zinc/57/56/72/1078575672.db2.gz VAGJNVYDXSERED-UHFFFAOYSA-N 1 2 424.501 2.184 20 0 HEADLO COc1ccc(CCN2C(=O)C(=O)N(C[N@@H+](C)Cc3cccc(N(C)C)c3)C2=O)cc1 ZINC000769854642 1078575680 /nfs/dbraw/zinc/57/56/80/1078575680.db2.gz VAGJNVYDXSERED-UHFFFAOYSA-N 1 2 424.501 2.184 20 0 HEADLO COC(=O)c1cccc(N2CC[NH+](Cc3ccc(OC)c(OC)c3OC)CC2)n1 ZINC000769835158 1078597198 /nfs/dbraw/zinc/59/71/98/1078597198.db2.gz VKGOZXFAFQYVAY-UHFFFAOYSA-N 1 2 401.463 2.216 20 0 HEADLO CN(C)c1[nH+]cc(CNC(=O)c2cc(NC(=O)OCC(F)(F)F)ccc2O)n1C ZINC000769838306 1078599911 /nfs/dbraw/zinc/59/99/11/1078599911.db2.gz HPLSUDPJQJCVTI-UHFFFAOYSA-N 1 2 415.372 2.233 20 0 HEADLO Cc1cc(N2CCN(C(=O)COC(=O)CC[C@H]3CC[C@H](C)O3)CC2)nc(C(C)C)[nH+]1 ZINC000745713552 1078603625 /nfs/dbraw/zinc/60/36/25/1078603625.db2.gz UHELMOVGCXSIPO-ZWKOTPCHSA-N 1 2 418.538 2.448 20 0 HEADLO Cc1ccc([C@@H](C)[C@@H](O)C(=O)OCC(=O)N2CC[NH+](Cc3ccsc3)CC2)cc1 ZINC000745754416 1078625573 /nfs/dbraw/zinc/62/55/73/1078625573.db2.gz FJVFDDVIHIWGRP-DYESRHJHSA-N 1 2 416.543 2.409 20 0 HEADLO Cc1ccc([C@H](C)[C@@H](O)C(=O)OCC(=O)N2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000745746962 1078634105 /nfs/dbraw/zinc/63/41/05/1078634105.db2.gz DEBPQRUVUDETGJ-LAUBAEHRSA-N 1 2 416.543 2.409 20 0 HEADLO CC(C)(C)OC(=O)N1CCCC[C@H]1CNC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000745783485 1078641442 /nfs/dbraw/zinc/64/14/42/1078641442.db2.gz SZJURSFPCFFFMR-ZWKOTPCHSA-N 1 2 410.559 2.282 20 0 HEADLO CS(=O)(=O)CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1C[C@H]1Cc1ccccc1)C2 ZINC001109544884 1078642815 /nfs/dbraw/zinc/64/28/15/1078642815.db2.gz RFIQLFGAODBPCL-TXVWBRJLSA-N 1 2 404.576 2.412 20 0 HEADLO CS(=O)(=O)CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1C[C@H]1Cc1ccccc1)C2 ZINC001109544884 1078642818 /nfs/dbraw/zinc/64/28/18/1078642818.db2.gz RFIQLFGAODBPCL-TXVWBRJLSA-N 1 2 404.576 2.412 20 0 HEADLO Cc1cc([C@](C)(O)CNC(=O)N[C@@H](Cc2ccccc2)C[NH+]2CCOCC2)c(C)o1 ZINC000745816356 1078658806 /nfs/dbraw/zinc/65/88/06/1078658806.db2.gz XQESSXYBPDLMFR-NZQKXSOJSA-N 1 2 415.534 2.347 20 0 HEADLO CN(C)S(=O)(=O)c1ccc(F)c(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)c1 ZINC000745867635 1078667441 /nfs/dbraw/zinc/66/74/41/1078667441.db2.gz BENKLKBCCTWOHU-UHFFFAOYSA-N 1 2 420.441 2.331 20 0 HEADLO CN(C)c1ccc([NH+]2CCC(NC(=O)N3CCN(c4cccnn4)CC3)CC2)cc1 ZINC000745868100 1078668110 /nfs/dbraw/zinc/66/81/10/1078668110.db2.gz KPONSFSWUDYBLA-UHFFFAOYSA-N 1 2 409.538 2.043 20 0 HEADLO O=C(Cn1cc[nH+]c1)NCCN1C(=O)S/C(=C\c2ccc(OC(F)F)cc2)C1=O ZINC000746112985 1078793175 /nfs/dbraw/zinc/79/31/75/1078793175.db2.gz DGLQDQZJRIQGDH-ZROIWOOFSA-N 1 2 422.413 2.337 20 0 HEADLO Cc1cccc(NC(=O)c2ccccc2NC(=O)C[N@@H+](C)CCNC(=O)N(C)C)c1 ZINC000770265752 1078798079 /nfs/dbraw/zinc/79/80/79/1078798079.db2.gz SFZQQMADUZAHNE-UHFFFAOYSA-N 1 2 411.506 2.389 20 0 HEADLO Cc1cccc(NC(=O)c2ccccc2NC(=O)C[N@H+](C)CCNC(=O)N(C)C)c1 ZINC000770265752 1078798082 /nfs/dbraw/zinc/79/80/82/1078798082.db2.gz SFZQQMADUZAHNE-UHFFFAOYSA-N 1 2 411.506 2.389 20 0 HEADLO C[C@H](NC(=O)N1CCC[C@H](c2[nH+]ccn2C)C1)c1cccc(NS(C)(=O)=O)c1 ZINC000770278388 1078805088 /nfs/dbraw/zinc/80/50/88/1078805088.db2.gz DQKZFGOWLJSCDT-HOCLYGCPSA-N 1 2 405.524 2.442 20 0 HEADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)NCC[S@@](=O)Cc1ccccc1 ZINC000770276770 1078803519 /nfs/dbraw/zinc/80/35/19/1078803519.db2.gz UGBWTZCLFPGQPC-MUUNZHRXSA-N 1 2 402.520 2.297 20 0 HEADLO Cc1ccc([C@H](O)CNC(=O)NCc2cccc(OCC[NH+]3CCOCC3)c2)cc1 ZINC000770348389 1078838050 /nfs/dbraw/zinc/83/80/50/1078838050.db2.gz YDDNPEHQXICBCJ-JOCHJYFZSA-N 1 2 413.518 2.239 20 0 HEADLO CC[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)[C@@H](CC)CN1C(=O)OCc1ccccc1 ZINC000746291387 1078851724 /nfs/dbraw/zinc/85/17/24/1078851724.db2.gz HUROTMPRBINDGI-XUVXKRRUSA-N 1 2 403.523 2.355 20 0 HEADLO CC[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)[C@@H](CC)CN1C(=O)OCc1ccccc1 ZINC000746291387 1078851726 /nfs/dbraw/zinc/85/17/26/1078851726.db2.gz HUROTMPRBINDGI-XUVXKRRUSA-N 1 2 403.523 2.355 20 0 HEADLO CCOc1cc(C(=O)N2CCC([N@H+](C)CC(F)F)CC2)ccc1OCC(=O)OC ZINC000746321033 1078857727 /nfs/dbraw/zinc/85/77/27/1078857727.db2.gz ZRMSRKPLKJKXPH-UHFFFAOYSA-N 1 2 414.449 2.439 20 0 HEADLO CCOc1cc(C(=O)N2CCC([N@@H+](C)CC(F)F)CC2)ccc1OCC(=O)OC ZINC000746321033 1078857730 /nfs/dbraw/zinc/85/77/30/1078857730.db2.gz ZRMSRKPLKJKXPH-UHFFFAOYSA-N 1 2 414.449 2.439 20 0 HEADLO CNC(=O)CC1CC[NH+](CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)CC1 ZINC000746385149 1078887968 /nfs/dbraw/zinc/88/79/68/1078887968.db2.gz SIDHPNNEHOVZOJ-UHFFFAOYSA-N 1 2 420.513 2.288 20 0 HEADLO Cn1cc(C[C@H]2CC(=O)N(C[N@H+](C)CCc3ccc(Br)cc3)C2=O)cn1 ZINC000746378826 1078883861 /nfs/dbraw/zinc/88/38/61/1078883861.db2.gz XABKRJWTXJGPAB-INIZCTEOSA-N 1 2 419.323 2.232 20 0 HEADLO Cn1cc(C[C@H]2CC(=O)N(C[N@@H+](C)CCc3ccc(Br)cc3)C2=O)cn1 ZINC000746378826 1078883863 /nfs/dbraw/zinc/88/38/63/1078883863.db2.gz XABKRJWTXJGPAB-INIZCTEOSA-N 1 2 419.323 2.232 20 0 HEADLO COC(=O)CN(CC[NH+]1CCOCC1)Cn1nc(-c2sccc2C)oc1=S ZINC000746379227 1078885020 /nfs/dbraw/zinc/88/50/20/1078885020.db2.gz CMGABCSGKDSENC-UHFFFAOYSA-N 1 2 412.537 2.007 20 0 HEADLO COc1ncc(C(=O)N(CCn2cc[nH+]c2)Cc2ccc(Br)o2)cn1 ZINC000804268923 1078920718 /nfs/dbraw/zinc/92/07/18/1078920718.db2.gz NCHMBJMXTWFHGD-UHFFFAOYSA-N 1 2 406.240 2.380 20 0 HEADLO CCS(=O)(=O)c1ccc(F)c(C(=O)Nc2ccc(N3CCOCC3)[nH+]c2C)c1 ZINC000770664692 1078924920 /nfs/dbraw/zinc/92/49/20/1078924920.db2.gz KJSSLAFXZSEEIO-UHFFFAOYSA-N 1 2 407.467 2.412 20 0 HEADLO CC(C)(C)n1ncc2c1nc[nH+]c2N1CCO[C@H](CN2C(=O)c3ccccc3C2=O)C1 ZINC000766425618 1078978866 /nfs/dbraw/zinc/97/88/66/1078978866.db2.gz WBHWHADHZFWKFB-AWEZNQCLSA-N 1 2 420.473 2.083 20 0 HEADLO CC[N@H+](CC(=O)NN1C(=O)NC2(CCC(C)CC2)C1=O)[C@H](C)c1cccc(O)c1 ZINC000746454306 1078984199 /nfs/dbraw/zinc/98/41/99/1078984199.db2.gz UIZIYPPQLOXSPE-FAGJFJLWSA-N 1 2 402.495 2.307 20 0 HEADLO CC[N@@H+](CC(=O)NN1C(=O)NC2(CCC(C)CC2)C1=O)[C@H](C)c1cccc(O)c1 ZINC000746454306 1078984202 /nfs/dbraw/zinc/98/42/02/1078984202.db2.gz UIZIYPPQLOXSPE-FAGJFJLWSA-N 1 2 402.495 2.307 20 0 HEADLO C[S@](=O)CC[NH+]1CCN(CCC(=O)N[C@H](c2cccs2)c2ccccc2)CC1 ZINC000746470342 1079019937 /nfs/dbraw/zinc/01/99/37/1079019937.db2.gz WBKHWUWOAFENPA-KMRXNPHXSA-N 1 2 419.616 2.340 20 0 HEADLO COc1ccccc1Nc1nc(N)nc(CN2CCC([N@H+](C)CC(F)F)CC2)n1 ZINC000746481493 1079040140 /nfs/dbraw/zinc/04/01/40/1079040140.db2.gz JTFZNKGBDNAANL-UHFFFAOYSA-N 1 2 407.469 2.367 20 0 HEADLO COc1ccccc1Nc1nc(N)nc(CN2CCC([N@@H+](C)CC(F)F)CC2)n1 ZINC000746481493 1079040150 /nfs/dbraw/zinc/04/01/50/1079040150.db2.gz JTFZNKGBDNAANL-UHFFFAOYSA-N 1 2 407.469 2.367 20 0 HEADLO C[C@H](NC(=O)c1ccccc1NC(=O)C[NH+]1CCC(NC(N)=O)CC1)c1ccccc1 ZINC000746481427 1079040331 /nfs/dbraw/zinc/04/03/31/1079040331.db2.gz HVEGVVDCPBTYME-INIZCTEOSA-N 1 2 423.517 2.249 20 0 HEADLO CN(CC(F)F)C1CC[NH+](CC(=O)Nc2sc3c(c2C(N)=O)CCCC3)CC1 ZINC000746481586 1079040346 /nfs/dbraw/zinc/04/03/46/1079040346.db2.gz ISVLWFSMTHECBI-UHFFFAOYSA-N 1 2 414.522 2.326 20 0 HEADLO C[N@H+](CC(F)F)C1CCN(CC(=O)Nc2sc3c(c2C(N)=O)CCCC3)CC1 ZINC000746481586 1079040349 /nfs/dbraw/zinc/04/03/49/1079040349.db2.gz ISVLWFSMTHECBI-UHFFFAOYSA-N 1 2 414.522 2.326 20 0 HEADLO C[N@@H+](CC(F)F)C1CCN(CC(=O)Nc2sc3c(c2C(N)=O)CCCC3)CC1 ZINC000746481586 1079040353 /nfs/dbraw/zinc/04/03/53/1079040353.db2.gz ISVLWFSMTHECBI-UHFFFAOYSA-N 1 2 414.522 2.326 20 0 HEADLO O=C(C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[C@H]1c1cccnc1)C2)NCc1ccccc1 ZINC001109741409 1079041838 /nfs/dbraw/zinc/04/18/38/1079041838.db2.gz NVBYYGVHBCZRMK-TWGBQZSLSA-N 1 2 404.514 2.223 20 0 HEADLO O=C(C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[C@H]1c1cccnc1)C2)NCc1ccccc1 ZINC001109741409 1079041840 /nfs/dbraw/zinc/04/18/40/1079041840.db2.gz NVBYYGVHBCZRMK-TWGBQZSLSA-N 1 2 404.514 2.223 20 0 HEADLO COc1ccc(CN2CC[C@@H]([NH2+]Cc3nn(C)cc3Br)CC2=O)cc1 ZINC001168894164 1079063372 /nfs/dbraw/zinc/06/33/72/1079063372.db2.gz CFVRHBTWNGSDDO-CQSZACIVSA-N 1 2 407.312 2.472 20 0 HEADLO Cc1nn(CCS(C)(=O)=O)c(C)c1C[N@H+](C[C@H]1CCCO1)[C@@H]1CCSC1 ZINC001168884767 1079068359 /nfs/dbraw/zinc/06/83/59/1079068359.db2.gz FKCQXHNEMDDBOW-IAGOWNOFSA-N 1 2 401.598 2.031 20 0 HEADLO Cc1nn(CCS(C)(=O)=O)c(C)c1C[N@@H+](C[C@H]1CCCO1)[C@@H]1CCSC1 ZINC001168884767 1079068363 /nfs/dbraw/zinc/06/83/63/1079068363.db2.gz FKCQXHNEMDDBOW-IAGOWNOFSA-N 1 2 401.598 2.031 20 0 HEADLO Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)OCc2cccc3[nH+]ccn32)C1 ZINC000770922650 1079081182 /nfs/dbraw/zinc/08/11/82/1079081182.db2.gz OYAHSZKXDFPSNQ-OAHLLOKOSA-N 1 2 418.475 2.083 20 0 HEADLO C[C@H](C(=O)N1CCO[C@@H](C[NH+]2CCOCC2)C1)c1ccc(Br)s1 ZINC001169001766 1079096447 /nfs/dbraw/zinc/09/64/47/1079096447.db2.gz GVIYACNJIJLQCK-STQMWFEESA-N 1 2 403.342 2.174 20 0 HEADLO CCCCNC(=O)CCN1CC[NH+]([C@@H]2CCCN(Cc3ccccc3)C2=O)CC1 ZINC001169012950 1079099384 /nfs/dbraw/zinc/09/93/84/1079099384.db2.gz CBDFPGMGAOQALC-OAQYLSRUSA-N 1 2 400.567 2.102 20 0 HEADLO Cc1ccc(-n2nc(Br)cc2C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000771034109 1079110904 /nfs/dbraw/zinc/11/09/04/1079110904.db2.gz QXXNCPNCTHMJME-INIZCTEOSA-N 1 2 419.323 2.490 20 0 HEADLO C[C@H]1C[N@H+](C[C@H](O)c2cccc(Br)c2)CCN1c1nccn2cnnc12 ZINC000771120996 1079141898 /nfs/dbraw/zinc/14/18/98/1079141898.db2.gz NTAJGILFZOGMGR-BBRMVZONSA-N 1 2 417.311 2.131 20 0 HEADLO C[C@H]1C[N@@H+](C[C@H](O)c2cccc(Br)c2)CCN1c1nccn2cnnc12 ZINC000771120996 1079141908 /nfs/dbraw/zinc/14/19/08/1079141908.db2.gz NTAJGILFZOGMGR-BBRMVZONSA-N 1 2 417.311 2.131 20 0 HEADLO CCOC(=O)c1ccc2[nH]c(-c3ccnc(N[C@H]4C[NH2+][C@H](C(=O)OC)C4)n3)cc2c1 ZINC001169129380 1079149558 /nfs/dbraw/zinc/14/95/58/1079149558.db2.gz NEIGWWRAIJQSLL-KDOFPFPSSA-N 1 2 409.446 2.117 20 0 HEADLO CCOC(=O)Nc1c2cc(N[C@H]3C[NH2+][C@H](C(=O)OC)C3)ccc2oc1C(=O)OCC ZINC001169136256 1079153214 /nfs/dbraw/zinc/15/32/14/1079153214.db2.gz HRJDTBBDUCDNMS-OCCSQVGLSA-N 1 2 419.434 2.493 20 0 HEADLO CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC001169227593 1079204108 /nfs/dbraw/zinc/20/41/08/1079204108.db2.gz YIUHDKADXDBPAL-HXUWFJFHSA-N 1 2 410.543 2.224 20 0 HEADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)N(CCNC(=O)OC(C)(C)C)Cc1ccccc1 ZINC000766633020 1079207564 /nfs/dbraw/zinc/20/75/64/1079207564.db2.gz SFESDIXVSFHKAD-GOSISDBHSA-N 1 2 420.554 2.444 20 0 HEADLO C[C@@H]1COCC[N@H+]1CCNC(=O)N(CCNC(=O)OC(C)(C)C)Cc1ccccc1 ZINC000766633020 1079207573 /nfs/dbraw/zinc/20/75/73/1079207573.db2.gz SFESDIXVSFHKAD-GOSISDBHSA-N 1 2 420.554 2.444 20 0 HEADLO Cc1ccc(NC(=O)C(=O)N2CC=C(c3ccc4c(c3)OCCO4)CC2)c(N(C)C)[nH+]1 ZINC000771227459 1079217439 /nfs/dbraw/zinc/21/74/39/1079217439.db2.gz DIYIISOUJNDTPT-UHFFFAOYSA-N 1 2 422.485 2.482 20 0 HEADLO O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)NC1CCC(O)(c2cccnc2)CC1 ZINC000771288480 1079242022 /nfs/dbraw/zinc/24/20/22/1079242022.db2.gz RZYRTNPJYGAZAH-XERBYJISSA-N 1 2 424.545 2.412 20 0 HEADLO O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)NC1CCC(O)(c2cccnc2)CC1 ZINC000771288480 1079242025 /nfs/dbraw/zinc/24/20/25/1079242025.db2.gz RZYRTNPJYGAZAH-XERBYJISSA-N 1 2 424.545 2.412 20 0 HEADLO CCOC(=O)[C@@H]1CC[C@H]([N@H+](Cc2cnn(CC)c2)Cc2c(C)nn(C)c2C)CO1 ZINC001169391954 1079261523 /nfs/dbraw/zinc/26/15/23/1079261523.db2.gz MEERQPMQBPUQBO-ICSRJNTNSA-N 1 2 403.527 2.366 20 0 HEADLO CCOC(=O)[C@@H]1CC[C@H]([N@@H+](Cc2cnn(CC)c2)Cc2c(C)nn(C)c2C)CO1 ZINC001169391954 1079261530 /nfs/dbraw/zinc/26/15/30/1079261530.db2.gz MEERQPMQBPUQBO-ICSRJNTNSA-N 1 2 403.527 2.366 20 0 HEADLO COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)Nc2ccc3[nH+]c(C)cn3c2)C1=O ZINC000771317783 1079282853 /nfs/dbraw/zinc/28/28/53/1079282853.db2.gz FZWYUUZXHOOTRO-OAQYLSRUSA-N 1 2 407.430 2.057 20 0 HEADLO COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)C1=O ZINC000771394345 1079320799 /nfs/dbraw/zinc/32/07/99/1079320799.db2.gz DVHGFNQQGNMAJN-QFIPXVFZSA-N 1 2 419.441 2.491 20 0 HEADLO NC(=O)c1cc(Cl)nnc1N[C@H]1C[C@@H](C(=O)OCc2ccccc2)CCC[NH2+]1 ZINC001169524209 1079322730 /nfs/dbraw/zinc/32/27/30/1079322730.db2.gz WECPNYGNHQYDJV-BBRMVZONSA-N 1 2 403.870 2.100 20 0 HEADLO COC(=O)c1coc(=O)c(N[C@@H]2C[C@@H](C(=O)OCc3ccccc3)CCC[NH2+]2)c1 ZINC001169516754 1079327971 /nfs/dbraw/zinc/32/79/71/1079327971.db2.gz DYMYSEUBHRXRCC-MAUKXSAKSA-N 1 2 400.431 2.298 20 0 HEADLO O=C(CCc1nc(-c2cccn3ccnc23)no1)N1CCN(c2cccc[nH+]2)CC1 ZINC000771444367 1079347314 /nfs/dbraw/zinc/34/73/14/1079347314.db2.gz YKPPWQGSGWTARG-UHFFFAOYSA-N 1 2 403.446 2.061 20 0 HEADLO NS(=O)(=O)c1cc(Cl)cc(C[NH+]2CCC(c3nnc4n3CCCC4)CC2)c1 ZINC001169613429 1079352336 /nfs/dbraw/zinc/35/23/36/1079352336.db2.gz KFHJANJESLFYEO-UHFFFAOYSA-N 1 2 409.943 2.295 20 0 HEADLO COC(=O)c1cc(I)c(Cl)cc1NC[C@H]1COCC[N@@H+]1C ZINC001169653743 1079356538 /nfs/dbraw/zinc/35/65/38/1079356538.db2.gz KHSBTHMPAPMVOZ-VIFPVBQESA-N 1 2 424.666 2.474 20 0 HEADLO COC(=O)c1cc(I)c(Cl)cc1NC[C@H]1COCC[N@H+]1C ZINC001169653743 1079356545 /nfs/dbraw/zinc/35/65/45/1079356545.db2.gz KHSBTHMPAPMVOZ-VIFPVBQESA-N 1 2 424.666 2.474 20 0 HEADLO CCCS(=O)(=O)Nc1cccc(C(=O)N2CC[NH+](CCc3ccncc3)CC2)c1 ZINC001169666893 1079362070 /nfs/dbraw/zinc/36/20/70/1079362070.db2.gz SDDKZQOKEOGXQR-UHFFFAOYSA-N 1 2 416.547 2.234 20 0 HEADLO Cc1ccc(NC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)c(Br)n1 ZINC000771511582 1079367352 /nfs/dbraw/zinc/36/73/52/1079367352.db2.gz SUNZCJHSHSAYGY-MRXNPFEDSA-N 1 2 415.357 2.482 20 0 HEADLO CCCN(C(=O)c1ccccc1NC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)C(C)C ZINC000771541595 1079375481 /nfs/dbraw/zinc/37/54/81/1079375481.db2.gz GWZOUXLPHUHTTI-SFHVURJKSA-N 1 2 420.554 2.104 20 0 HEADLO CC(C)(C)OC(=O)N[C@]1(C(=O)N[C@@H]2CCc3c[nH+]cn3C2)[C@H]2CCCO[C@H]2C1(C)C ZINC000804334846 1079373937 /nfs/dbraw/zinc/37/39/37/1079373937.db2.gz KUOIDSCXVZWNLL-ZVSCYDMRSA-N 1 2 418.538 2.413 20 0 HEADLO CCOC(=O)N1CCC[C@@H]([NH2+][C@@H](CCCNC(=O)OC(C)(C)C)C(=O)OC)CC1 ZINC001169672376 1079377837 /nfs/dbraw/zinc/37/78/37/1079377837.db2.gz OOQFWGZQTUKFEJ-CVEARBPZSA-N 1 2 415.531 2.434 20 0 HEADLO CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H]2CCc3c[nH+]cn3C2)c1 ZINC000804335931 1079382216 /nfs/dbraw/zinc/38/22/16/1079382216.db2.gz GHEHGZKTRWQPGN-ZDUSSCGKSA-N 1 2 410.927 2.310 20 0 HEADLO CC(C)(C)OC(=O)N1[C@H](C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)C[C@@H]2CCCC[C@@H]21 ZINC000771560188 1079385544 /nfs/dbraw/zinc/38/55/44/1079385544.db2.gz NPMSBCMBFBYKCN-RDGPPVDQSA-N 1 2 407.555 2.488 20 0 HEADLO CC(C)(C)OC(=O)N1CCc2ccccc2[C@H]1C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000771563238 1079386087 /nfs/dbraw/zinc/38/60/87/1079386087.db2.gz VUPXWNOOZDKTDY-QUCCMNQESA-N 1 2 415.534 2.454 20 0 HEADLO CC(C)(C)OC(=O)N1CCc2ccccc2[C@@H]1C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000771563241 1079386258 /nfs/dbraw/zinc/38/62/58/1079386258.db2.gz VUPXWNOOZDKTDY-UYAOXDASSA-N 1 2 415.534 2.454 20 0 HEADLO CCCCCCN(CC[NH+]1CCOCC1)C(=O)c1cnc2sc(C)cn2c1=O ZINC000771620559 1079404563 /nfs/dbraw/zinc/40/45/63/1079404563.db2.gz SQBFYZAHUZHTIF-UHFFFAOYSA-N 1 2 406.552 2.419 20 0 HEADLO CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000771623233 1079405922 /nfs/dbraw/zinc/40/59/22/1079405922.db2.gz OYSHMYRDBJIGHF-QGZVFWFLSA-N 1 2 420.510 2.145 20 0 HEADLO CC(C)(C)OC(=O)N1CC[N@@H+]([C@H]2CCCN(C(=O)c3ccccc3)C2)C[C@@H]1CO ZINC001169773836 1079409750 /nfs/dbraw/zinc/40/97/50/1079409750.db2.gz ADIMHYASHOTWOC-RBUKOAKNSA-N 1 2 403.523 2.205 20 0 HEADLO CC(C)(C)OC(=O)N1CC[N@H+]([C@H]2CCCN(C(=O)c3ccccc3)C2)C[C@@H]1CO ZINC001169773836 1079409762 /nfs/dbraw/zinc/40/97/62/1079409762.db2.gz ADIMHYASHOTWOC-RBUKOAKNSA-N 1 2 403.523 2.205 20 0 HEADLO Cc1cccc(CO[C@H]2C[C@H]3C[N@@H+](C4CCC(S(C)(=O)=O)CC4)CCN3C2)n1 ZINC001169882535 1079456761 /nfs/dbraw/zinc/45/67/61/1079456761.db2.gz NWPKYELJUKGAKA-OMYXNUHHSA-N 1 2 407.580 2.021 20 0 HEADLO Cc1cccc(CO[C@H]2C[C@H]3C[N@H+](C4CCC(S(C)(=O)=O)CC4)CCN3C2)n1 ZINC001169882535 1079456764 /nfs/dbraw/zinc/45/67/64/1079456764.db2.gz NWPKYELJUKGAKA-OMYXNUHHSA-N 1 2 407.580 2.021 20 0 HEADLO O=C(C[NH+]1CCC(NC(=O)c2cnn(-c3ccc(F)cc3)n2)CC1)Nc1ccccc1 ZINC000737493506 1075910930 /nfs/dbraw/zinc/91/09/30/1075910930.db2.gz GZIVLBXBQWWWRF-UHFFFAOYSA-N 1 2 422.464 2.239 20 0 HEADLO O=C(/C=C/c1ccc(Cl)s1)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000737750993 1075922564 /nfs/dbraw/zinc/92/25/64/1075922564.db2.gz KCQKUGBWARXKKG-DUXPYHPUSA-N 1 2 419.938 2.390 20 0 HEADLO O=C(/C=C/c1ccc(Cl)s1)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000737750993 1075922576 /nfs/dbraw/zinc/92/25/76/1075922576.db2.gz KCQKUGBWARXKKG-DUXPYHPUSA-N 1 2 419.938 2.390 20 0 HEADLO Cc1[nH]c(-c2cccc(NC(=O)c3cc(C)c4c(n3)n(C)c(=O)n(C)c4=O)c2)[nH+]c1C ZINC000737806123 1075930507 /nfs/dbraw/zinc/93/05/07/1075930507.db2.gz HQRFFGJWFIKLQD-UHFFFAOYSA-N 1 2 418.457 2.200 20 0 HEADLO CC[C@]1(C(C)C)NC(=O)N(C[NH+]2CCC(C(=O)NCc3ccc(F)cc3)CC2)C1=O ZINC000738028137 1075954194 /nfs/dbraw/zinc/95/41/94/1075954194.db2.gz VOYFHRKLAFGTQG-JOCHJYFZSA-N 1 2 418.513 2.468 20 0 HEADLO CC(C)[C@@]1(C)NC(=O)N(C[NH+]2CCC(C(=O)NCCc3cccs3)CC2)C1=O ZINC000738031356 1075954768 /nfs/dbraw/zinc/95/47/68/1075954768.db2.gz WMYDLYSZNGACDG-HXUWFJFHSA-N 1 2 406.552 2.043 20 0 HEADLO CCCCCC[C@]1(C)NC(=O)N(C[NH+]2CCC(C(=O)Nc3nncs3)CC2)C1=O ZINC000738030236 1075954789 /nfs/dbraw/zinc/95/47/89/1075954789.db2.gz VGWNGMQRCQSYGX-IBGZPJMESA-N 1 2 422.555 2.427 20 0 HEADLO C[N@H+](C[C@H]1CCCO1)CN1C(=O)N[C@@](C)(c2ccc(F)cc2Br)C1=O ZINC000738067514 1075957092 /nfs/dbraw/zinc/95/70/92/1075957092.db2.gz YJQAOZLMPRLZSZ-PXAZEXFGSA-N 1 2 414.275 2.424 20 0 HEADLO C[N@@H+](C[C@H]1CCCO1)CN1C(=O)N[C@@](C)(c2ccc(F)cc2Br)C1=O ZINC000738067514 1075957096 /nfs/dbraw/zinc/95/70/96/1075957096.db2.gz YJQAOZLMPRLZSZ-PXAZEXFGSA-N 1 2 414.275 2.424 20 0 HEADLO COC(=O)c1ncn(C[NH+]2CCC(C(=O)Nc3ccccc3Br)CC2)n1 ZINC000738148164 1075969428 /nfs/dbraw/zinc/96/94/28/1075969428.db2.gz ICFUUSJMZBGAKE-UHFFFAOYSA-N 1 2 422.283 2.135 20 0 HEADLO COc1cc(C[NH+]2CCOCC2)ccc1Nc1cc(=O)n(C)c(=O)n1-c1ccccc1 ZINC001169961295 1079495495 /nfs/dbraw/zinc/49/54/95/1079495495.db2.gz LODSUWIQGUTNLZ-UHFFFAOYSA-N 1 2 422.485 2.121 20 0 HEADLO CC(=O)N1CCCCC[C@@H]1C1CC[NH+](CN2C(=O)C[C@]3(CCSC3)C2=O)CC1 ZINC000738220995 1075975556 /nfs/dbraw/zinc/97/55/56/1075975556.db2.gz OPMLDNXLKMMFLZ-NQIIRXRSSA-N 1 2 407.580 2.329 20 0 HEADLO C[C@H](CNS(=O)(=O)C1=Cc2ccc(OC(F)F)cc2CC1)C[NH+]1CCOCC1 ZINC000738413420 1075995614 /nfs/dbraw/zinc/99/56/14/1075995614.db2.gz VRVQYCCQKBZBAP-CQSZACIVSA-N 1 2 416.490 2.463 20 0 HEADLO COc1ccc2nc(Cl)ccc2c1S(=O)(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000738413331 1075995667 /nfs/dbraw/zinc/99/56/67/1075995667.db2.gz TZIDBUMXHMABSK-ZDUSSCGKSA-N 1 2 413.927 2.143 20 0 HEADLO CC[C@@H](NC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)c1ccc(F)cc1F ZINC000738472833 1076004276 /nfs/dbraw/zinc/00/42/76/1076004276.db2.gz SPBLRSWUCVOFQR-QGZVFWFLSA-N 1 2 403.495 2.224 20 0 HEADLO CCOC(=O)N1CCC(NC(=O)C[N@@H+]2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)CC1 ZINC000738881427 1076021592 /nfs/dbraw/zinc/02/15/92/1076021592.db2.gz IRVOXSZQXWXYJJ-QGZVFWFLSA-N 1 2 419.497 2.458 20 0 HEADLO CCOC(=O)N1CCC(NC(=O)C[N@H+]2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)CC1 ZINC000738881427 1076021597 /nfs/dbraw/zinc/02/15/97/1076021597.db2.gz IRVOXSZQXWXYJJ-QGZVFWFLSA-N 1 2 419.497 2.458 20 0 HEADLO C[C@H]1COCCN1c1ccc(NC(=O)C(=O)N[C@H](Cn2cc[nH+]c2)C(C)(C)C)cc1 ZINC000739065728 1076034664 /nfs/dbraw/zinc/03/46/64/1076034664.db2.gz GLPCSTVKLRRRQU-QFBILLFUSA-N 1 2 413.522 2.278 20 0 HEADLO C[C@H]1COCCN1c1ccc(NC(=O)C(=O)NCc2cc[nH+]c(N3CCCC3)c2)cc1 ZINC000739069899 1076037026 /nfs/dbraw/zinc/03/70/26/1076037026.db2.gz RHIQREYHUXIQPO-KRWDZBQOSA-N 1 2 423.517 2.162 20 0 HEADLO C[C@H](NC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)c1ncc(-c2ccccc2)o1 ZINC000740052669 1076099384 /nfs/dbraw/zinc/09/93/84/1076099384.db2.gz SOPNVIKMJFHCPZ-HNNXBMFYSA-N 1 2 420.535 2.211 20 0 HEADLO C[N@@H+]1CCO[C@@H]([C@H](NC(=O)NCc2nc(C3CC3)no2)c2ccc(Cl)cc2)C1 ZINC000766252267 1076163262 /nfs/dbraw/zinc/16/32/62/1076163262.db2.gz ZYPSIDNCTUODPO-NVXWUHKLSA-N 1 2 405.886 2.472 20 0 HEADLO C[N@H+]1CCO[C@@H]([C@H](NC(=O)NCc2nc(C3CC3)no2)c2ccc(Cl)cc2)C1 ZINC000766252267 1076163268 /nfs/dbraw/zinc/16/32/68/1076163268.db2.gz ZYPSIDNCTUODPO-NVXWUHKLSA-N 1 2 405.886 2.472 20 0 HEADLO C[C@@H](CNC(=O)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1)Cn1cc[nH+]c1 ZINC000740727720 1076218011 /nfs/dbraw/zinc/21/80/11/1076218011.db2.gz ZTQPVIKWWSLHEN-HNNXBMFYSA-N 1 2 408.499 2.263 20 0 HEADLO O=C(Nc1cc2ccccc2cc1C(=O)N1CC[NH+](CCn2cncn2)CC1)C1CC1 ZINC000740748663 1076233819 /nfs/dbraw/zinc/23/38/19/1076233819.db2.gz TYLKYKBGGXLRQJ-UHFFFAOYSA-N 1 2 418.501 2.238 20 0 HEADLO CC[N@@H+]1C[C@H](C)N(CC(=O)N(c2ccc(C)c(C)c2)[C@@H]2C=CS(=O)(=O)C2)C[C@H]1C ZINC000766255409 1076235659 /nfs/dbraw/zinc/23/56/59/1076235659.db2.gz XSIQTSRMGUKIES-SVFBPWRDSA-N 1 2 419.591 2.362 20 0 HEADLO CC[N@H+]1C[C@H](C)N(CC(=O)N(c2ccc(C)c(C)c2)[C@@H]2C=CS(=O)(=O)C2)C[C@H]1C ZINC000766255409 1076235666 /nfs/dbraw/zinc/23/56/66/1076235666.db2.gz XSIQTSRMGUKIES-SVFBPWRDSA-N 1 2 419.591 2.362 20 0 HEADLO CCOc1ccccc1N1C(=O)C(=O)N(C[N@@H+](C)[C@@H]2C[C@@H](OCC)C2(C)C)C1=O ZINC000740863175 1076273763 /nfs/dbraw/zinc/27/37/63/1076273763.db2.gz MEVDFCRKSQGWSU-IAGOWNOFSA-N 1 2 403.479 2.473 20 0 HEADLO CCOc1ccccc1N1C(=O)C(=O)N(C[N@H+](C)[C@@H]2C[C@@H](OCC)C2(C)C)C1=O ZINC000740863175 1076273772 /nfs/dbraw/zinc/27/37/72/1076273772.db2.gz MEVDFCRKSQGWSU-IAGOWNOFSA-N 1 2 403.479 2.473 20 0 HEADLO Cc1ccccc1C[NH+]1CCN(S(=O)(=O)c2ccc(N3CCOC3=O)cc2)CC1 ZINC000740889849 1076291070 /nfs/dbraw/zinc/29/10/70/1076291070.db2.gz COIZTGUCNCZXFV-UHFFFAOYSA-N 1 2 415.515 2.458 20 0 HEADLO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cc(S(C)(=O)=O)ccc2Cl)C[C@H]1C ZINC000740893939 1076294621 /nfs/dbraw/zinc/29/46/21/1076294621.db2.gz GZBVOLJAJZFXLB-OLZOCXBDSA-N 1 2 408.973 2.237 20 0 HEADLO CC[N@H+]1CC[C@H](N(C)S(=O)(=O)c2cc(S(C)(=O)=O)ccc2Cl)C[C@H]1C ZINC000740893939 1076294626 /nfs/dbraw/zinc/29/46/26/1076294626.db2.gz GZBVOLJAJZFXLB-OLZOCXBDSA-N 1 2 408.973 2.237 20 0 HEADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)N[C@H]2C[C@@H]2c2c(F)cccc2Cl)CC1 ZINC000740916033 1076304199 /nfs/dbraw/zinc/30/41/99/1076304199.db2.gz WKWASZWQGUCXHU-BBRMVZONSA-N 1 2 417.934 2.143 20 0 HEADLO C[C@@H](C(=O)OCCOc1cccc(S(C)(=O)=O)c1)[N@@H+]1CCc2ccccc2C1 ZINC000740987035 1076319304 /nfs/dbraw/zinc/31/93/04/1076319304.db2.gz IQDLDPFLPLGFMG-INIZCTEOSA-N 1 2 403.500 2.459 20 0 HEADLO C[C@@H](C(=O)OCCOc1cccc(S(C)(=O)=O)c1)[N@H+]1CCc2ccccc2C1 ZINC000740987035 1076319314 /nfs/dbraw/zinc/31/93/14/1076319314.db2.gz IQDLDPFLPLGFMG-INIZCTEOSA-N 1 2 403.500 2.459 20 0 HEADLO Cc1cc(C(=O)COC(=O)[C@H](C)[NH+]2CCCCCC2)c(C)n1[C@@H]1CCS(=O)(=O)C1 ZINC000741028670 1076343316 /nfs/dbraw/zinc/34/33/16/1076343316.db2.gz IBLJIBVPAFOJMV-ZWKOTPCHSA-N 1 2 424.563 2.455 20 0 HEADLO CCS(=O)(=O)N1CCc2cc(C(=O)COC(=O)[C@@H](C)[NH+]3CCCCCC3)ccc21 ZINC000741028740 1076343488 /nfs/dbraw/zinc/34/34/88/1076343488.db2.gz HZAXCPLVXVPXBG-MRXNPFEDSA-N 1 2 422.547 2.389 20 0 HEADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)N[C@H](CCO)c2cccs2)CC1 ZINC000741056767 1076346566 /nfs/dbraw/zinc/34/65/66/1076346566.db2.gz LRXXWXRVJBZJGW-QGZVFWFLSA-N 1 2 402.520 2.381 20 0 HEADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)NC[C@@](C)(O)c2ccsc2)CC1 ZINC000741057426 1076347036 /nfs/dbraw/zinc/34/70/36/1076347036.db2.gz VZOSOPICJPMWDP-HXUWFJFHSA-N 1 2 402.520 2.165 20 0 HEADLO CCOC(=O)[C@@H]1C[N@H+](CCC(=O)Nc2ccc(Br)cc2F)CCO1 ZINC000741253217 1076444350 /nfs/dbraw/zinc/44/43/50/1076444350.db2.gz ZWCVHLBNQSCXBK-AWEZNQCLSA-N 1 2 403.248 2.181 20 0 HEADLO CCOC(=O)[C@@H]1C[N@@H+](CCC(=O)Nc2ccc(Br)cc2F)CCO1 ZINC000741253217 1076444370 /nfs/dbraw/zinc/44/43/70/1076444370.db2.gz ZWCVHLBNQSCXBK-AWEZNQCLSA-N 1 2 403.248 2.181 20 0 HEADLO CCO[C@@H]1C[C@@H](O)C12CC[NH+](Cc1nnnn1-c1ccc(OC(F)F)cc1)CC2 ZINC000741255286 1076445659 /nfs/dbraw/zinc/44/56/59/1076445659.db2.gz HNQVTUOURYSDIK-HZPDHXFCSA-N 1 2 409.437 2.016 20 0 HEADLO C[C@@H](NC(=O)COC(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1)C(=O)N1CCCCC1 ZINC000741353027 1076492684 /nfs/dbraw/zinc/49/26/84/1076492684.db2.gz OXFNFPQVTNEOMQ-UYAOXDASSA-N 1 2 415.534 2.102 20 0 HEADLO C[C@@H](NC(=O)COC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1)C(=O)N1CCCCC1 ZINC000741353027 1076492689 /nfs/dbraw/zinc/49/26/89/1076492689.db2.gz OXFNFPQVTNEOMQ-UYAOXDASSA-N 1 2 415.534 2.102 20 0 HEADLO O=C(COC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1)NCc1cc(F)cc(F)c1 ZINC000741386923 1076495217 /nfs/dbraw/zinc/49/52/17/1076495217.db2.gz XSUDOLRHDYEGTL-IBGZPJMESA-N 1 2 404.413 2.025 20 0 HEADLO O=C(COC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)NCc1cc(F)cc(F)c1 ZINC000741386923 1076495221 /nfs/dbraw/zinc/49/52/21/1076495221.db2.gz XSUDOLRHDYEGTL-IBGZPJMESA-N 1 2 404.413 2.025 20 0 HEADLO COc1ccc(NC(=O)COC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)cc1OC ZINC000741383884 1076507521 /nfs/dbraw/zinc/50/75/21/1076507521.db2.gz OYTDEYLMGBGGCE-HXUWFJFHSA-N 1 2 414.458 2.087 20 0 HEADLO COc1ccc(NC(=O)COC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1OC ZINC000741383884 1076507526 /nfs/dbraw/zinc/50/75/26/1076507526.db2.gz OYTDEYLMGBGGCE-HXUWFJFHSA-N 1 2 414.458 2.087 20 0 HEADLO O=C(COC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000741386147 1076509351 /nfs/dbraw/zinc/50/93/51/1076509351.db2.gz VFGZPEHLTKICTR-IAGOWNOFSA-N 1 2 414.424 2.232 20 0 HEADLO O=C(COC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000741386147 1076509361 /nfs/dbraw/zinc/50/93/61/1076509361.db2.gz VFGZPEHLTKICTR-IAGOWNOFSA-N 1 2 414.424 2.232 20 0 HEADLO CCOC(=O)[C@@H]1CN(C(=O)Nc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)CCO1 ZINC000741394092 1076519643 /nfs/dbraw/zinc/51/96/43/1076519643.db2.gz VQPUEQDRZFEUCL-BXWFABGCSA-N 1 2 405.495 2.092 20 0 HEADLO CC(C)c1nn(C)c(Cl)c1C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000741683295 1076584541 /nfs/dbraw/zinc/58/45/41/1076584541.db2.gz PAKNHYGQGIENEU-UHFFFAOYSA-N 1 2 418.929 2.061 20 0 HEADLO CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)C[N@@H+]2Cc3ccccc3C[C@@H]2C)C1=O ZINC000741798516 1076623892 /nfs/dbraw/zinc/62/38/92/1076623892.db2.gz UVZDWEYXULBFNB-HJPURHCSSA-N 1 2 406.486 2.322 20 0 HEADLO CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)C[N@H+]2Cc3ccccc3C[C@@H]2C)C1=O ZINC000741798516 1076623893 /nfs/dbraw/zinc/62/38/93/1076623893.db2.gz UVZDWEYXULBFNB-HJPURHCSSA-N 1 2 406.486 2.322 20 0 HEADLO CN(C)c1ccc([NH+]2CCC(NC(=O)CN3C(=O)[C@@H]4CCCC[C@H]4C3=O)CC2)cc1 ZINC000741982504 1076702323 /nfs/dbraw/zinc/70/23/23/1076702323.db2.gz USOIPFQHHFLJCZ-WOJBJXKFSA-N 1 2 412.534 2.013 20 0 HEADLO CN(C)c1ccc([NH+]2CCC(NC(=O)Cn3cc(Br)cn3)CC2)cc1 ZINC000741981940 1076702754 /nfs/dbraw/zinc/70/27/54/1076702754.db2.gz FFHQXJCCQOXQTG-UHFFFAOYSA-N 1 2 406.328 2.497 20 0 HEADLO Cc1cc(S(N)(=O)=O)sc1C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000742108788 1076744493 /nfs/dbraw/zinc/74/44/93/1076744493.db2.gz APSDKJOMXRWICG-UHFFFAOYSA-N 1 2 422.576 2.169 20 0 HEADLO Cc1cc(C(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)c2c(=O)[nH]n(C)c2n1 ZINC000742113196 1076746009 /nfs/dbraw/zinc/74/60/09/1076746009.db2.gz GZFXHUIRVZSTMX-UHFFFAOYSA-N 1 2 408.506 2.447 20 0 HEADLO COC(=O)[C@@H](C)C[N@@H+](Cc1ccccc1)CN1C(=O)C(=O)N(C2CCCCC2)C1=O ZINC000742150798 1076766537 /nfs/dbraw/zinc/76/65/37/1076766537.db2.gz ZLMGTXDBVLIQDE-INIZCTEOSA-N 1 2 415.490 2.379 20 0 HEADLO COC(=O)[C@@H](C)C[N@H+](Cc1ccccc1)CN1C(=O)C(=O)N(C2CCCCC2)C1=O ZINC000742150798 1076766543 /nfs/dbraw/zinc/76/65/43/1076766543.db2.gz ZLMGTXDBVLIQDE-INIZCTEOSA-N 1 2 415.490 2.379 20 0 HEADLO COCCCOC1CC[NH+](CN2C(=O)C(=O)N([C@H](C)c3ccccc3)C2=O)CC1 ZINC000742152133 1076767897 /nfs/dbraw/zinc/76/78/97/1076767897.db2.gz FPYKXMYFYJTFLY-MRXNPFEDSA-N 1 2 403.479 2.013 20 0 HEADLO Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)N1CCC([N@H+](C)CC(F)F)CC1 ZINC000742238850 1076803525 /nfs/dbraw/zinc/80/35/25/1076803525.db2.gz LZUCCVMCYKRTDV-UHFFFAOYSA-N 1 2 415.506 2.237 20 0 HEADLO Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)N1CCC([N@@H+](C)CC(F)F)CC1 ZINC000742238850 1076803528 /nfs/dbraw/zinc/80/35/28/1076803528.db2.gz LZUCCVMCYKRTDV-UHFFFAOYSA-N 1 2 415.506 2.237 20 0 HEADLO O=C1C[C@H]([N@@H+]2CCc3c(cccc3N3CCOC3=O)C2)C(=O)N1Cc1ccccc1 ZINC000742264617 1076810987 /nfs/dbraw/zinc/81/09/87/1076810987.db2.gz DVQAXVSZSKTMAC-FQEVSTJZSA-N 1 2 405.454 2.329 20 0 HEADLO O=C1C[C@H]([N@H+]2CCc3c(cccc3N3CCOC3=O)C2)C(=O)N1Cc1ccccc1 ZINC000742264617 1076810988 /nfs/dbraw/zinc/81/09/88/1076810988.db2.gz DVQAXVSZSKTMAC-FQEVSTJZSA-N 1 2 405.454 2.329 20 0 HEADLO O=S(=O)(/C=C\c1cccc(Br)c1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000742316214 1076828469 /nfs/dbraw/zinc/82/84/69/1076828469.db2.gz FONHTDQNVYFSGP-YLBKJFSISA-N 1 2 415.353 2.404 20 0 HEADLO CCCCCC[C@@](C)(CC)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000742531393 1076848185 /nfs/dbraw/zinc/84/81/85/1076848185.db2.gz AFHINQHTWCTJMS-HXUWFJFHSA-N 1 2 416.632 2.010 20 0 HEADLO N=C1NC(=O)[C@H](CC(=O)NC2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)S1 ZINC000742563066 1076849409 /nfs/dbraw/zinc/84/94/09/1076849409.db2.gz UJZASOLZYDDKIP-AWEZNQCLSA-N 1 2 414.453 2.342 20 0 HEADLO N=C1NC(=O)C(CC(=O)NC2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)S1 ZINC000742563066 1076849410 /nfs/dbraw/zinc/84/94/10/1076849410.db2.gz UJZASOLZYDDKIP-AWEZNQCLSA-N 1 2 414.453 2.342 20 0 HEADLO CC(C)(C)OC(=O)N1CCC[C@@H]1CC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000742576067 1076852814 /nfs/dbraw/zinc/85/28/14/1076852814.db2.gz XEWFFHSQCSLOCD-UZLBHIALSA-N 1 2 413.584 2.100 20 0 HEADLO N=C1NC(=O)C(CC(=O)Nc2ccc(NC(=O)C[NH+]3CCCCCCC3)cc2)S1 ZINC000742621949 1076854408 /nfs/dbraw/zinc/85/44/08/1076854408.db2.gz AEFVNYOCAASEOO-INIZCTEOSA-N 1 2 417.535 2.386 20 0 HEADLO CC(C)(C)OC(=O)NCc1ccc(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)o1 ZINC000742653838 1076864754 /nfs/dbraw/zinc/86/47/54/1076864754.db2.gz ORVSAVNPAONVDO-UHFFFAOYSA-N 1 2 419.482 2.085 20 0 HEADLO COc1cc(C)c(C[NH+]2CCN(C(=O)COC(=O)c3ccoc3C)CC2)cc1OC ZINC000742820703 1076883006 /nfs/dbraw/zinc/88/30/06/1076883006.db2.gz NVHKVUCYWSMRQZ-UHFFFAOYSA-N 1 2 416.474 2.415 20 0 HEADLO Cc1[nH]c2nn(C)c(=O)c-2c(C)c1CC(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000742859024 1076889525 /nfs/dbraw/zinc/88/95/25/1076889525.db2.gz QZHNDZTZVIHKNV-SFHVURJKSA-N 1 2 418.501 2.255 20 0 HEADLO CC[NH+](CC)[C@@H]1CCN(C(=O)c2ccc3c(c2)[nH]c(=S)n(CCCOC)c3=O)C1 ZINC000742900862 1076895005 /nfs/dbraw/zinc/89/50/05/1076895005.db2.gz FHVHETDWFHNJLG-MRXNPFEDSA-N 1 2 418.563 2.278 20 0 HEADLO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc3c(c2)[nH]c(=S)n(CCCOC)c3=O)C1 ZINC000742915659 1076896894 /nfs/dbraw/zinc/89/68/94/1076896894.db2.gz OQDMIZZZMBFNII-HNNXBMFYSA-N 1 2 418.563 2.136 20 0 HEADLO CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccc3c(c2)[nH]c(=S)n(CCCOC)c3=O)C1 ZINC000742915659 1076896895 /nfs/dbraw/zinc/89/68/95/1076896895.db2.gz OQDMIZZZMBFNII-HNNXBMFYSA-N 1 2 418.563 2.136 20 0 HEADLO CN(C)c1ccc([NH+]2CCC(NC(=O)Nc3cccc(OCC(N)=O)c3)CC2)cc1 ZINC000743095769 1076952156 /nfs/dbraw/zinc/95/21/56/1076952156.db2.gz MIXUGXOMGZQVLD-UHFFFAOYSA-N 1 2 411.506 2.407 20 0 HEADLO Cc1ccc(N2CCOC2=O)cc1NC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000743242727 1077012707 /nfs/dbraw/zinc/01/27/07/1077012707.db2.gz YCGGIKLRIHVWOV-UHFFFAOYSA-N 1 2 414.466 2.124 20 0 HEADLO CC[NH+](CC)Cc1csc(NC(=O)c2ccc(C[C@@H]3CC(=O)NC3=O)cc2)n1 ZINC000743316454 1077027729 /nfs/dbraw/zinc/02/77/29/1077027729.db2.gz APRDHDRKMWMCGP-OAHLLOKOSA-N 1 2 400.504 2.442 20 0 HEADLO CO[C@@H]1CCC[N@H+](CN2C(=O)N[C@@]3(CCCC[C@H]3CNC(=O)OC(C)(C)C)C2=O)C1 ZINC000743361302 1077032172 /nfs/dbraw/zinc/03/21/72/1077032172.db2.gz MMQJGLIVJSQWGM-GCKMJXCFSA-N 1 2 424.542 2.060 20 0 HEADLO CO[C@@H]1CCC[N@@H+](CN2C(=O)N[C@@]3(CCCC[C@H]3CNC(=O)OC(C)(C)C)C2=O)C1 ZINC000743361302 1077032177 /nfs/dbraw/zinc/03/21/77/1077032177.db2.gz MMQJGLIVJSQWGM-GCKMJXCFSA-N 1 2 424.542 2.060 20 0 HEADLO C[N@H+](C[C@@H]1CCCO1)CN1C(=O)N[C@]2(CCCC[C@H]2CNC(=O)OC(C)(C)C)C1=O ZINC000743365131 1077033401 /nfs/dbraw/zinc/03/34/01/1077033401.db2.gz QQEWVSACHFFIPG-QYWGDWMGSA-N 1 2 424.542 2.060 20 0 HEADLO C[N@@H+](C[C@@H]1CCCO1)CN1C(=O)N[C@]2(CCCC[C@H]2CNC(=O)OC(C)(C)C)C1=O ZINC000743365131 1077033408 /nfs/dbraw/zinc/03/34/08/1077033408.db2.gz QQEWVSACHFFIPG-QYWGDWMGSA-N 1 2 424.542 2.060 20 0 HEADLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)C(=O)Nc1cc(N2CCCC2=O)ccc1F ZINC000743403863 1077043681 /nfs/dbraw/zinc/04/36/81/1077043681.db2.gz ZAUKASDVZUKFIU-UHFFFAOYSA-N 1 2 421.432 2.393 20 0 HEADLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)C(=O)Nc1ccc(CN2CCCC2=O)cc1 ZINC000743403682 1077043702 /nfs/dbraw/zinc/04/37/02/1077043702.db2.gz STSYLJPYSYBXJA-UHFFFAOYSA-N 1 2 417.469 2.250 20 0 HEADLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)C(=O)Nc1cc2c(cc1F)CCC(=O)N2 ZINC000743403430 1077047020 /nfs/dbraw/zinc/04/70/20/1077047020.db2.gz MZHPCHBTGXYTIG-UHFFFAOYSA-N 1 2 407.405 2.151 20 0 HEADLO CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@@H]1NC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000743504396 1077058844 /nfs/dbraw/zinc/05/88/44/1077058844.db2.gz DFLAIKTUOBYTGY-IRXDYDNUSA-N 1 2 412.575 2.480 20 0 HEADLO O=C(NCC[C@H](O)c1ccccc1)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000743565025 1077069924 /nfs/dbraw/zinc/06/99/24/1077069924.db2.gz RTFAZTZNJSJLKF-QFIPXVFZSA-N 1 2 413.518 2.321 20 0 HEADLO O=C(CNC(=O)c1ccc(-c2ccccc2)cc1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000743727559 1077097343 /nfs/dbraw/zinc/09/73/43/1077097343.db2.gz AYOOOQUNWDSLFX-QFIPXVFZSA-N 1 2 407.514 2.407 20 0 HEADLO Cc1ccc(S(=O)(=O)NCC[N@@H+](C)C[C@@H]2CN(c3ccccc3)C(=O)O2)cc1 ZINC000743866934 1077153261 /nfs/dbraw/zinc/15/32/61/1077153261.db2.gz QUCPXPHHHPEWMX-GOSISDBHSA-N 1 2 403.504 2.231 20 0 HEADLO Cc1ccc(S(=O)(=O)NCC[N@H+](C)C[C@@H]2CN(c3ccccc3)C(=O)O2)cc1 ZINC000743866934 1077153272 /nfs/dbraw/zinc/15/32/72/1077153272.db2.gz QUCPXPHHHPEWMX-GOSISDBHSA-N 1 2 403.504 2.231 20 0 HEADLO CCOC(=O)N1CCC(NC(=O)C[NH+]2CCN(c3ccc(CC)cc3)CC2)CC1 ZINC000743868333 1077154193 /nfs/dbraw/zinc/15/41/93/1077154193.db2.gz ULVQGRDYNYSAAD-UHFFFAOYSA-N 1 2 402.539 2.108 20 0 HEADLO COC(=O)C(C)(C)c1ccc(NC(=O)C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000743887349 1077179636 /nfs/dbraw/zinc/17/96/36/1077179636.db2.gz JUBSSTBPXUKQGQ-UHFFFAOYSA-N 1 2 423.513 2.420 20 0 HEADLO CC(C)Cc1cc(NC(=O)C(=O)N[C@@H](Cc2[nH+]ccn2C)c2ccccc2)n(C)n1 ZINC000743985457 1077296478 /nfs/dbraw/zinc/29/64/78/1077296478.db2.gz HOCJSSDWCPTHJQ-SFHVURJKSA-N 1 2 408.506 2.391 20 0 HEADLO C[C@]1(c2ccccc2F)NC(=O)N(C[NH+]2CCC(c3nnc4ccccn43)CC2)C1=O ZINC000744123524 1077324525 /nfs/dbraw/zinc/32/45/25/1077324525.db2.gz LEBQKXAELDASGT-JOCHJYFZSA-N 1 2 422.464 2.473 20 0 HEADLO CS(=O)(=O)NCC[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000744389163 1077372667 /nfs/dbraw/zinc/37/26/67/1077372667.db2.gz MMZHBYQOAFMKBJ-IBGZPJMESA-N 1 2 422.595 2.409 20 0 HEADLO CS(=O)(=O)NCC[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000744389163 1077372671 /nfs/dbraw/zinc/37/26/71/1077372671.db2.gz MMZHBYQOAFMKBJ-IBGZPJMESA-N 1 2 422.595 2.409 20 0 HEADLO CN(C[C@H]1CCC[N@@H+]1CC(=O)N1CC(=O)Nc2ccccc21)C(=O)OC(C)(C)C ZINC000744424625 1077388153 /nfs/dbraw/zinc/38/81/53/1077388153.db2.gz SGQZVFKLIKZTGA-OAHLLOKOSA-N 1 2 402.495 2.303 20 0 HEADLO CN(C[C@H]1CCC[N@H+]1CC(=O)N1CC(=O)Nc2ccccc21)C(=O)OC(C)(C)C ZINC000744424625 1077388157 /nfs/dbraw/zinc/38/81/57/1077388157.db2.gz SGQZVFKLIKZTGA-OAHLLOKOSA-N 1 2 402.495 2.303 20 0 HEADLO CCc1nsc(N2CCC[N@@H+]([C@@H](C)C(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)CC2)n1 ZINC000744425842 1077388294 /nfs/dbraw/zinc/38/82/94/1077388294.db2.gz BHKIPVFRFMGCEJ-LBPRGKRZSA-N 1 2 415.523 2.222 20 0 HEADLO CCc1nsc(N2CCC[N@H+]([C@@H](C)C(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)CC2)n1 ZINC000744425842 1077388301 /nfs/dbraw/zinc/38/83/01/1077388301.db2.gz BHKIPVFRFMGCEJ-LBPRGKRZSA-N 1 2 415.523 2.222 20 0 HEADLO CCN(CC1CC[NH+]([C@@H]2CC(=O)N(c3cnn(C)c3)C2=O)CC1)C(=O)OC(C)(C)C ZINC000744429280 1077390778 /nfs/dbraw/zinc/39/07/78/1077390778.db2.gz LONPPLIAOZPOLY-QGZVFWFLSA-N 1 2 419.526 2.021 20 0 HEADLO COc1ccc2c(c1)C[N@@H+](CN1CC3(CN(C(=O)OC(C)(C)C)C3)CC1=O)CC2 ZINC000744431737 1077392204 /nfs/dbraw/zinc/39/22/04/1077392204.db2.gz ASFGOUWGOAEJAB-UHFFFAOYSA-N 1 2 401.507 2.480 20 0 HEADLO COc1ccc2c(c1)C[N@H+](CN1CC3(CN(C(=O)OC(C)(C)C)C3)CC1=O)CC2 ZINC000744431737 1077392208 /nfs/dbraw/zinc/39/22/08/1077392208.db2.gz ASFGOUWGOAEJAB-UHFFFAOYSA-N 1 2 401.507 2.480 20 0 HEADLO Cn1ccnc(N2CC[NH+](Cc3c(-c4ccccc4)nc4sccn34)CC2)c1=O ZINC000744451802 1077398458 /nfs/dbraw/zinc/39/84/58/1077398458.db2.gz YFCFTKWVQJZRPV-UHFFFAOYSA-N 1 2 406.515 2.479 20 0 HEADLO CC(=O)OC1CCN(C(=O)N[C@H](c2ccc(Cl)cc2)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000766320444 1077434401 /nfs/dbraw/zinc/43/44/01/1077434401.db2.gz OLFSRUDIQHRIEW-RTBURBONSA-N 1 2 409.914 2.449 20 0 HEADLO CC(=O)OC1CCN(C(=O)N[C@H](c2ccc(Cl)cc2)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000766320444 1077434422 /nfs/dbraw/zinc/43/44/22/1077434422.db2.gz OLFSRUDIQHRIEW-RTBURBONSA-N 1 2 409.914 2.449 20 0 HEADLO C[C@H](OC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1)C(=O)Nc1ncnc2[nH]cnc21 ZINC000745103897 1077732323 /nfs/dbraw/zinc/73/23/23/1077732323.db2.gz IINSOXIEIOKGJQ-HOCLYGCPSA-N 1 2 408.462 2.278 20 0 HEADLO C[C@H](OC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1)C(=O)Nc1ncnc2[nH]cnc21 ZINC000745103897 1077732330 /nfs/dbraw/zinc/73/23/30/1077732330.db2.gz IINSOXIEIOKGJQ-HOCLYGCPSA-N 1 2 408.462 2.278 20 0 HEADLO O=C(CCC(=O)N1CCN(c2cccc[nH+]2)CC1)OCc1cccc2c1OCCO2 ZINC000766326164 1077793908 /nfs/dbraw/zinc/79/39/08/1077793908.db2.gz JRTVSQVRWDXPGO-UHFFFAOYSA-N 1 2 411.458 2.025 20 0 HEADLO CCn1nc(C)c(C(=O)OCC(=O)N2CC[NH+](Cc3cccs3)CC2)c1Cl ZINC000745360169 1077813923 /nfs/dbraw/zinc/81/39/23/1077813923.db2.gz WLUKUFPJSWHSCY-UHFFFAOYSA-N 1 2 410.927 2.428 20 0 HEADLO O=C(COC(=O)[C@H]1Cc2ccccc21)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000745380205 1077815340 /nfs/dbraw/zinc/81/53/40/1077815340.db2.gz UJIFDEMUJMWTDK-NRFANRHFSA-N 1 2 406.482 2.149 20 0 HEADLO COCCCn1c(=O)c2ccc(C(=O)NC[C@H]3CC[N@@H+](C(C)C)C3)cc2[nH]c1=S ZINC000745397927 1077817710 /nfs/dbraw/zinc/81/77/10/1077817710.db2.gz DNFFPPUKWMCHRX-OAHLLOKOSA-N 1 2 418.563 2.182 20 0 HEADLO COCCCn1c(=O)c2ccc(C(=O)NC[C@H]3CC[N@H+](C(C)C)C3)cc2[nH]c1=S ZINC000745397927 1077817713 /nfs/dbraw/zinc/81/77/13/1077817713.db2.gz DNFFPPUKWMCHRX-OAHLLOKOSA-N 1 2 418.563 2.182 20 0 HEADLO O=C(COC(=O)c1cccc(C2OCCO2)c1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000766914951 1079504554 /nfs/dbraw/zinc/50/45/54/1079504554.db2.gz YKZWUQRWOQDTBH-UHFFFAOYSA-N 1 2 416.499 2.295 20 0 HEADLO Cn1cc([C@@H](O)C[C@@H]2CCC[N@@H+]2CC(=O)N(Cc2ccco2)CC(F)(F)F)cn1 ZINC000766952676 1079517145 /nfs/dbraw/zinc/51/71/45/1079517145.db2.gz BPXDWEVBGAIQCV-RDJZCZTQSA-N 1 2 414.428 2.492 20 0 HEADLO Cn1cc([C@@H](O)C[C@@H]2CCC[N@H+]2CC(=O)N(Cc2ccco2)CC(F)(F)F)cn1 ZINC000766952676 1079517155 /nfs/dbraw/zinc/51/71/55/1079517155.db2.gz BPXDWEVBGAIQCV-RDJZCZTQSA-N 1 2 414.428 2.492 20 0 HEADLO CCOC(=O)C1C(C[N@@H+]2CCC[C@](C)(O)C2)=NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000767020973 1079595098 /nfs/dbraw/zinc/59/50/98/1079595098.db2.gz ZQFYKVHNOHZCPS-PXNSSMCTSA-N 1 2 407.898 2.358 20 0 HEADLO CCOC(=O)C1C(C[N@H+]2CCC[C@](C)(O)C2)=NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000767020973 1079595110 /nfs/dbraw/zinc/59/51/10/1079595110.db2.gz ZQFYKVHNOHZCPS-PXNSSMCTSA-N 1 2 407.898 2.358 20 0 HEADLO Cc1cc[nH+]c(N2CCN([C@H](C)C(=O)Nc3ccc(N4CCOCC4)cc3)CC2)c1 ZINC000767069141 1079640537 /nfs/dbraw/zinc/64/05/37/1079640537.db2.gz RKPKIHJPUISINT-LJQANCHMSA-N 1 2 409.534 2.376 20 0 HEADLO C[NH+](C)[C@@H](CNS(=O)(=O)C1CCN(C(=O)OC(C)(C)C)CC1)c1ccco1 ZINC000767080608 1079651117 /nfs/dbraw/zinc/65/11/17/1079651117.db2.gz MVIIVRLUPVRWJE-HNNXBMFYSA-N 1 2 401.529 2.201 20 0 HEADLO O=C(OCc1ccccc1)N1CC[NH+](C[C@H](O)COc2ccc3c(c2)OCO3)CC1 ZINC000746521596 1079662030 /nfs/dbraw/zinc/66/20/30/1079662030.db2.gz YORUXNBSSDCCGD-SFHVURJKSA-N 1 2 414.458 2.109 20 0 HEADLO CCN(CC)C(=O)c1cccc(NC(=O)COC(=O)C[N@H+](C)[C@@H]2CCSC2)c1 ZINC000772044332 1079666182 /nfs/dbraw/zinc/66/61/82/1079666182.db2.gz HEEFMWPJZARSNU-QGZVFWFLSA-N 1 2 407.536 2.088 20 0 HEADLO CCN(CC)C(=O)c1cccc(NC(=O)COC(=O)C[N@@H+](C)[C@@H]2CCSC2)c1 ZINC000772044332 1079666191 /nfs/dbraw/zinc/66/61/91/1079666191.db2.gz HEEFMWPJZARSNU-QGZVFWFLSA-N 1 2 407.536 2.088 20 0 HEADLO CCN(CC)C(=O)c1ccc(NC(=O)COC(=O)C[N@H+](C)[C@H]2CCSC2)cc1 ZINC000772047039 1079668202 /nfs/dbraw/zinc/66/82/02/1079668202.db2.gz HPBWJCWCSUUTSX-KRWDZBQOSA-N 1 2 407.536 2.088 20 0 HEADLO CCN(CC)C(=O)c1ccc(NC(=O)COC(=O)C[N@@H+](C)[C@H]2CCSC2)cc1 ZINC000772047039 1079668207 /nfs/dbraw/zinc/66/82/07/1079668207.db2.gz HPBWJCWCSUUTSX-KRWDZBQOSA-N 1 2 407.536 2.088 20 0 HEADLO CCOC(=O)c1sc(NC(=O)COC(=O)C[N@H+](C)[C@H]2CCSC2)cc1C ZINC000772048107 1079670000 /nfs/dbraw/zinc/67/00/00/1079670000.db2.gz KUNFLFXXLXYHSN-LBPRGKRZSA-N 1 2 400.522 2.152 20 0 HEADLO CCOC(=O)c1sc(NC(=O)COC(=O)C[N@@H+](C)[C@H]2CCSC2)cc1C ZINC000772048107 1079670005 /nfs/dbraw/zinc/67/00/05/1079670005.db2.gz KUNFLFXXLXYHSN-LBPRGKRZSA-N 1 2 400.522 2.152 20 0 HEADLO COc1cc(NC(=O)COC(=O)C[N@H+](C)[C@H]2CCSC2)c(OC)cc1Cl ZINC000772052169 1079672763 /nfs/dbraw/zinc/67/27/63/1079672763.db2.gz XIKILLNKSCFVJA-NSHDSACASA-N 1 2 402.900 2.276 20 0 HEADLO COc1cc(NC(=O)COC(=O)C[N@@H+](C)[C@H]2CCSC2)c(OC)cc1Cl ZINC000772052169 1079672767 /nfs/dbraw/zinc/67/27/67/1079672767.db2.gz XIKILLNKSCFVJA-NSHDSACASA-N 1 2 402.900 2.276 20 0 HEADLO CCC[C@@H]1CN(C(=O)c2ccc3c(c2)[nH]c(=S)n(CC)c3=O)CC[N@@H+]1CCOC ZINC000767123139 1079690839 /nfs/dbraw/zinc/69/08/39/1079690839.db2.gz LUJDHSNUVDPZAV-MRXNPFEDSA-N 1 2 418.563 2.278 20 0 HEADLO CCC[C@@H]1CN(C(=O)c2ccc3c(c2)[nH]c(=S)n(CC)c3=O)CC[N@H+]1CCOC ZINC000767123139 1079690850 /nfs/dbraw/zinc/69/08/50/1079690850.db2.gz LUJDHSNUVDPZAV-MRXNPFEDSA-N 1 2 418.563 2.278 20 0 HEADLO CN(C)c1ccc(N2C(=O)C[C@@H]([NH+]3CCC(Oc4ncccc4F)CC3)C2=O)cc1 ZINC000772180081 1079728432 /nfs/dbraw/zinc/72/84/32/1079728432.db2.gz WSFCHSPBPSHRFE-LJQANCHMSA-N 1 2 412.465 2.462 20 0 HEADLO CS(=O)(=O)Nc1ccc(N2CCN(c3cc(N4CCCCC4)[nH+]cn3)CC2)cc1 ZINC000767315785 1079814546 /nfs/dbraw/zinc/81/45/46/1079814546.db2.gz SFTFTKKGAAXBPC-UHFFFAOYSA-N 1 2 416.551 2.165 20 0 HEADLO CS(=O)(=O)Nc1ccc(N2CCN(c3cc(N4CCCCC4)nc[nH+]3)CC2)cc1 ZINC000767315785 1079814549 /nfs/dbraw/zinc/81/45/49/1079814549.db2.gz SFTFTKKGAAXBPC-UHFFFAOYSA-N 1 2 416.551 2.165 20 0 HEADLO NC(=O)c1cc(OC2CC[NH+](CCCS(=O)(=O)c3ccc(F)cc3)CC2)ccn1 ZINC000772332996 1079826261 /nfs/dbraw/zinc/82/62/61/1079826261.db2.gz MOXPGLPJUWBBOO-UHFFFAOYSA-N 1 2 421.494 2.027 20 0 HEADLO Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC(Oc3ccnc(C(N)=O)c3)CC2)cc1F ZINC000772336971 1079829782 /nfs/dbraw/zinc/82/97/82/1079829782.db2.gz XZCLYHSBZQHBLS-AWEZNQCLSA-N 1 2 400.454 2.498 20 0 HEADLO Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(Oc3ccnc(C(N)=O)c3)CC2)c(F)c1 ZINC000772345817 1079834573 /nfs/dbraw/zinc/83/45/73/1079834573.db2.gz MGTGFUVAPSTDDS-CQSZACIVSA-N 1 2 400.454 2.498 20 0 HEADLO CC[NH+](CC)Cc1csc(NC(=O)c2cnn(CC(=O)NC3CCCC3)c2)n1 ZINC000772435086 1079875626 /nfs/dbraw/zinc/87/56/26/1079875626.db2.gz OYUGERLXEUTQRX-UHFFFAOYSA-N 1 2 404.540 2.493 20 0 HEADLO CCN(CC)S(=O)(=O)c1cc(C(=O)OCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)ccc1C ZINC000767453355 1079880527 /nfs/dbraw/zinc/88/05/27/1079880527.db2.gz XIAKQKZHRKZSDL-HDICACEKSA-N 1 2 410.536 2.046 20 0 HEADLO CCN(CC)S(=O)(=O)c1cc(C(=O)OCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)ccc1C ZINC000767453355 1079880530 /nfs/dbraw/zinc/88/05/30/1079880530.db2.gz XIAKQKZHRKZSDL-HDICACEKSA-N 1 2 410.536 2.046 20 0 HEADLO O=C(Cc1csc(NC(=O)c2cccs2)n1)OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000767460680 1079885064 /nfs/dbraw/zinc/88/50/64/1079885064.db2.gz HKTZKNRIIHKUQX-OKILXGFUSA-N 1 2 407.517 2.406 20 0 HEADLO O=C(Cc1csc(NC(=O)c2cccs2)n1)OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000767460680 1079885068 /nfs/dbraw/zinc/88/50/68/1079885068.db2.gz HKTZKNRIIHKUQX-OKILXGFUSA-N 1 2 407.517 2.406 20 0 HEADLO O=C(COC(=O)c1ccn(Cc2ccccc2)n1)N1CC[NH+](Cc2cccs2)CC1 ZINC000772457167 1079886708 /nfs/dbraw/zinc/88/67/08/1079886708.db2.gz MQFNNVJXNDSQST-UHFFFAOYSA-N 1 2 424.526 2.494 20 0 HEADLO C[C@H](NC(=O)c1ccc(Br)s1)C(=O)OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000767502972 1079894359 /nfs/dbraw/zinc/89/43/59/1079894359.db2.gz XCMQSLKBEDLWDC-SDDRHHMPSA-N 1 2 417.325 2.035 20 0 HEADLO C[C@H](NC(=O)c1ccc(Br)s1)C(=O)OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000767502972 1079894360 /nfs/dbraw/zinc/89/43/60/1079894360.db2.gz XCMQSLKBEDLWDC-SDDRHHMPSA-N 1 2 417.325 2.035 20 0 HEADLO O=C(OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)[C@@H]1CCCN1C(=O)c1ccccc1OC(F)F ZINC000767488414 1079905434 /nfs/dbraw/zinc/90/54/34/1079905434.db2.gz GWZVHGFPYBSMFN-UXLLHSPISA-N 1 2 424.444 2.299 20 0 HEADLO O=C(OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)[C@@H]1CCCN1C(=O)c1ccccc1OC(F)F ZINC000767488414 1079905449 /nfs/dbraw/zinc/90/54/49/1079905449.db2.gz GWZVHGFPYBSMFN-UXLLHSPISA-N 1 2 424.444 2.299 20 0 HEADLO COc1cc(C)c(C[NH+]2CCN(C(=O)COC(=O)[C@H]3C[C@@H]3C(C)C)CC2)cc1OC ZINC000772504417 1079930769 /nfs/dbraw/zinc/93/07/69/1079930769.db2.gz YFJNBTGBBSFDJU-MOPGFXCFSA-N 1 2 418.534 2.492 20 0 HEADLO CC(C)N(C(=O)[C@@H](C)OC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1)C(C)C ZINC000767535859 1079936090 /nfs/dbraw/zinc/93/60/90/1079936090.db2.gz CEWNVWTUSVRWJE-GOSISDBHSA-N 1 2 418.538 2.088 20 0 HEADLO C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1C(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000772582270 1079941994 /nfs/dbraw/zinc/94/19/94/1079941994.db2.gz XJAACTYMNGVTGJ-ZWKOTPCHSA-N 1 2 417.554 2.108 20 0 HEADLO COc1c(C)cnc(COC(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)c1C ZINC000767540628 1079945412 /nfs/dbraw/zinc/94/54/12/1079945412.db2.gz XTGFGAZRBMGOJA-UHFFFAOYSA-N 1 2 412.490 2.274 20 0 HEADLO CC[C@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000767542303 1079946510 /nfs/dbraw/zinc/94/65/10/1079946510.db2.gz FFKDDNFFEURCCS-DVWBAYGPSA-N 1 2 400.519 2.392 20 0 HEADLO CC[C@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000767542303 1079946521 /nfs/dbraw/zinc/94/65/21/1079946521.db2.gz FFKDDNFFEURCCS-DVWBAYGPSA-N 1 2 400.519 2.392 20 0 HEADLO CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000767542301 1079946762 /nfs/dbraw/zinc/94/67/62/1079946762.db2.gz FFKDDNFFEURCCS-DBOLQNLKSA-N 1 2 400.519 2.392 20 0 HEADLO CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000767542301 1079946782 /nfs/dbraw/zinc/94/67/82/1079946782.db2.gz FFKDDNFFEURCCS-DBOLQNLKSA-N 1 2 400.519 2.392 20 0 HEADLO O=C(OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccc(F)c(I)c1 ZINC000767570092 1079980037 /nfs/dbraw/zinc/98/00/37/1079980037.db2.gz ZFDHZVKRPCFDGS-TXEJJXNPSA-N 1 2 405.207 2.450 20 0 HEADLO O=C(OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccc(F)c(I)c1 ZINC000767570092 1079980051 /nfs/dbraw/zinc/98/00/51/1079980051.db2.gz ZFDHZVKRPCFDGS-TXEJJXNPSA-N 1 2 405.207 2.450 20 0 HEADLO C[C@@H]1CCC[C@H](NC(=O)C[NH+]2CCN(c3ccc(NS(C)(=O)=O)cc3)CC2)[C@@H]1C ZINC000767744307 1080062046 /nfs/dbraw/zinc/06/20/46/1080062046.db2.gz AHAAIEGUFDRLAG-HLIPFELVSA-N 1 2 422.595 2.121 20 0 HEADLO CC1CCC(N(C)C(=O)C[NH+]2CCN(c3ccc(NS(C)(=O)=O)cc3)CC2)CC1 ZINC000767744462 1080062089 /nfs/dbraw/zinc/06/20/89/1080062089.db2.gz MDZIMICMJICZNV-UHFFFAOYSA-N 1 2 422.595 2.217 20 0 HEADLO C[C@@H](C(=O)Nc1ccccc1)[NH+]1CCN(c2ccc(NS(C)(=O)=O)cc2)CC1 ZINC000767745670 1080063962 /nfs/dbraw/zinc/06/39/62/1080063962.db2.gz BHBHZGNCYFNLPV-INIZCTEOSA-N 1 2 402.520 2.207 20 0 HEADLO CCc1ccc(NC(=O)C[NH+]2CCN(c3ccc(NS(C)(=O)=O)cc3)CC2)cc1 ZINC000767753324 1080086056 /nfs/dbraw/zinc/08/60/56/1080086056.db2.gz XXEGDOCJXBXOBM-UHFFFAOYSA-N 1 2 416.547 2.381 20 0 HEADLO CN(CCCn1cc[nH+]c1)S(=O)(=O)[C@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000767848739 1080169416 /nfs/dbraw/zinc/16/94/16/1080169416.db2.gz HQHRORFKIJRABM-IBGZPJMESA-N 1 2 420.535 2.336 20 0 HEADLO CC(=O)c1c(C)cc(C)c(COC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1C ZINC000785657772 1080179552 /nfs/dbraw/zinc/17/95/52/1080179552.db2.gz NLTSJNBNXYKLAA-IBGZPJMESA-N 1 2 416.518 2.038 20 0 HEADLO O=C(OCc1ccc(Cl)c(Cl)c1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000785659877 1080181977 /nfs/dbraw/zinc/18/19/77/1080181977.db2.gz SQQCQACYWSKNHB-CQSZACIVSA-N 1 2 401.290 2.217 20 0 HEADLO O=C(COC(=O)[C@@H](O)Cc1ccccc1Cl)N1CC[NH+](Cc2cccs2)CC1 ZINC000785726077 1080202219 /nfs/dbraw/zinc/20/22/19/1080202219.db2.gz BXQLOKJPTSDCDG-SFHVURJKSA-N 1 2 422.934 2.193 20 0 HEADLO CC(C)(C)OC(=O)NCC[N@H+](CCO)Cc1cn2cc(Br)ccc2n1 ZINC000767922745 1080217415 /nfs/dbraw/zinc/21/74/15/1080217415.db2.gz CRPYAWSUVHTBHH-UHFFFAOYSA-N 1 2 413.316 2.416 20 0 HEADLO CC(C)(C)OC(=O)NCC[N@@H+](CCO)Cc1cn2cc(Br)ccc2n1 ZINC000767922745 1080217425 /nfs/dbraw/zinc/21/74/25/1080217425.db2.gz CRPYAWSUVHTBHH-UHFFFAOYSA-N 1 2 413.316 2.416 20 0 HEADLO CO[C@H](CNC(=O)OC(C)(C)C)CC(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000767924722 1080217809 /nfs/dbraw/zinc/21/78/09/1080217809.db2.gz OATCUGRKMXQKLX-WMZOPIPTSA-N 1 2 406.527 2.217 20 0 HEADLO Cc1cccc([C@H](O)CNC(=O)NCc2cccc(OCC[NH+]3CCOCC3)c2)c1 ZINC000767936626 1080230567 /nfs/dbraw/zinc/23/05/67/1080230567.db2.gz BFZRLHPIFGNXND-JOCHJYFZSA-N 1 2 413.518 2.239 20 0 HEADLO CCn1ncnc1C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000785768717 1080238961 /nfs/dbraw/zinc/23/89/61/1080238961.db2.gz PRLKVCNRUMFWCC-IAGOWNOFSA-N 1 2 420.558 2.026 20 0 HEADLO CCn1ncnc1C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000785768717 1080238968 /nfs/dbraw/zinc/23/89/68/1080238968.db2.gz PRLKVCNRUMFWCC-IAGOWNOFSA-N 1 2 420.558 2.026 20 0 HEADLO CC(C)S(=O)(=O)c1ccc(F)c(C(=O)N2CC[N@@H+](C3CCOCC3)C[C@H]2C)c1 ZINC000785831323 1080263007 /nfs/dbraw/zinc/26/30/07/1080263007.db2.gz MOMFVXYMUYQZIL-OAHLLOKOSA-N 1 2 412.527 2.333 20 0 HEADLO CC(C)S(=O)(=O)c1ccc(F)c(C(=O)N2CC[N@H+](C3CCOCC3)C[C@H]2C)c1 ZINC000785831323 1080263021 /nfs/dbraw/zinc/26/30/21/1080263021.db2.gz MOMFVXYMUYQZIL-OAHLLOKOSA-N 1 2 412.527 2.333 20 0 HEADLO CC(C)N(CCS(C)(=O)=O)C(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000768068494 1080304303 /nfs/dbraw/zinc/30/43/03/1080304303.db2.gz MGFULFYYJSZFKA-UHFFFAOYSA-N 1 2 417.616 2.265 20 0 HEADLO CC(C)N(CCS(C)(=O)=O)C(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000768068494 1080304308 /nfs/dbraw/zinc/30/43/08/1080304308.db2.gz MGFULFYYJSZFKA-UHFFFAOYSA-N 1 2 417.616 2.265 20 0 HEADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)[C@@]2(NC(=O)OCc3ccccc3)CCOC2)C1 ZINC000768129279 1080363991 /nfs/dbraw/zinc/36/39/91/1080363991.db2.gz UVRPQMWHXMHEPV-XMSQKQJNSA-N 1 2 412.490 2.212 20 0 HEADLO COCC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000768154650 1080373570 /nfs/dbraw/zinc/37/35/70/1080373570.db2.gz WYFFKZHWNDKGDM-RBUKOAKNSA-N 1 2 414.506 2.458 20 0 HEADLO CC(C)(C)OC(=O)N1CCc2cccc(C[NH+]3CCN(CC(=O)NC4CC4)CC3)c21 ZINC000768201140 1080392078 /nfs/dbraw/zinc/39/20/78/1080392078.db2.gz SRYUNUQCQQPYRG-UHFFFAOYSA-N 1 2 414.550 2.380 20 0 HEADLO CC(C)(C)OC(=O)NC1(C(=O)OCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)Cc2ccccc2C1 ZINC000786096015 1080392176 /nfs/dbraw/zinc/39/21/76/1080392176.db2.gz XDICRAHUAJNCGD-KDURUIRLSA-N 1 2 416.518 2.455 20 0 HEADLO CC(C)(C)OC(=O)NC1(C(=O)OCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)Cc2ccccc2C1 ZINC000786096015 1080392185 /nfs/dbraw/zinc/39/21/85/1080392185.db2.gz XDICRAHUAJNCGD-KDURUIRLSA-N 1 2 416.518 2.455 20 0 HEADLO CCS(=O)(=O)CCn1cc(C)c(NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)n1 ZINC000786246743 1080485891 /nfs/dbraw/zinc/48/58/91/1080485891.db2.gz QMXZTSWPFLXPQL-UHFFFAOYSA-N 1 2 401.492 2.123 20 0 HEADLO COC(=O)CCc1cccc(NC(=O)C(=O)N[C@H](Cn2cc[nH+]c2)C(C)(C)C)c1 ZINC000786273598 1080521610 /nfs/dbraw/zinc/52/16/10/1080521610.db2.gz HVGHCTXZEIJFEV-QGZVFWFLSA-N 1 2 400.479 2.158 20 0 HEADLO CCc1cc(CNC(=O)C(=O)Nc2ccc(C[NH+](C)C)c(Br)c2)n[nH]1 ZINC000786329506 1080564455 /nfs/dbraw/zinc/56/44/55/1080564455.db2.gz BRVOFPOBRILANJ-UHFFFAOYSA-N 1 2 408.300 2.051 20 0 HEADLO CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C3CCC(CC3)[C@@H]1C(F)(F)F)C2 ZINC001109304004 1080587468 /nfs/dbraw/zinc/58/74/68/1080587468.db2.gz FDGDREBEZKWRJX-ASBIDWPESA-N 1 2 401.473 2.459 20 0 HEADLO CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C3CCC(CC3)[C@@H]1C(F)(F)F)C2 ZINC001109304004 1080587475 /nfs/dbraw/zinc/58/74/75/1080587475.db2.gz FDGDREBEZKWRJX-ASBIDWPESA-N 1 2 401.473 2.459 20 0 HEADLO CN(C)C(=O)c1cccc(NC(=O)N2CC[N@H+](C)C[C@H]2CNC(=O)OC(C)(C)C)c1 ZINC000768495892 1080592003 /nfs/dbraw/zinc/59/20/03/1080592003.db2.gz DENNKTLYRQFFBB-QGZVFWFLSA-N 1 2 419.526 2.061 20 0 HEADLO CN(C)C(=O)c1cccc(NC(=O)N2CC[N@@H+](C)C[C@H]2CNC(=O)OC(C)(C)C)c1 ZINC000768495892 1080592010 /nfs/dbraw/zinc/59/20/10/1080592010.db2.gz DENNKTLYRQFFBB-QGZVFWFLSA-N 1 2 419.526 2.061 20 0 HEADLO CCc1ccc([C@@]2(CC)NC(=O)N(C[NH+]3CCC(CC(=O)NC)CC3)C2=O)cc1 ZINC000768497362 1080593396 /nfs/dbraw/zinc/59/33/96/1080593396.db2.gz UQMNFOJNKZGAHC-JOCHJYFZSA-N 1 2 400.523 2.212 20 0 HEADLO O=C(COC(=O)Cc1n[nH]c2ccccc21)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000746582499 1080608202 /nfs/dbraw/zinc/60/82/02/1080608202.db2.gz AAGLFONCGCWFEJ-UHFFFAOYSA-N 1 2 408.458 2.120 20 0 HEADLO O=C(COC(=O)Cc1[nH]nc2ccccc21)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000746582499 1080608210 /nfs/dbraw/zinc/60/82/10/1080608210.db2.gz AAGLFONCGCWFEJ-UHFFFAOYSA-N 1 2 408.458 2.120 20 0 HEADLO O=C(NCc1ccn(-c2ccccc2)n1)C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000786464287 1080643930 /nfs/dbraw/zinc/64/39/30/1080643930.db2.gz YQCVCKBJRVOXPB-UHFFFAOYSA-N 1 2 418.501 2.190 20 0 HEADLO CCCc1nc(C(=O)OCC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)co1 ZINC000786522489 1080647608 /nfs/dbraw/zinc/64/76/08/1080647608.db2.gz ZNYKDKGMQUJJAQ-UHFFFAOYSA-N 1 2 413.474 2.063 20 0 HEADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)C(=O)N1CCC[C@H]1C[C@H](O)c1ccco1 ZINC000786507197 1080662978 /nfs/dbraw/zinc/66/29/78/1080662978.db2.gz UXPHEYAQPNKEAL-ROUUACIJSA-N 1 2 412.490 2.006 20 0 HEADLO CN(Cc1ccn(-c2ccccc2)n1)C(=O)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000786507872 1080663706 /nfs/dbraw/zinc/66/37/06/1080663706.db2.gz WBRVSXJSRRPADI-UHFFFAOYSA-N 1 2 418.501 2.142 20 0 HEADLO CC(C)Nc1nc(N2CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)nc(NCCO)[nH+]1 ZINC000786584936 1080673211 /nfs/dbraw/zinc/67/32/11/1080673211.db2.gz WYDQOKXZXKYCTG-HNNXBMFYSA-N 1 2 423.562 2.179 20 0 HEADLO C[N@@H+]1CCN(C(=O)NCCc2ccc(F)c(F)c2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000786831607 1080828334 /nfs/dbraw/zinc/82/83/34/1080828334.db2.gz SLWFVSYYMRDCPE-HNNXBMFYSA-N 1 2 412.481 2.358 20 0 HEADLO C[N@H+]1CCN(C(=O)NCCc2ccc(F)c(F)c2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000786831607 1080828338 /nfs/dbraw/zinc/82/83/38/1080828338.db2.gz SLWFVSYYMRDCPE-HNNXBMFYSA-N 1 2 412.481 2.358 20 0 HEADLO Cc1nn(CC(=O)OC(C)C)c(C)c1C[NH+]1CCN(C2=NCC(C)(C)S2)CC1 ZINC000768885690 1080831679 /nfs/dbraw/zinc/83/16/79/1080831679.db2.gz IHVAWTODXBJDMV-UHFFFAOYSA-N 1 2 407.584 2.451 20 0 HEADLO CCNC(=O)COc1ccc(C[NH+]2CCN(C3=NCC(C)(C)S3)CC2)cc1OC ZINC000768884226 1080831715 /nfs/dbraw/zinc/83/17/15/1080831715.db2.gz FJUXQASDTPFAIX-UHFFFAOYSA-N 1 2 420.579 2.209 20 0 HEADLO C[C@]1(c2ccc3c(c2)CCC3)NC(=O)N(C[N@@H+]2CCOC3(CCOCC3)CC2)C1=O ZINC000768905277 1080842288 /nfs/dbraw/zinc/84/22/88/1080842288.db2.gz JJNZUEUWHSSOGR-JOCHJYFZSA-N 1 2 413.518 2.171 20 0 HEADLO C[C@]1(c2ccc3c(c2)CCC3)NC(=O)N(C[N@H+]2CCOC3(CCOCC3)CC2)C1=O ZINC000768905277 1080842294 /nfs/dbraw/zinc/84/22/94/1080842294.db2.gz JJNZUEUWHSSOGR-JOCHJYFZSA-N 1 2 413.518 2.171 20 0 HEADLO Cn1cc(C(=O)OCC(=O)N2CC[NH+](Cc3ccsc3)CC2)c(C(C)(C)C)n1 ZINC000768956353 1080882588 /nfs/dbraw/zinc/88/25/88/1080882588.db2.gz NPXQTVCSFXGZJJ-UHFFFAOYSA-N 1 2 404.536 2.280 20 0 HEADLO O=C(COC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)NCC1(N2CCOCC2)CCCCC1 ZINC000786885603 1080886072 /nfs/dbraw/zinc/88/60/72/1080886072.db2.gz YHEUUUMEZKYKSC-FQEVSTJZSA-N 1 2 421.582 2.088 20 0 HEADLO O=C(COC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)NCC1(N2CCOCC2)CCCCC1 ZINC000786885603 1080886075 /nfs/dbraw/zinc/88/60/75/1080886075.db2.gz YHEUUUMEZKYKSC-FQEVSTJZSA-N 1 2 421.582 2.088 20 0 HEADLO C[C@@H](OC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)c1ncc(C(C)(C)C)o1 ZINC000786998971 1080911854 /nfs/dbraw/zinc/91/18/54/1080911854.db2.gz LPWOMABKHXWIIN-CVEARBPZSA-N 1 2 407.511 2.290 20 0 HEADLO COc1cc(N[C@H]2CCCN(C(=O)NCC[N@@H+]3CCO[C@H](C)C3)C2)cc(OC)c1 ZINC000769086848 1080934315 /nfs/dbraw/zinc/93/43/15/1080934315.db2.gz QSOZLNKYBWMKBG-SJORKVTESA-N 1 2 406.527 2.010 20 0 HEADLO COc1cc(N[C@H]2CCCN(C(=O)NCC[N@H+]3CCO[C@H](C)C3)C2)cc(OC)c1 ZINC000769086848 1080934333 /nfs/dbraw/zinc/93/43/33/1080934333.db2.gz QSOZLNKYBWMKBG-SJORKVTESA-N 1 2 406.527 2.010 20 0 HEADLO C[NH+]1CCN(c2ccc(N[C@@H]3CCCS(=O)(=O)C3)cc2Br)CC1 ZINC000786978426 1080935210 /nfs/dbraw/zinc/93/52/10/1080935210.db2.gz YJJSWWUCJLMSAI-CQSZACIVSA-N 1 2 402.358 2.190 20 0 HEADLO CCOc1cc(C[N@@H+]2CCCNC(=O)C2)ccc1OCC(=O)N(C(C)C)C(C)C ZINC000769110327 1080938037 /nfs/dbraw/zinc/93/80/37/1080938037.db2.gz WLUMCQRHUKQMKM-UHFFFAOYSA-N 1 2 405.539 2.431 20 0 HEADLO CCOc1cc(C[N@H+]2CCCNC(=O)C2)ccc1OCC(=O)N(C(C)C)C(C)C ZINC000769110327 1080938052 /nfs/dbraw/zinc/93/80/52/1080938052.db2.gz WLUMCQRHUKQMKM-UHFFFAOYSA-N 1 2 405.539 2.431 20 0 HEADLO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)c2nc(NCc3ccco3)ncc2Cl)CC1 ZINC000746619726 1080946022 /nfs/dbraw/zinc/94/60/22/1080946022.db2.gz SUWMSJLDZZCDSW-ZDUSSCGKSA-N 1 2 421.885 2.045 20 0 HEADLO CN(C)c1ccc([NH+]2CCC(NC(=O)N3CCOC4(CCOCC4)C3)CC2)cc1 ZINC000769128859 1080946559 /nfs/dbraw/zinc/94/65/59/1080946559.db2.gz VMPCZDWVBACSDA-UHFFFAOYSA-N 1 2 402.539 2.312 20 0 HEADLO C[C@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1ccc2c(c1)[nH]c(=S)n(Cc1ccco1)c2=O ZINC000769141973 1080957461 /nfs/dbraw/zinc/95/74/61/1080957461.db2.gz WAINMDOZVMVCDN-KBPBESRZSA-N 1 2 412.515 2.491 20 0 HEADLO C[C@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1ccc2c(c1)[nH]c(=S)n(Cc1ccco1)c2=O ZINC000769141973 1080957472 /nfs/dbraw/zinc/95/74/72/1080957472.db2.gz WAINMDOZVMVCDN-KBPBESRZSA-N 1 2 412.515 2.491 20 0 HEADLO O=C(NCCS(=O)(=O)CC1CC1)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000769142186 1080957704 /nfs/dbraw/zinc/95/77/04/1080957704.db2.gz ATBBWLCDRWFFLS-OALUTQOASA-N 1 2 402.520 2.236 20 0 HEADLO CC(=O)Nc1cccc([C@@H](C)NC(=O)C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000787079779 1080983204 /nfs/dbraw/zinc/98/32/04/1080983204.db2.gz GMMWQPJZOVGEAG-OAHLLOKOSA-N 1 2 405.458 2.324 20 0 HEADLO COc1c(C)c[nH+]c(CNC(=O)C(=O)NCc2cccc(NC(=O)C3CCC3)c2)c1C ZINC000787086045 1080990680 /nfs/dbraw/zinc/99/06/80/1080990680.db2.gz VSKWISSWMRJVFF-UHFFFAOYSA-N 1 2 424.501 2.378 20 0 HEADLO CC(=O)N(C)c1ccc(NC(=O)N2CC[N@H+](C)C[C@H]2CNC(=O)OC(C)(C)C)cc1 ZINC000769236802 1081011746 /nfs/dbraw/zinc/01/17/46/1081011746.db2.gz VNGVOPQKKNSNMH-GOSISDBHSA-N 1 2 419.526 2.342 20 0 HEADLO CC(=O)N(C)c1ccc(NC(=O)N2CC[N@@H+](C)C[C@H]2CNC(=O)OC(C)(C)C)cc1 ZINC000769236802 1081011754 /nfs/dbraw/zinc/01/17/54/1081011754.db2.gz VNGVOPQKKNSNMH-GOSISDBHSA-N 1 2 419.526 2.342 20 0 HEADLO C[C@@H]1C[N@H+](CCNC(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2)CCO1 ZINC000787139704 1081024237 /nfs/dbraw/zinc/02/42/37/1081024237.db2.gz UKTATYBQTWWPIK-GDBMZVCRSA-N 1 2 411.344 2.048 20 0 HEADLO C[C@@H]1C[N@@H+](CCNC(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2)CCO1 ZINC000787139704 1081024244 /nfs/dbraw/zinc/02/42/44/1081024244.db2.gz UKTATYBQTWWPIK-GDBMZVCRSA-N 1 2 411.344 2.048 20 0 HEADLO C[N@@H+]1CCN(C(=O)Cc2cc(F)c(F)cc2F)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000769272214 1081025796 /nfs/dbraw/zinc/02/57/96/1081025796.db2.gz DGJVRIDJAODNIH-ZDUSSCGKSA-N 1 2 401.429 2.314 20 0 HEADLO C[N@H+]1CCN(C(=O)Cc2cc(F)c(F)cc2F)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000769272214 1081025804 /nfs/dbraw/zinc/02/58/04/1081025804.db2.gz DGJVRIDJAODNIH-ZDUSSCGKSA-N 1 2 401.429 2.314 20 0 HEADLO Cn1cc(CN2CC[NH+](Cc3cc4ccccc4nc3N3CCOCC3)CC2)cn1 ZINC000769306600 1081037838 /nfs/dbraw/zinc/03/78/38/1081037838.db2.gz AMACKRQJGRAOHT-UHFFFAOYSA-N 1 2 406.534 2.123 20 0 HEADLO CCOC(=O)c1[nH]c(C)c(S(=O)(=O)NCc2ccc(-n3cc[nH+]c3)cc2)c1C ZINC000769405796 1081064408 /nfs/dbraw/zinc/06/44/08/1081064408.db2.gz SDNRVSZAMHXHKH-UHFFFAOYSA-N 1 2 402.476 2.472 20 0 HEADLO COC(=O)c1cccc(NC(=O)C[NH+]2CCC([C@H](C)NC(=O)OC(C)(C)C)CC2)n1 ZINC000787236576 1081083517 /nfs/dbraw/zinc/08/35/17/1081083517.db2.gz JDFPYJVCHJHYMA-AWEZNQCLSA-N 1 2 420.510 2.432 20 0 HEADLO COc1ccc(C(=O)Nc2cccc(CN3CC[NH+](CC[S@@](C)=O)CC3)c2)cc1 ZINC000769478804 1081093106 /nfs/dbraw/zinc/09/31/06/1081093106.db2.gz FOIFSEDXNUWZMW-GDLZYMKVSA-N 1 2 415.559 2.444 20 0 HEADLO C[S@@](=O)CC[NH+]1CCN(Cc2cn(-c3ccccc3)nc2-c2ccncc2)CC1 ZINC000769478905 1081093237 /nfs/dbraw/zinc/09/32/37/1081093237.db2.gz FUNIMOXACZIZGF-GDLZYMKVSA-N 1 2 409.559 2.430 20 0 HEADLO C[C@H](CNC(=O)OC(C)(C)C)NC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000769496126 1081096892 /nfs/dbraw/zinc/09/68/92/1081096892.db2.gz YCCBODOCOWMKPI-SJLPKXTDSA-N 1 2 406.527 2.100 20 0 HEADLO C[C@H](CNC(=O)OC(C)(C)C)NC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000769496126 1081096903 /nfs/dbraw/zinc/09/69/03/1081096903.db2.gz YCCBODOCOWMKPI-SJLPKXTDSA-N 1 2 406.527 2.100 20 0 HEADLO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1CN1CCC([N@H+](C)CC(F)F)CC1 ZINC000769508055 1081101188 /nfs/dbraw/zinc/10/11/88/1081101188.db2.gz CXOJTHSHLIAWTH-AWEZNQCLSA-N 1 2 424.945 2.366 20 0 HEADLO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1CN1CCC([N@@H+](C)CC(F)F)CC1 ZINC000769508055 1081101193 /nfs/dbraw/zinc/10/11/93/1081101193.db2.gz CXOJTHSHLIAWTH-AWEZNQCLSA-N 1 2 424.945 2.366 20 0 HEADLO COC(=O)c1cccc(NC(=O)C[N@@H+]2CC[C@@H](NC(=O)OC(C)(C)C)C[C@H]2C)n1 ZINC000787269823 1081101942 /nfs/dbraw/zinc/10/19/42/1081101942.db2.gz RJNKNLKKROLFIR-ZIAGYGMSSA-N 1 2 406.483 2.184 20 0 HEADLO COC(=O)c1cccc(NC(=O)C[N@H+]2CC[C@@H](NC(=O)OC(C)(C)C)C[C@H]2C)n1 ZINC000787269823 1081101947 /nfs/dbraw/zinc/10/19/47/1081101947.db2.gz RJNKNLKKROLFIR-ZIAGYGMSSA-N 1 2 406.483 2.184 20 0 HEADLO C[C@H](CNC(=O)OC(C)(C)C)NC(=O)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000769511060 1081102565 /nfs/dbraw/zinc/10/25/65/1081102565.db2.gz WQWCXSVXJAJANB-MJGOQNOKSA-N 1 2 420.554 2.142 20 0 HEADLO Cc1ccc(S(=O)(=O)N[C@@H](CC[N@@H+]2CCCNC(=O)C2)c2ccccc2)cc1 ZINC000746667553 1081103479 /nfs/dbraw/zinc/10/34/79/1081103479.db2.gz YJPOWEQSRPJYOF-FQEVSTJZSA-N 1 2 401.532 2.227 20 0 HEADLO Cc1ccc(S(=O)(=O)N[C@@H](CC[N@H+]2CCCNC(=O)C2)c2ccccc2)cc1 ZINC000746667553 1081103483 /nfs/dbraw/zinc/10/34/83/1081103483.db2.gz YJPOWEQSRPJYOF-FQEVSTJZSA-N 1 2 401.532 2.227 20 0 HEADLO CN(C)C(=O)COc1ccc(C(F)(F)C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000769576294 1081131191 /nfs/dbraw/zinc/13/11/91/1081131191.db2.gz KLKGGSISIGEQAE-AWEZNQCLSA-N 1 2 406.433 2.375 20 0 HEADLO O=C1COc2nc(N3CCC4(CC3)COCC[N@H+]4Cc3ccc(F)cc3)ccc2N1 ZINC001164672996 719508692 /nfs/dbraw/zinc/50/86/92/719508692.db2.gz LYMRTWQTLFTLSI-UHFFFAOYSA-N 1 2 412.465 2.423 20 0 HEADLO O=C1COc2nc(N3CCC4(CC3)COCC[N@@H+]4Cc3ccc(F)cc3)ccc2N1 ZINC001164672996 719508706 /nfs/dbraw/zinc/50/87/06/719508706.db2.gz LYMRTWQTLFTLSI-UHFFFAOYSA-N 1 2 412.465 2.423 20 0 HEADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(Cl)nc2c1COC2(C)C ZINC001164706496 719848181 /nfs/dbraw/zinc/84/81/81/719848181.db2.gz XMINDKFUWBAXHD-RNODOKPDSA-N 1 2 424.929 2.128 20 0 HEADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1[C@@H](F)Oc1ccc(Cl)nc1 ZINC001164700661 719854531 /nfs/dbraw/zinc/85/45/31/719854531.db2.gz ISEFPYRZPZZIPR-XWIAVFTESA-N 1 2 401.866 2.095 20 0 HEADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc(-c2cccs2)nn1 ZINC001164701517 719860175 /nfs/dbraw/zinc/86/01/75/719860175.db2.gz LADDNYQKFOECDI-MGPUTAFESA-N 1 2 402.520 2.438 20 0 HEADLO CCCN(CCC)c1cc(N2CC[C@@H]([NH+]3CCOCC3)C[C@@]2(C)C(=O)OC)ncn1 ZINC001164704649 719861951 /nfs/dbraw/zinc/86/19/51/719861951.db2.gz SDCCGVMEDSCWLX-GCJKJVERSA-N 1 2 419.570 2.336 20 0 HEADLO C=Cc1nc(Cl)nc(N2CC[C@H]([NH+]3CCOCC3)C[C@]2(C)C(=O)OC)c1OC ZINC001164699141 719866365 /nfs/dbraw/zinc/86/63/65/719866365.db2.gz AIBMSLPPDPIPQX-ORAYPTAESA-N 1 2 410.902 2.014 20 0 HEADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc(-c2cccs2)ncn1 ZINC001164707448 719870706 /nfs/dbraw/zinc/87/07/06/719870706.db2.gz SRYCEAATVLNVPO-MGPUTAFESA-N 1 2 402.520 2.438 20 0 HEADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc(SC)nc(SC)n1 ZINC001164700805 719879347 /nfs/dbraw/zinc/87/93/47/719879347.db2.gz LYLBJYGKKSLOGR-SCLBCKFNSA-N 1 2 412.581 2.153 20 0 HEADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nc4ccc(C)cc4nc3Cl)C2)C1 ZINC001164720439 720242911 /nfs/dbraw/zinc/24/29/11/720242911.db2.gz VYUUQVDNUOKSMG-OAQYLSRUSA-N 1 2 417.941 2.256 20 0 HEADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nc4ccc(C)cc4nc3Cl)C2)C1 ZINC001164720439 720242913 /nfs/dbraw/zinc/24/29/13/720242913.db2.gz VYUUQVDNUOKSMG-OAQYLSRUSA-N 1 2 417.941 2.256 20 0 HEADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3cnc(Cl)c(F)c3)C2)C1 ZINC001164719707 720244394 /nfs/dbraw/zinc/24/43/94/720244394.db2.gz OCGNKVNQDCFUNW-KRWDZBQOSA-N 1 2 420.863 2.084 20 0 HEADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3cnc(Cl)c(F)c3)C2)C1 ZINC001164719707 720244404 /nfs/dbraw/zinc/24/44/04/720244404.db2.gz OCGNKVNQDCFUNW-KRWDZBQOSA-N 1 2 420.863 2.084 20 0 HEADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cc(C)cc(Cl)n3)C2)C1 ZINC001164719360 720261132 /nfs/dbraw/zinc/26/11/32/720261132.db2.gz LIAPWCVPUVGELS-GOSISDBHSA-N 1 2 416.900 2.253 20 0 HEADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cc(C)cc(Cl)n3)C2)C1 ZINC001164719360 720261144 /nfs/dbraw/zinc/26/11/44/720261144.db2.gz LIAPWCVPUVGELS-GOSISDBHSA-N 1 2 416.900 2.253 20 0 HEADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ncnc5cnccc54)CC3)C2=O)cs1 ZINC001164823137 720363358 /nfs/dbraw/zinc/36/33/58/720363358.db2.gz AZCGTUMBMFJNRO-UHFFFAOYSA-N 1 2 423.546 2.103 20 0 HEADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ncnc5cnccc54)CC3)C2=O)cs1 ZINC001164823137 720363369 /nfs/dbraw/zinc/36/33/69/720363369.db2.gz AZCGTUMBMFJNRO-UHFFFAOYSA-N 1 2 423.546 2.103 20 0 HEADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4cnc5cccnc5n4)CC3)C2=O)cs1 ZINC001164824078 720367006 /nfs/dbraw/zinc/36/70/06/720367006.db2.gz IKWRHOHOKFSBBF-UHFFFAOYSA-N 1 2 423.546 2.103 20 0 HEADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4cnc5cccnc5n4)CC3)C2=O)cs1 ZINC001164824078 720367010 /nfs/dbraw/zinc/36/70/10/720367010.db2.gz IKWRHOHOKFSBBF-UHFFFAOYSA-N 1 2 423.546 2.103 20 0 HEADLO Cc1cc(Cl)cc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164824954 720431437 /nfs/dbraw/zinc/43/14/37/720431437.db2.gz MYLCGNLKGPSOLH-MRXNPFEDSA-N 1 2 405.930 2.230 20 0 HEADLO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4nc5nc[nH]c5cc4Cl)C3)O2)CC1 ZINC001164890361 721420573 /nfs/dbraw/zinc/42/05/73/721420573.db2.gz SFJKTDVITCOQLZ-QRWLVFNGSA-N 1 2 404.946 2.377 20 0 HEADLO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4nc5[nH]cnc5cc4Cl)C3)O2)CC1 ZINC001164890361 721420574 /nfs/dbraw/zinc/42/05/74/721420574.db2.gz SFJKTDVITCOQLZ-QRWLVFNGSA-N 1 2 404.946 2.377 20 0 HEADLO COC(=O)c1c(Cl)cnc(N2CCCn3c(C[N@H+](C)C(C)C)nnc3C2)c1OC ZINC001165010084 721711004 /nfs/dbraw/zinc/71/10/04/721711004.db2.gz ZISQNXQEAVTJAX-UHFFFAOYSA-N 1 2 422.917 2.372 20 0 HEADLO COC(=O)c1c(Cl)cnc(N2CCCn3c(C[N@@H+](C)C(C)C)nnc3C2)c1OC ZINC001165010084 721711011 /nfs/dbraw/zinc/71/10/11/721711011.db2.gz ZISQNXQEAVTJAX-UHFFFAOYSA-N 1 2 422.917 2.372 20 0 HEADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(C(F)(F)c1cc[n+]([O-])c(Cl)c1)C2 ZINC001165010939 721721156 /nfs/dbraw/zinc/72/11/56/721721156.db2.gz LFOJSXLTCKDXKT-UHFFFAOYSA-N 1 2 400.861 2.360 20 0 HEADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(C(F)(F)c1cc[n+]([O-])c(Cl)c1)C2 ZINC001165010939 721721161 /nfs/dbraw/zinc/72/11/61/721721161.db2.gz LFOJSXLTCKDXKT-UHFFFAOYSA-N 1 2 400.861 2.360 20 0 HEADLO COC(=O)[C@@H](C)c1c(Cl)ncnc1N1CCCn2c(C[N@H+](C)C(C)C)nnc2C1 ZINC001165009883 721721427 /nfs/dbraw/zinc/72/14/27/721721427.db2.gz BEZBVLDCLGHSHF-ZDUSSCGKSA-N 1 2 421.933 2.249 20 0 HEADLO COC(=O)[C@@H](C)c1c(Cl)ncnc1N1CCCn2c(C[N@@H+](C)C(C)C)nnc2C1 ZINC001165009883 721721434 /nfs/dbraw/zinc/72/14/34/721721434.db2.gz BEZBVLDCLGHSHF-ZDUSSCGKSA-N 1 2 421.933 2.249 20 0 HEADLO COc1nc2ccccc2nc1N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164912827 721774907 /nfs/dbraw/zinc/77/49/07/721774907.db2.gz QLPWWANVUWTWLF-QHCPKHFHSA-N 1 2 421.501 2.141 20 0 HEADLO COc1nc2ccccc2nc1N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164912827 721774909 /nfs/dbraw/zinc/77/49/09/721774909.db2.gz QLPWWANVUWTWLF-QHCPKHFHSA-N 1 2 421.501 2.141 20 0 HEADLO F[C@@H](Oc1ccc(Cl)nc1)N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164916402 721782454 /nfs/dbraw/zinc/78/24/54/721782454.db2.gz QQCPEGQGXVVGRE-UXHICEINSA-N 1 2 422.888 2.365 20 0 HEADLO F[C@@H](Oc1ccc(Cl)nc1)N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164916402 721782455 /nfs/dbraw/zinc/78/24/55/721782455.db2.gz QQCPEGQGXVVGRE-UXHICEINSA-N 1 2 422.888 2.365 20 0 HEADLO CC(C)(C)Oc1ccnc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164915185 721784488 /nfs/dbraw/zinc/78/44/88/721784488.db2.gz JOWNYMDFNQGDEK-QFIPXVFZSA-N 1 2 413.522 2.157 20 0 HEADLO CC(C)(C)Oc1ccnc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164915185 721784490 /nfs/dbraw/zinc/78/44/90/721784490.db2.gz JOWNYMDFNQGDEK-QFIPXVFZSA-N 1 2 413.522 2.157 20 0 HEADLO CCc1c(Cl)ncnc1N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164913544 721796300 /nfs/dbraw/zinc/79/63/00/721796300.db2.gz FEZNXHSCTYONHZ-HXUWFJFHSA-N 1 2 403.914 2.195 20 0 HEADLO CCc1c(Cl)ncnc1N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164913544 721796301 /nfs/dbraw/zinc/79/63/01/721796301.db2.gz FEZNXHSCTYONHZ-HXUWFJFHSA-N 1 2 403.914 2.195 20 0 HEADLO c1csc(-c2nccc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)n2)n1 ZINC001164915727 721800841 /nfs/dbraw/zinc/80/08/41/721800841.db2.gz YYWNEVOJMHNYNN-OAQYLSRUSA-N 1 2 424.530 2.103 20 0 HEADLO c1csc(-c2nccc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)n2)n1 ZINC001164915727 721800844 /nfs/dbraw/zinc/80/08/44/721800844.db2.gz YYWNEVOJMHNYNN-OAQYLSRUSA-N 1 2 424.530 2.103 20 0 HEADLO Cc1nc(CN2CCOC[C@@]3(CN(c4cc(N)cc(Cl)[nH+]4)CCO3)C2)cs1 ZINC001164924104 721826485 /nfs/dbraw/zinc/82/64/85/721826485.db2.gz LMKWMGJTPAWZLV-SFHVURJKSA-N 1 2 409.943 2.190 20 0 HEADLO Cc1nc(CN2CCOC[C@@]3(CN(c4nc(C)[nH+]c5c4CCC5)CCO3)C2)cs1 ZINC001164925245 721830733 /nfs/dbraw/zinc/83/07/33/721830733.db2.gz YXDPLWXGMYKHFB-NRFANRHFSA-N 1 2 415.563 2.146 20 0 HEADLO Cn1ccc(CN2CCOCC23CCN(c2cc(N4CCCCC4)[nH+]cn2)CC3)n1 ZINC001164935240 721907725 /nfs/dbraw/zinc/90/77/25/721907725.db2.gz DKCVWFKCNOCCSI-UHFFFAOYSA-N 1 2 411.554 2.072 20 0 HEADLO Cn1ccc(CN2CCOCC23CCN(c2cc(N4CCCCC4)nc[nH+]2)CC3)n1 ZINC001164935240 721907728 /nfs/dbraw/zinc/90/77/28/721907728.db2.gz DKCVWFKCNOCCSI-UHFFFAOYSA-N 1 2 411.554 2.072 20 0 HEADLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN([C@@H](F)Oc1cncc(Cl)n1)CC2 ZINC001164950396 721980803 /nfs/dbraw/zinc/98/08/03/721980803.db2.gz SIPFMVHYXQPJQO-LJQANCHMSA-N 1 2 419.888 2.229 20 0 HEADLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN([C@@H](F)Oc1cncc(Cl)n1)CC2 ZINC001164950396 721980804 /nfs/dbraw/zinc/98/08/04/721980804.db2.gz SIPFMVHYXQPJQO-LJQANCHMSA-N 1 2 419.888 2.229 20 0 HEADLO Cn1cc([C@@H](O)CNC(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)cn1 ZINC000745488530 1078498054 /nfs/dbraw/zinc/49/80/54/1078498054.db2.gz VGBGUZXPOAGDHY-SJORKVTESA-N 1 2 409.893 2.382 20 0 HEADLO CCCCC[C@H](C)CC(=O)OCC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000745491900 1078507085 /nfs/dbraw/zinc/50/70/85/1078507085.db2.gz MWLRSPNEADTGQF-INIZCTEOSA-N 1 2 416.526 2.162 20 0 HEADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCC(CCN(C)C(=O)OC(C)(C)C)CC1 ZINC000769704570 1078528415 /nfs/dbraw/zinc/52/84/15/1078528415.db2.gz CTSBEOGMLBNAQL-KRWDZBQOSA-N 1 2 412.575 2.386 20 0 HEADLO CC(C)(C)[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(=O)NC1CCCC1 ZINC001109512506 1078532402 /nfs/dbraw/zinc/53/24/02/1078532402.db2.gz LCEGTDCHKVPCRY-DZVNLGKHSA-N 1 2 404.555 2.159 20 0 HEADLO CC(C)(C)[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(=O)NC1CCCC1 ZINC001109512506 1078532414 /nfs/dbraw/zinc/53/24/14/1078532414.db2.gz LCEGTDCHKVPCRY-DZVNLGKHSA-N 1 2 404.555 2.159 20 0 HEADLO O=C([O-])[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000769751704 1078539726 /nfs/dbraw/zinc/53/97/26/1078539726.db2.gz HJDUPEGCLUVDCQ-QFIPXVFZSA-N 1 2 422.529 2.496 20 0 HEADLO O=C([O-])[C@@H]1CCC[N@H+]1CC(=O)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000769751704 1078539733 /nfs/dbraw/zinc/53/97/33/1078539733.db2.gz HJDUPEGCLUVDCQ-QFIPXVFZSA-N 1 2 422.529 2.496 20 0 HEADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)CCNS(=O)(=O)/C=C/c2ccccc2)C1 ZINC000769771113 1078548669 /nfs/dbraw/zinc/54/86/69/1078548669.db2.gz DTEIKGVAHUVIFM-SPQRHKFCSA-N 1 2 402.520 2.107 20 0 HEADLO CN(C)c1ccc([NH+]2CCC(NC(=O)NCC(=O)NCc3ccccc3)CC2)cc1 ZINC000745611221 1078566850 /nfs/dbraw/zinc/56/68/50/1078566850.db2.gz ZZHZSJHAXGUTMU-UHFFFAOYSA-N 1 2 409.534 2.337 20 0 HEADLO CC(C)(CNC(=O)[C@@H]1CCCN(C(=O)OCc2ccccc2)C1)[NH+]1CCOCC1 ZINC000766333562 1078594204 /nfs/dbraw/zinc/59/42/04/1078594204.db2.gz XUVHSSQKMDDMEE-LJQANCHMSA-N 1 2 403.523 2.262 20 0 HEADLO C[C@@H](c1cccc(F)c1)[NH+]1CCN(CC(=O)NC2CCC3(CC2)OCCO3)CC1 ZINC000769919369 1078634994 /nfs/dbraw/zinc/63/49/94/1078634994.db2.gz UYSCKAVXPSBERH-KRWDZBQOSA-N 1 2 405.514 2.306 20 0 HEADLO CCc1noc(C)c1[C@H](C)[NH2+]Cc1ccccc1S(=O)(=O)N1CCN(C)CC1 ZINC000769870001 1078637494 /nfs/dbraw/zinc/63/74/94/1078637494.db2.gz AYWKKQNCSZPWFQ-HNNXBMFYSA-N 1 2 406.552 2.332 20 0 HEADLO C[C@H](NC(=O)N1CCC[C@H]1C[NH+]1CCOCC1)c1cccc(N2CCOC2=O)c1 ZINC000745781439 1078640148 /nfs/dbraw/zinc/64/01/48/1078640148.db2.gz OHJLLHQBYAJOKO-LPHOPBHVSA-N 1 2 402.495 2.210 20 0 HEADLO O=C(COC(=O)c1ccncc1Cl)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000745769280 1078647001 /nfs/dbraw/zinc/64/70/01/1078647001.db2.gz KTBHKHZUMVTDSW-UHFFFAOYSA-N 1 2 415.877 2.171 20 0 HEADLO CC(C)(C)OC(=O)N1CCCC[C@H](NC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)C1 ZINC000745819243 1078649092 /nfs/dbraw/zinc/64/90/92/1078649092.db2.gz YDZFHCFZBVNFGC-ZWKOTPCHSA-N 1 2 410.559 2.282 20 0 HEADLO Cn1ccnc1[C@@H](O)[C@@H]1CCCN(C(=O)NCc2ccccc2Cn2cc[nH+]c2)C1 ZINC000769962594 1078654266 /nfs/dbraw/zinc/65/42/66/1078654266.db2.gz CZXJGVQMIVBMBZ-UXHICEINSA-N 1 2 408.506 2.320 20 0 HEADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)NCc2ccc(-c3cccnc3)cc2)CC1 ZINC000745812826 1078657485 /nfs/dbraw/zinc/65/74/85/1078657485.db2.gz UHEYCYDMHXQSHD-UHFFFAOYSA-N 1 2 416.547 2.057 20 0 HEADLO CN(C)c1ccc([NH+]2CCC(NC(=O)NC[C@H](CO)Cc3ccco3)CC2)cc1 ZINC000745868194 1078668136 /nfs/dbraw/zinc/66/81/36/1078668136.db2.gz LVJYJYPITQKTRO-QGZVFWFLSA-N 1 2 400.523 2.465 20 0 HEADLO CN(C)C(=O)C1CCN(C(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)CC1 ZINC000745870608 1078668650 /nfs/dbraw/zinc/66/86/50/1078668650.db2.gz YSOUAWMRMHDPSI-UHFFFAOYSA-N 1 2 401.555 2.231 20 0 HEADLO CN(CC[NH+]1CCOCC1)C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC000745879413 1078682458 /nfs/dbraw/zinc/68/24/58/1078682458.db2.gz BCXOFFLBGGOKJA-GOSISDBHSA-N 1 2 406.527 2.226 20 0 HEADLO COC(=O)c1ccsc1N1CC[C@@H]([NH+]2CCC(C(=O)NCC(C)C)CC2)C1=O ZINC000745943018 1078707939 /nfs/dbraw/zinc/70/79/39/1078707939.db2.gz XWJBPUXOMBTLJS-MRXNPFEDSA-N 1 2 407.536 2.124 20 0 HEADLO COC(=O)c1ccccc1N(C)C(=O)C[N@H+](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000745944079 1078708695 /nfs/dbraw/zinc/70/86/95/1078708695.db2.gz ODLYQNOFXPPSQW-HNNXBMFYSA-N 1 2 405.495 2.377 20 0 HEADLO COC(=O)c1ccccc1N(C)C(=O)C[N@@H+](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000745944079 1078708701 /nfs/dbraw/zinc/70/87/01/1078708701.db2.gz ODLYQNOFXPPSQW-HNNXBMFYSA-N 1 2 405.495 2.377 20 0 HEADLO Cc1oc(NC(=O)C[N@@H+](C)[C@H]2CCN(C(=O)OC(C)(C)C)C2)c2c1c(C)n[nH]c2=O ZINC000745991082 1078723063 /nfs/dbraw/zinc/72/30/63/1078723063.db2.gz LUVOKQBFGRHJNL-ZDUSSCGKSA-N 1 2 419.482 2.425 20 0 HEADLO Cc1oc(NC(=O)C[N@H+](C)[C@H]2CCN(C(=O)OC(C)(C)C)C2)c2c1c(C)n[nH]c2=O ZINC000745991082 1078723068 /nfs/dbraw/zinc/72/30/68/1078723068.db2.gz LUVOKQBFGRHJNL-ZDUSSCGKSA-N 1 2 419.482 2.425 20 0 HEADLO Cn1ccnc1[C@H]1CCCN(C(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)C1 ZINC000770128847 1078741413 /nfs/dbraw/zinc/74/14/13/1078741413.db2.gz LKERPBBVKQNEHJ-KRWDZBQOSA-N 1 2 410.522 2.219 20 0 HEADLO Cn1ccnc1[C@@H]1CCCN(C(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)C1 ZINC000770128848 1078741478 /nfs/dbraw/zinc/74/14/78/1078741478.db2.gz LKERPBBVKQNEHJ-QGZVFWFLSA-N 1 2 410.522 2.219 20 0 HEADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000770216144 1078791002 /nfs/dbraw/zinc/79/10/02/1078791002.db2.gz ZLGUSSAXKNUCEG-UHFFFAOYSA-N 1 2 411.430 2.475 20 0 HEADLO O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)Nc1cccnc1Br ZINC000770288690 1078809313 /nfs/dbraw/zinc/80/93/13/1078809313.db2.gz CZNOOTCJIZLSNU-OAHLLOKOSA-N 1 2 401.330 2.174 20 0 HEADLO C[C@@H](CNC(=O)C[C@H](NC(=O)OC(C)(C)C)c1ccccc1)[NH+]1CCN(C)CC1 ZINC000746162090 1078812942 /nfs/dbraw/zinc/81/29/42/1078812942.db2.gz WKKXWFWRUMLJDR-HKUYNNGSSA-N 1 2 404.555 2.395 20 0 HEADLO CS(=O)(=O)CCOc1cccc(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccccn2)c1 ZINC000746197604 1078816132 /nfs/dbraw/zinc/81/61/32/1078816132.db2.gz PNIUSYCDVYWOQL-LJQANCHMSA-N 1 2 403.504 2.108 20 0 HEADLO CS(=O)(=O)CCOc1cccc(NC(=O)[C@H]2CCC[N@H+]2Cc2ccccn2)c1 ZINC000746197604 1078816137 /nfs/dbraw/zinc/81/61/37/1078816137.db2.gz PNIUSYCDVYWOQL-LJQANCHMSA-N 1 2 403.504 2.108 20 0 HEADLO C[C@H](NC(=O)C1(NC(=O)OC(C)(C)C)Cc2ccccc2C1)[C@H](C)[NH+]1CCOCC1 ZINC000746224568 1078826244 /nfs/dbraw/zinc/82/62/44/1078826244.db2.gz PLALOOZXWUJACD-IRXDYDNUSA-N 1 2 417.550 2.274 20 0 HEADLO CCCN(C(=O)c1cccs1)C1CCN(C(=O)NCC[N@@H+]2CCO[C@H](C)C2)CC1 ZINC000770370377 1078832491 /nfs/dbraw/zinc/83/24/91/1078832491.db2.gz RDKPOXGGIRGZQQ-QGZVFWFLSA-N 1 2 422.595 2.495 20 0 HEADLO CCCN(C(=O)c1cccs1)C1CCN(C(=O)NCC[N@H+]2CCO[C@H](C)C2)CC1 ZINC000770370377 1078832497 /nfs/dbraw/zinc/83/24/97/1078832497.db2.gz RDKPOXGGIRGZQQ-QGZVFWFLSA-N 1 2 422.595 2.495 20 0 HEADLO O=C(C[NH+]1CCN(c2ccccn2)CC1)N1CCC[C@H]1C[C@H](O)c1ccc(F)cc1 ZINC000746257200 1078834046 /nfs/dbraw/zinc/83/40/46/1078834046.db2.gz ZGUBKIOQCCLRQW-SFTDATJTSA-N 1 2 412.509 2.457 20 0 HEADLO COC(=O)c1ccccc1C[NH+]1CCN(c2ccc(NS(C)(=O)=O)cc2)CC1 ZINC000770379236 1078834205 /nfs/dbraw/zinc/83/42/05/1078834205.db2.gz IZFWQEJDBQCEEY-UHFFFAOYSA-N 1 2 403.504 2.167 20 0 HEADLO CCOC1CC(CNC(=O)Nc2ccc(F)c(NC(=O)OC)c2)([NH+]2CCOCC2)C1 ZINC000770390299 1078840864 /nfs/dbraw/zinc/84/08/64/1078840864.db2.gz IHDORLCLDMHKLZ-UHFFFAOYSA-N 1 2 424.473 2.395 20 0 HEADLO CCC1N=NC(=S)N1CCNC(=O)c1c2ccccc2nc2c1C[N@H+](CC)CC2 ZINC000746300850 1078847045 /nfs/dbraw/zinc/84/70/45/1078847045.db2.gz AOPQQZHLELLBRY-UHFFFAOYSA-N 1 2 410.547 2.485 20 0 HEADLO CCC1N=NC(=S)N1CCNC(=O)c1c2ccccc2nc2c1C[N@@H+](CC)CC2 ZINC000746300850 1078847047 /nfs/dbraw/zinc/84/70/47/1078847047.db2.gz AOPQQZHLELLBRY-UHFFFAOYSA-N 1 2 410.547 2.485 20 0 HEADLO O=C(CCc1cccc2c1OCO2)OCC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000770440538 1078855210 /nfs/dbraw/zinc/85/52/10/1078855210.db2.gz SEPPCQRPOFFMDH-UHFFFAOYSA-N 1 2 416.499 2.297 20 0 HEADLO Cc1ccc(C)c(OC2CC[NH+](CN3C(=O)C[C@H](Cc4cnn(C)c4)C3=O)CC2)c1 ZINC000746373554 1078881497 /nfs/dbraw/zinc/88/14/97/1078881497.db2.gz WFWXNUHKKKCCFS-IBGZPJMESA-N 1 2 410.518 2.455 20 0 HEADLO Cn1cc(C[C@H]2CC(=O)N(C[N@H+](CCc3ccccc3)Cc3ccncc3)C2=O)cn1 ZINC000746378430 1078884465 /nfs/dbraw/zinc/88/44/65/1078884465.db2.gz YEETVOKJMYMPPK-QFIPXVFZSA-N 1 2 417.513 2.435 20 0 HEADLO Cn1cc(C[C@H]2CC(=O)N(C[N@@H+](CCc3ccccc3)Cc3ccncc3)C2=O)cn1 ZINC000746378430 1078884467 /nfs/dbraw/zinc/88/44/67/1078884467.db2.gz YEETVOKJMYMPPK-QFIPXVFZSA-N 1 2 417.513 2.435 20 0 HEADLO O=C(COC[C@H]1CCCO1)N1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000746391319 1078892811 /nfs/dbraw/zinc/89/28/11/1078892811.db2.gz BUAZZPVSPXAPPQ-QGZVFWFLSA-N 1 2 402.413 2.425 20 0 HEADLO O=C(OCc1ccccc1)N1CC[C@H](C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)C1 ZINC000770568213 1078893455 /nfs/dbraw/zinc/89/34/55/1078893455.db2.gz KLOBANSVLRCUJM-SFTDATJTSA-N 1 2 415.534 2.358 20 0 HEADLO CCOC1CC(CNC(=O)Nc2cccnc2Br)([NH+]2CCOCC2)C1 ZINC000770592883 1078900446 /nfs/dbraw/zinc/90/04/46/1078900446.db2.gz GWYRWIVEKIUDDS-UHFFFAOYSA-N 1 2 413.316 2.236 20 0 HEADLO COc1ccc([C@@H](CNC(=O)c2cccc3[nH+]ccn32)N2CCOCC2)cc1OC ZINC000770644087 1078911089 /nfs/dbraw/zinc/91/10/89/1078911089.db2.gz MCNHHJFCGOUBEP-GOSISDBHSA-N 1 2 410.474 2.155 20 0 HEADLO CS(=O)(=O)c1cc(S(=O)(=O)N2CCC[C@H]2C[NH+]2CCCC2)c(Cl)s1 ZINC000770667767 1078925976 /nfs/dbraw/zinc/92/59/76/1078925976.db2.gz FXJXCSMBUSGSHF-NSHDSACASA-N 1 2 412.986 2.054 20 0 HEADLO CCCC(=CC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)CCC ZINC000770649892 1078937922 /nfs/dbraw/zinc/93/79/22/1078937922.db2.gz HPBMZFHYKGRXMG-UHFFFAOYSA-N 1 2 408.568 2.176 20 0 HEADLO O=C(CS[C@@H]1CCS(=O)(=O)C1)NC[C@H]([NH2+]Cc1ccccc1)c1ccco1 ZINC000804272043 1078947004 /nfs/dbraw/zinc/94/70/04/1078947004.db2.gz ZYTASINVWXYZSL-SJORKVTESA-N 1 2 408.545 2.147 20 0 HEADLO CO[C@@H](C)c1noc(C[N@@H+]2CCCN(c3ncnc4c3cnn4C(C)(C)C)CC2)n1 ZINC000766423395 1078976084 /nfs/dbraw/zinc/97/60/84/1078976084.db2.gz RTFGZXZKDLUOLP-AWEZNQCLSA-N 1 2 414.514 2.384 20 0 HEADLO CO[C@@H](C)c1noc(C[N@H+]2CCCN(c3ncnc4c3cnn4C(C)(C)C)CC2)n1 ZINC000766423395 1078976098 /nfs/dbraw/zinc/97/60/98/1078976098.db2.gz RTFGZXZKDLUOLP-AWEZNQCLSA-N 1 2 414.514 2.384 20 0 HEADLO CCc1nc(CN2CC[NH+](Cc3cc(=O)oc4cc(NC(C)=O)ccc34)CC2)no1 ZINC000746478513 1079034230 /nfs/dbraw/zinc/03/42/30/1079034230.db2.gz BPIRMOCDPSZHIP-UHFFFAOYSA-N 1 2 411.462 2.015 20 0 HEADLO CCOC1CC(CNC(=S)Nc2ccc(NC(C)=O)cc2)([NH+]2CCOCC2)C1 ZINC000766522076 1079067421 /nfs/dbraw/zinc/06/74/21/1079067421.db2.gz KMLATPLFQAVFGY-UHFFFAOYSA-N 1 2 406.552 2.201 20 0 HEADLO COc1ccc(CN2CC[C@@H]([N@@H+]3CCn4c(COC(C)C)nnc4C3)CC2=O)cc1 ZINC001168926695 1079069784 /nfs/dbraw/zinc/06/97/84/1079069784.db2.gz APOFJOVDKYSNNM-GOSISDBHSA-N 1 2 413.522 2.219 20 0 HEADLO COc1ccc(CN2CC[C@@H]([N@H+]3CCn4c(COC(C)C)nnc4C3)CC2=O)cc1 ZINC001168926695 1079069788 /nfs/dbraw/zinc/06/97/88/1079069788.db2.gz APOFJOVDKYSNNM-GOSISDBHSA-N 1 2 413.522 2.219 20 0 HEADLO CSC[C@@H](C(=O)OCc1cccc2[nH+]ccn21)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000770920518 1079080879 /nfs/dbraw/zinc/08/08/79/1079080879.db2.gz KAUACIUYCQPVDT-XHSDSOJGSA-N 1 2 401.488 2.284 20 0 HEADLO CSc1ccc(OC[C@H](O)C[N@@H+]2CCN(S(C)(=O)=O)c3ccccc3C2)cc1 ZINC001168958195 1079091866 /nfs/dbraw/zinc/09/18/66/1079091866.db2.gz PPQLGTJUKOGCOL-QGZVFWFLSA-N 1 2 422.572 2.430 20 0 HEADLO CSc1ccc(OC[C@H](O)C[N@H+]2CCN(S(C)(=O)=O)c3ccccc3C2)cc1 ZINC001168958195 1079091870 /nfs/dbraw/zinc/09/18/70/1079091870.db2.gz PPQLGTJUKOGCOL-QGZVFWFLSA-N 1 2 422.572 2.430 20 0 HEADLO CC(C)c1ccnc(N2CC[NH+](Cc3ccc(S(=O)(=O)NC4CC4)cc3)CC2)n1 ZINC001168957033 1079091294 /nfs/dbraw/zinc/09/12/94/1079091294.db2.gz BNBVQUPOKAXYDQ-UHFFFAOYSA-N 1 2 415.563 2.363 20 0 HEADLO O=C(CCOc1ccc(Cl)c(Cl)c1)N1CCO[C@H](C[NH+]2CCOCC2)C1 ZINC001168993870 1079095285 /nfs/dbraw/zinc/09/52/85/1079095285.db2.gz VYOSRHCALGPWQA-OAHLLOKOSA-N 1 2 403.306 2.322 20 0 HEADLO C[C@@H](C(=O)N1CCO[C@H](C[NH+]2CCOCC2)C1)c1ccc(Br)s1 ZINC001169001763 1079096512 /nfs/dbraw/zinc/09/65/12/1079096512.db2.gz GVIYACNJIJLQCK-CHWSQXEVSA-N 1 2 403.342 2.174 20 0 HEADLO NC(=O)[C@H]1CCCN1C(=O)c1cnc(NCCc2cn3ccccc3[nH+]2)c(Cl)c1 ZINC001169002919 1079096854 /nfs/dbraw/zinc/09/68/54/1079096854.db2.gz TYSBCDRWBSGHOG-MRXNPFEDSA-N 1 2 412.881 2.127 20 0 HEADLO O=C1[C@@H]([NH+]2CCN(CCn3cc(Cl)cn3)CC2)CCCN1Cc1ccccc1 ZINC001169015442 1079100360 /nfs/dbraw/zinc/10/03/60/1079100360.db2.gz XUIQZCGDLVCJLU-FQEVSTJZSA-N 1 2 401.942 2.345 20 0 HEADLO CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000771030878 1079109808 /nfs/dbraw/zinc/10/98/08/1079109808.db2.gz DNHOUTMMKAYCMJ-RTBURBONSA-N 1 2 403.523 2.056 20 0 HEADLO COC(=O)C1CCN(c2cc(NCc3cc(F)cc4c3OCOC4)[nH+]cn2)CC1 ZINC001169094437 1079127518 /nfs/dbraw/zinc/12/75/18/1079127518.db2.gz HTLMERBTCCTEKH-UHFFFAOYSA-N 1 2 402.426 2.484 20 0 HEADLO COC(=O)C1CCN(c2cc(NCc3cc(F)cc4c3OCOC4)nc[nH+]2)CC1 ZINC001169094437 1079127523 /nfs/dbraw/zinc/12/75/23/1079127523.db2.gz HTLMERBTCCTEKH-UHFFFAOYSA-N 1 2 402.426 2.484 20 0 HEADLO CCOC(=O)CC[N@H+](Cc1cccnc1)Cc1cc(Cl)cc(S(N)(=O)=O)c1 ZINC001169163305 1079171868 /nfs/dbraw/zinc/17/18/68/1079171868.db2.gz LYNUICDEWQWTLS-UHFFFAOYSA-N 1 2 411.911 2.338 20 0 HEADLO CCOC(=O)CC[N@@H+](Cc1cccnc1)Cc1cc(Cl)cc(S(N)(=O)=O)c1 ZINC001169163305 1079171872 /nfs/dbraw/zinc/17/18/72/1079171872.db2.gz LYNUICDEWQWTLS-UHFFFAOYSA-N 1 2 411.911 2.338 20 0 HEADLO O=C(Nc1c[nH]nc1[C@H]1CCC[N@H+](C[C@H]2CCCS2(=O)=O)C1)c1ccccc1 ZINC001169187946 1079177771 /nfs/dbraw/zinc/17/77/71/1079177771.db2.gz NRXRUXFHMOLGSQ-DLBZAZTESA-N 1 2 402.520 2.419 20 0 HEADLO O=C(Nc1c[nH]nc1[C@H]1CCC[N@@H+](C[C@H]2CCCS2(=O)=O)C1)c1ccccc1 ZINC001169187946 1079177774 /nfs/dbraw/zinc/17/77/74/1079177774.db2.gz NRXRUXFHMOLGSQ-DLBZAZTESA-N 1 2 402.520 2.419 20 0 HEADLO COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCn1c[nH+]cc1-c1ccccc1 ZINC001169169859 1079185524 /nfs/dbraw/zinc/18/55/24/1079185524.db2.gz YSUMOJQQXPCEEA-INIZCTEOSA-N 1 2 416.478 2.123 20 0 HEADLO C[C@H]1COCC[N@@H+]1CCNC(=O)N(CCNC(=O)OC(C)(C)C)Cc1ccccc1 ZINC000766633021 1079207904 /nfs/dbraw/zinc/20/79/04/1079207904.db2.gz SFESDIXVSFHKAD-SFHVURJKSA-N 1 2 420.554 2.444 20 0 HEADLO C[C@H]1COCC[N@H+]1CCNC(=O)N(CCNC(=O)OC(C)(C)C)Cc1ccccc1 ZINC000766633021 1079207912 /nfs/dbraw/zinc/20/79/12/1079207912.db2.gz SFESDIXVSFHKAD-SFHVURJKSA-N 1 2 420.554 2.444 20 0 HEADLO O=C(c1cc(I)ccc1O)N1CC[NH2+][C@@H](c2ccc(O)cc2)C1 ZINC001169239483 1079208709 /nfs/dbraw/zinc/20/87/09/1079208709.db2.gz JMCODSGXIKXIRE-OAHLLOKOSA-N 1 2 424.238 2.489 20 0 HEADLO COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)Nc2ccc3[nH]c(C)[nH+]c3c2)C1=O ZINC000771243072 1079225052 /nfs/dbraw/zinc/22/50/52/1079225052.db2.gz KMFKOTUOEYHLGA-NRFANRHFSA-N 1 2 407.430 2.286 20 0 HEADLO CCOC(=O)[C@@H]1CC[C@H]([N@H+]2Cc3c(cnn3CC)[C@@H](COc3cccnc3)C2)CO1 ZINC001169384587 1079256929 /nfs/dbraw/zinc/25/69/29/1079256929.db2.gz GEFZTBAOBKXDJR-WWMYMODYSA-N 1 2 414.506 2.387 20 0 HEADLO CCOC(=O)[C@@H]1CC[C@H]([N@@H+]2Cc3c(cnn3CC)[C@@H](COc3cccnc3)C2)CO1 ZINC001169384587 1079256935 /nfs/dbraw/zinc/25/69/35/1079256935.db2.gz GEFZTBAOBKXDJR-WWMYMODYSA-N 1 2 414.506 2.387 20 0 HEADLO CCOC(=O)[C@@H]1CC[C@@H]([N@@H+]2CCc3ncn(C)c3[C@H]2COCc2cccnc2)CO1 ZINC001169399710 1079273179 /nfs/dbraw/zinc/27/31/79/1079273179.db2.gz WJYRYYHEZPJINQ-RLLQIKCJSA-N 1 2 414.506 2.042 20 0 HEADLO CCOC(=O)[C@@H]1CC[C@@H]([N@H+]2CCc3ncn(C)c3[C@H]2COCc2cccnc2)CO1 ZINC001169399710 1079273189 /nfs/dbraw/zinc/27/31/89/1079273189.db2.gz WJYRYYHEZPJINQ-RLLQIKCJSA-N 1 2 414.506 2.042 20 0 HEADLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)CCNS(=O)(=O)/C=C/c1ccccc1 ZINC000771293646 1079267689 /nfs/dbraw/zinc/26/76/89/1079267689.db2.gz AOWJUWJHAVCMNB-PMXLPMHFSA-N 1 2 404.536 2.394 20 0 HEADLO CCOC(=O)[C@@H]1CC[C@@H]([N@H+]2Cc3ncn(C)c3[C@H](COCc3cccnc3)C2)CO1 ZINC001169397401 1079269374 /nfs/dbraw/zinc/26/93/74/1079269374.db2.gz NAHXZCACMQWACO-NSHGMRRFSA-N 1 2 414.506 2.042 20 0 HEADLO CCOC(=O)[C@@H]1CC[C@@H]([N@@H+]2Cc3ncn(C)c3[C@H](COCc3cccnc3)C2)CO1 ZINC001169397401 1079269384 /nfs/dbraw/zinc/26/93/84/1079269384.db2.gz NAHXZCACMQWACO-NSHGMRRFSA-N 1 2 414.506 2.042 20 0 HEADLO NC(=O)c1nc(Cl)nc(N[C@@H]2C[C@@H](C(=O)OCc3ccccc3)CCC[NH2+]2)c1F ZINC001169510690 1079317826 /nfs/dbraw/zinc/31/78/26/1079317826.db2.gz GHDFOFAYGUOFBP-QWHCGFSZSA-N 1 2 421.860 2.239 20 0 HEADLO Cc1cnc(S(C)(=O)=O)nc1N[C@@H]1C[C@H](C(=O)OCc2ccccc2)CCC[NH2+]1 ZINC001169518422 1079328749 /nfs/dbraw/zinc/32/87/49/1079328749.db2.gz ZBVJKUNFJSSTEM-IAGOWNOFSA-N 1 2 418.519 2.060 20 0 HEADLO O=C(N[C@H]1CCc2c[nH+]cn2C1)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 ZINC000804335016 1079370548 /nfs/dbraw/zinc/37/05/48/1079370548.db2.gz PHAWUDQCGAGFHY-QHSLDKKCSA-N 1 2 414.531 2.027 20 0 HEADLO O=C(Cn1cnc2sc(-c3ccccc3)cc2c1=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000804335343 1079382713 /nfs/dbraw/zinc/38/27/13/1079382713.db2.gz WVSCBOUTSAUWJJ-OAHLLOKOSA-N 1 2 405.483 2.453 20 0 HEADLO CC[C@@H](c1nnc(Sc2ncc(SC)cn2)n1CCN1CCOCC1)[NH+](C)C ZINC000804337691 1079389681 /nfs/dbraw/zinc/38/96/81/1079389681.db2.gz KBEBAROVIGQUGT-HNNXBMFYSA-N 1 2 423.612 2.286 20 0 HEADLO NC(=O)c1cc(OC2CC[NH+](Cn3c(=O)oc4cc(Cl)ccc43)CC2)ccn1 ZINC000771620932 1079403961 /nfs/dbraw/zinc/40/39/61/1079403961.db2.gz UQFHRTNAUTWMGW-UHFFFAOYSA-N 1 2 402.838 2.243 20 0 HEADLO C[C@@H](C(=O)Nc1nccs1)[N@H+](C)Cc1cccc(N2C[C@H](C)CS2(=O)=O)c1 ZINC001169809673 1079427356 /nfs/dbraw/zinc/42/73/56/1079427356.db2.gz BXFOIJORZXGUIE-KBPBESRZSA-N 1 2 408.549 2.388 20 0 HEADLO C[C@@H](C(=O)Nc1nccs1)[N@@H+](C)Cc1cccc(N2C[C@H](C)CS2(=O)=O)c1 ZINC001169809673 1079427365 /nfs/dbraw/zinc/42/73/65/1079427365.db2.gz BXFOIJORZXGUIE-KBPBESRZSA-N 1 2 408.549 2.388 20 0 HEADLO COc1ccc([C@@H](CNC(=O)NCCS(=O)(=O)CC2CC2)[NH+]2CCCCC2)cc1 ZINC000766838197 1079427437 /nfs/dbraw/zinc/42/74/37/1079427437.db2.gz NKUBZWJJDVORDQ-HXUWFJFHSA-N 1 2 423.579 2.346 20 0 HEADLO CCOC(=O)c1ccc(Br)c(S(=O)(=O)N2CC[N@H+](C)CC2(C)C)c1 ZINC000766856891 1079443088 /nfs/dbraw/zinc/44/30/88/1079443088.db2.gz PCWWYZCRVFABRE-UHFFFAOYSA-N 1 2 419.341 2.341 20 0 HEADLO CCOC(=O)c1ccc(Br)c(S(=O)(=O)N2CC[N@@H+](C)CC2(C)C)c1 ZINC000766856891 1079443098 /nfs/dbraw/zinc/44/30/98/1079443098.db2.gz PCWWYZCRVFABRE-UHFFFAOYSA-N 1 2 419.341 2.341 20 0 HEADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)c2ccc(Br)nc2)CC1 ZINC000746511731 1079456885 /nfs/dbraw/zinc/45/68/85/1079456885.db2.gz BQVFAPUOESIRKE-UHFFFAOYSA-N 1 2 403.280 2.484 20 0 HEADLO C[C@@H](NC(=S)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1)c1ccccc1 ZINC000737465997 1075909986 /nfs/dbraw/zinc/90/99/86/1075909986.db2.gz ZLWFTXBPRPIASF-QGZVFWFLSA-N 1 2 412.563 2.071 20 0 HEADLO C[C@@H](NC(=S)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1)c1ccccc1 ZINC000737465997 1075909998 /nfs/dbraw/zinc/90/99/98/1075909998.db2.gz ZLWFTXBPRPIASF-QGZVFWFLSA-N 1 2 412.563 2.071 20 0 HEADLO Cc1oc(-c2ccccc2F)nc1C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000737848146 1075931495 /nfs/dbraw/zinc/93/14/95/1075931495.db2.gz VRCCULRBYMSBTR-UHFFFAOYSA-N 1 2 409.483 2.028 20 0 HEADLO CCOC(=O)c1ccc(N2CCC[N@H+](CN3C[C@@H](c4ccccn4)CC3=O)CC2)nc1 ZINC000738109356 1075964825 /nfs/dbraw/zinc/96/48/25/1075964825.db2.gz AIFOTVNHZCXNTM-IBGZPJMESA-N 1 2 423.517 2.139 20 0 HEADLO CCOC(=O)c1ccc(N2CCC[N@@H+](CN3C[C@@H](c4ccccn4)CC3=O)CC2)nc1 ZINC000738109356 1075964830 /nfs/dbraw/zinc/96/48/30/1075964830.db2.gz AIFOTVNHZCXNTM-IBGZPJMESA-N 1 2 423.517 2.139 20 0 HEADLO C[C@@H]1C[N@H+](CN2C(=O)N[C@@](C)(c3ccc(OC(F)(F)F)cc3)C2=O)CCCO1 ZINC000738162221 1075971281 /nfs/dbraw/zinc/97/12/81/1075971281.db2.gz PBDHOWUYIXSVNV-PXAZEXFGSA-N 1 2 401.385 2.421 20 0 HEADLO C[C@@H]1C[N@@H+](CN2C(=O)N[C@@](C)(c3ccc(OC(F)(F)F)cc3)C2=O)CCCO1 ZINC000738162221 1075971284 /nfs/dbraw/zinc/97/12/84/1075971284.db2.gz PBDHOWUYIXSVNV-PXAZEXFGSA-N 1 2 401.385 2.421 20 0 HEADLO C[C@H]1C[N@H+](CN2C(=O)N[C@@](C)(c3ccc(OC(F)(F)F)cc3)C2=O)CCCO1 ZINC000738162224 1075971506 /nfs/dbraw/zinc/97/15/06/1075971506.db2.gz PBDHOWUYIXSVNV-SJCJKPOMSA-N 1 2 401.385 2.421 20 0 HEADLO C[C@H]1C[N@@H+](CN2C(=O)N[C@@](C)(c3ccc(OC(F)(F)F)cc3)C2=O)CCCO1 ZINC000738162224 1075971515 /nfs/dbraw/zinc/97/15/15/1075971515.db2.gz PBDHOWUYIXSVNV-SJCJKPOMSA-N 1 2 401.385 2.421 20 0 HEADLO COc1ccccc1[C@H]1CC[N@H+](CC(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)C1 ZINC000738339134 1075983938 /nfs/dbraw/zinc/98/39/38/1075983938.db2.gz GTPPMVARIAQYPH-BXFSZVDSSA-N 1 2 414.506 2.016 20 0 HEADLO COc1ccccc1[C@H]1CC[N@@H+](CC(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)C1 ZINC000738339134 1075983946 /nfs/dbraw/zinc/98/39/46/1075983946.db2.gz GTPPMVARIAQYPH-BXFSZVDSSA-N 1 2 414.506 2.016 20 0 HEADLO CN(CC1CC1)S(=O)(=O)N1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000738353391 1075997389 /nfs/dbraw/zinc/99/73/89/1075997389.db2.gz QKGMVCBOSSOKOF-UHFFFAOYSA-N 1 2 407.458 2.289 20 0 HEADLO CN(C)c1ccc(NC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)cc1Cl ZINC000738930420 1076029443 /nfs/dbraw/zinc/02/94/43/1076029443.db2.gz AIQBZLWZDDVETR-UHFFFAOYSA-N 1 2 414.901 2.437 20 0 HEADLO C[C@H]1COCCN1c1ccc(NC(=O)C(=O)NC2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000739067146 1076035841 /nfs/dbraw/zinc/03/58/41/1076035841.db2.gz KOEKQPVPODIFEK-KRWDZBQOSA-N 1 2 423.517 2.030 20 0 HEADLO C[C@H]1COCCN1c1ccc(NC(=O)C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000739070976 1076038173 /nfs/dbraw/zinc/03/81/73/1076038173.db2.gz ZOJUXWLZVCAQJN-IBGZPJMESA-N 1 2 422.529 2.195 20 0 HEADLO Cc1ccc([C@H](C)NC(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)s1 ZINC000738990655 1076040143 /nfs/dbraw/zinc/04/01/43/1076040143.db2.gz SEGWCEHRSDATPP-INIZCTEOSA-N 1 2 416.551 2.276 20 0 HEADLO Cc1ccc([C@H](C)NC(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)s1 ZINC000738990655 1076040149 /nfs/dbraw/zinc/04/01/49/1076040149.db2.gz SEGWCEHRSDATPP-INIZCTEOSA-N 1 2 416.551 2.276 20 0 HEADLO COC[C@@H]1CC[N@H+](Cn2nc(N3CCOCC3)n(-c3cccc(F)c3)c2=S)C1 ZINC000739874862 1076084758 /nfs/dbraw/zinc/08/47/58/1076084758.db2.gz XQBQEGRBKNFGPC-OAHLLOKOSA-N 1 2 407.515 2.305 20 0 HEADLO COC[C@@H]1CC[N@@H+](Cn2nc(N3CCOCC3)n(-c3cccc(F)c3)c2=S)C1 ZINC000739874862 1076084764 /nfs/dbraw/zinc/08/47/64/1076084764.db2.gz XQBQEGRBKNFGPC-OAHLLOKOSA-N 1 2 407.515 2.305 20 0 HEADLO O=C(CC[N@@H+]1CCn2c(nnc2C(F)(F)F)C1)Nc1ccccc1C(=O)NC1CC1 ZINC000739930229 1076094260 /nfs/dbraw/zinc/09/42/60/1076094260.db2.gz KMTARAUYHOANLV-UHFFFAOYSA-N 1 2 422.411 2.034 20 0 HEADLO O=C(CC[N@H+]1CCn2c(nnc2C(F)(F)F)C1)Nc1ccccc1C(=O)NC1CC1 ZINC000739930229 1076094266 /nfs/dbraw/zinc/09/42/66/1076094266.db2.gz KMTARAUYHOANLV-UHFFFAOYSA-N 1 2 422.411 2.034 20 0 HEADLO O=C(NCCCNc1cccc[nH+]1)NC[C@@H](O)c1cc(Cl)c2c(c1)OCCO2 ZINC000740058479 1076099236 /nfs/dbraw/zinc/09/92/36/1076099236.db2.gz WGBQWZOHPVFICX-OAHLLOKOSA-N 1 2 406.870 2.341 20 0 HEADLO COC(=O)N1CCC[C@H](NC(=O)N[C@H](c2ccc(Cl)cc2)[C@H]2C[N@H+](C)CCO2)C1 ZINC000766253989 1076157255 /nfs/dbraw/zinc/15/72/55/1076157255.db2.gz YZUBCPAVGHKQNL-RCCFBDPRSA-N 1 2 424.929 2.242 20 0 HEADLO COC(=O)N1CCC[C@H](NC(=O)N[C@H](c2ccc(Cl)cc2)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000766253989 1076157258 /nfs/dbraw/zinc/15/72/58/1076157258.db2.gz YZUBCPAVGHKQNL-RCCFBDPRSA-N 1 2 424.929 2.242 20 0 HEADLO O=C(NCC[NH+]1CCN(c2ccccc2)CC1)C(=O)Nc1ccnn1C1CCCCC1 ZINC000740757690 1076228896 /nfs/dbraw/zinc/22/88/96/1076228896.db2.gz UJHXYKSVDKCLSG-UHFFFAOYSA-N 1 2 424.549 2.265 20 0 HEADLO C[C@H](C(=O)NC[C@@H](O)c1c(F)cccc1F)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000740935898 1076315125 /nfs/dbraw/zinc/31/51/25/1076315125.db2.gz QIHOWENKBIINQS-AUUYWEPGSA-N 1 2 407.436 2.464 20 0 HEADLO O=C(NCc1ccccc1OCC[NH+]1CCOCC1)N[C@H](CCO)c1cccs1 ZINC000741083778 1076357180 /nfs/dbraw/zinc/35/71/80/1076357180.db2.gz ZDSGTQVENZLSGN-GOSISDBHSA-N 1 2 419.547 2.382 20 0 HEADLO Cc1occc1-c1cc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)n(CCO)n1 ZINC000741184788 1076399244 /nfs/dbraw/zinc/39/92/44/1076399244.db2.gz OJGIQZCQMYSRDL-FQEVSTJZSA-N 1 2 410.474 2.283 20 0 HEADLO Cc1occc1-c1cc(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)n(CCO)n1 ZINC000741184788 1076399247 /nfs/dbraw/zinc/39/92/47/1076399247.db2.gz OJGIQZCQMYSRDL-FQEVSTJZSA-N 1 2 410.474 2.283 20 0 HEADLO COc1cc(C[N@H+](C)CC(=O)N2CCC3(CC2)OCCO3)c(SC)cc1OC ZINC000741251756 1076420728 /nfs/dbraw/zinc/42/07/28/1076420728.db2.gz LSSIDNBRLIXVGW-UHFFFAOYSA-N 1 2 410.536 2.223 20 0 HEADLO COc1cc(C[N@@H+](C)CC(=O)N2CCC3(CC2)OCCO3)c(SC)cc1OC ZINC000741251756 1076420730 /nfs/dbraw/zinc/42/07/30/1076420730.db2.gz LSSIDNBRLIXVGW-UHFFFAOYSA-N 1 2 410.536 2.223 20 0 HEADLO CCO[C@H]1C[C@@H](O)C12CC[NH+](Cc1nnnn1-c1ccc(OC(F)F)cc1)CC2 ZINC000741255281 1076445617 /nfs/dbraw/zinc/44/56/17/1076445617.db2.gz HNQVTUOURYSDIK-CVEARBPZSA-N 1 2 409.437 2.016 20 0 HEADLO CCOC(=O)[C@@H]1CCCN(C(=O)COC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC000741350182 1076491207 /nfs/dbraw/zinc/49/12/07/1076491207.db2.gz HSJIDSADBDQDQG-UXHICEINSA-N 1 2 416.518 2.386 20 0 HEADLO CCOC(=O)[C@@H]1CCCN(C(=O)COC(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC000741350182 1076491208 /nfs/dbraw/zinc/49/12/08/1076491208.db2.gz HSJIDSADBDQDQG-UXHICEINSA-N 1 2 416.518 2.386 20 0 HEADLO O=C(COC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000741356946 1076494623 /nfs/dbraw/zinc/49/46/23/1076494623.db2.gz RSLJBMFNWIYMIR-KRWDZBQOSA-N 1 2 424.457 2.041 20 0 HEADLO O=C(COC(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000741356946 1076494629 /nfs/dbraw/zinc/49/46/29/1076494629.db2.gz RSLJBMFNWIYMIR-KRWDZBQOSA-N 1 2 424.457 2.041 20 0 HEADLO C[C@H](OC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000741387819 1076495538 /nfs/dbraw/zinc/49/55/38/1076495538.db2.gz QEQFMTLXFZTNJO-YWZLYKJASA-N 1 2 412.442 2.187 20 0 HEADLO C[C@H](OC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000741387819 1076495542 /nfs/dbraw/zinc/49/55/42/1076495542.db2.gz QEQFMTLXFZTNJO-YWZLYKJASA-N 1 2 412.442 2.187 20 0 HEADLO C[C@@H](OC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1)C(=O)NCc1ccc(F)cc1 ZINC000741387475 1076496215 /nfs/dbraw/zinc/49/62/15/1076496215.db2.gz YHJFJEPEASKTKG-UZLBHIALSA-N 1 2 400.450 2.275 20 0 HEADLO C[C@@H](OC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)C(=O)NCc1ccc(F)cc1 ZINC000741387475 1076496220 /nfs/dbraw/zinc/49/62/20/1076496220.db2.gz YHJFJEPEASKTKG-UZLBHIALSA-N 1 2 400.450 2.275 20 0 HEADLO O=C(COC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1)N[C@H]1CCOc2ccccc21 ZINC000741376771 1076504087 /nfs/dbraw/zinc/50/40/87/1076504087.db2.gz FLWYTJPNPRPYPZ-FPOVZHCZSA-N 1 2 410.470 2.071 20 0 HEADLO O=C(COC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N[C@H]1CCOc2ccccc21 ZINC000741376771 1076504090 /nfs/dbraw/zinc/50/40/90/1076504090.db2.gz FLWYTJPNPRPYPZ-FPOVZHCZSA-N 1 2 410.470 2.071 20 0 HEADLO Nc1nc(COC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)nc(Nc2ccccc2)n1 ZINC000741381710 1076505854 /nfs/dbraw/zinc/50/58/54/1076505854.db2.gz JXRDNPHETZPFBO-SFHVURJKSA-N 1 2 420.473 2.142 20 0 HEADLO Nc1nc(COC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)nc(Nc2ccccc2)n1 ZINC000741381710 1076505860 /nfs/dbraw/zinc/50/58/60/1076505860.db2.gz JXRDNPHETZPFBO-SFHVURJKSA-N 1 2 420.473 2.142 20 0 HEADLO COC(=O)c1cccn2cc(COC(=O)[C@H]3C[N@H+](Cc4ccccc4)CCO3)nc12 ZINC000741382472 1076506824 /nfs/dbraw/zinc/50/68/24/1076506824.db2.gz IFHULSQQEOQRMM-LJQANCHMSA-N 1 2 409.442 2.065 20 0 HEADLO COC(=O)c1cccn2cc(COC(=O)[C@H]3C[N@@H+](Cc4ccccc4)CCO3)nc12 ZINC000741382472 1076506826 /nfs/dbraw/zinc/50/68/26/1076506826.db2.gz IFHULSQQEOQRMM-LJQANCHMSA-N 1 2 409.442 2.065 20 0 HEADLO CCN(C(C)=O)c1nc(COC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)cs1 ZINC000741383823 1076508036 /nfs/dbraw/zinc/50/80/36/1076508036.db2.gz NEHPZLOLNBJZEN-GOSISDBHSA-N 1 2 403.504 2.460 20 0 HEADLO CCN(C(C)=O)c1nc(COC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cs1 ZINC000741383823 1076508046 /nfs/dbraw/zinc/50/80/46/1076508046.db2.gz NEHPZLOLNBJZEN-GOSISDBHSA-N 1 2 403.504 2.460 20 0 HEADLO COc1ccccc1[C@@H](C)NC(=O)COC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000741385011 1076508333 /nfs/dbraw/zinc/50/83/33/1076508333.db2.gz YVFAYODJTJSDSV-DYESRHJHSA-N 1 2 412.486 2.317 20 0 HEADLO COc1ccccc1[C@@H](C)NC(=O)COC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000741385011 1076508338 /nfs/dbraw/zinc/50/83/38/1076508338.db2.gz YVFAYODJTJSDSV-DYESRHJHSA-N 1 2 412.486 2.317 20 0 HEADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)C1CCCCCCC1 ZINC000741542122 1076543035 /nfs/dbraw/zinc/54/30/35/1076543035.db2.gz YXYAVQQIWRQTIN-UHFFFAOYSA-N 1 2 408.568 2.010 20 0 HEADLO Cc1cc(C(=O)NCC[N@H+]2CCOC[C@H]2C)cc(C)c1OCC(=O)N1CCCCC1 ZINC000741688103 1076586663 /nfs/dbraw/zinc/58/66/63/1076586663.db2.gz XIUWWJGAPHPVCG-LJQANCHMSA-N 1 2 417.550 2.145 20 0 HEADLO Cc1cc(C(=O)NCC[N@@H+]2CCOC[C@H]2C)cc(C)c1OCC(=O)N1CCCCC1 ZINC000741688103 1076586675 /nfs/dbraw/zinc/58/66/75/1076586675.db2.gz XIUWWJGAPHPVCG-LJQANCHMSA-N 1 2 417.550 2.145 20 0 HEADLO CN(C(=O)c1ccc2c(c1)[nH]c(=S)n(Cc1ccco1)c2=O)[C@H]1CCC[N@H+](C)C1 ZINC000741720633 1076593444 /nfs/dbraw/zinc/59/34/44/1076593444.db2.gz SWEPILHFBDDPSN-HNNXBMFYSA-N 1 2 412.515 2.493 20 0 HEADLO CN(C(=O)c1ccc2c(c1)[nH]c(=S)n(Cc1ccco1)c2=O)[C@H]1CCC[N@@H+](C)C1 ZINC000741720633 1076593459 /nfs/dbraw/zinc/59/34/59/1076593459.db2.gz SWEPILHFBDDPSN-HNNXBMFYSA-N 1 2 412.515 2.493 20 0 HEADLO O=C1O[C@H](C[NH+]2CCN([C@@H]3CCN(c4ccccc4)C3=O)CC2)CN1c1ccccc1 ZINC000741788447 1076627915 /nfs/dbraw/zinc/62/79/15/1076627915.db2.gz WVHZERIUWASNBN-FGZHOGPDSA-N 1 2 420.513 2.435 20 0 HEADLO C[C@@H]1Cc2ccccc2C[N@@H+]1CC(=O)NN1C(=O)N[C@@](C)(CCc2ccccc2)C1=O ZINC000741797687 1076640258 /nfs/dbraw/zinc/64/02/58/1076640258.db2.gz OJAWOPVVMMRBIL-OSPHWJPCSA-N 1 2 420.513 2.408 20 0 HEADLO C[C@@H]1Cc2ccccc2C[N@H+]1CC(=O)NN1C(=O)N[C@@](C)(CCc2ccccc2)C1=O ZINC000741797687 1076640271 /nfs/dbraw/zinc/64/02/71/1076640271.db2.gz OJAWOPVVMMRBIL-OSPHWJPCSA-N 1 2 420.513 2.408 20 0 HEADLO COc1cccc(OC)c1OC[C@H](O)C[N@@H+]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000741800067 1076641066 /nfs/dbraw/zinc/64/10/66/1076641066.db2.gz VPDZPTGILAKFPQ-JKSUJKDBSA-N 1 2 410.511 2.385 20 0 HEADLO COc1cccc(OC)c1OC[C@H](O)C[N@H+]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000741800067 1076641070 /nfs/dbraw/zinc/64/10/70/1076641070.db2.gz VPDZPTGILAKFPQ-JKSUJKDBSA-N 1 2 410.511 2.385 20 0 HEADLO C[C@@H]1CN(CC(=O)N2CC[NH+](Cc3ccsc3)CC2)CCN1C(=O)OC(C)(C)C ZINC000741803742 1076643130 /nfs/dbraw/zinc/64/31/30/1076643130.db2.gz IGBPAVCHLKHOTN-QGZVFWFLSA-N 1 2 422.595 2.334 20 0 HEADLO CN(C)c1ccc([NH+]2CCC(NC(=O)[C@H]3CC(=O)N(Cc4ccco4)C3)CC2)cc1 ZINC000741982397 1076702408 /nfs/dbraw/zinc/70/24/08/1076702408.db2.gz UUMAJNNENMLKJK-KRWDZBQOSA-N 1 2 410.518 2.479 20 0 HEADLO CN(C)c1ccc([NH+]2CCC(NC(=O)c3ccc(CS(C)(=O)=O)o3)CC2)cc1 ZINC000741983737 1076702880 /nfs/dbraw/zinc/70/28/80/1076702880.db2.gz OZYDFFVXHUHWSP-UHFFFAOYSA-N 1 2 405.520 2.289 20 0 HEADLO CN(C)c1ccc([NH+]2CCC(NC(=O)Cn3c(=O)cnc4ccccc43)CC2)cc1 ZINC000741982083 1076702916 /nfs/dbraw/zinc/70/29/16/1076702916.db2.gz HNOKDSNJPCDVFZ-UHFFFAOYSA-N 1 2 405.502 2.248 20 0 HEADLO CCC(CC)[C@H](C(=O)Nc1cccc(OCCS(C)(=O)=O)c1)[NH+]1CCOCC1 ZINC000742062307 1076732110 /nfs/dbraw/zinc/73/21/10/1076732110.db2.gz MOXXCHIVEAPZJY-LJQANCHMSA-N 1 2 412.552 2.186 20 0 HEADLO C[C@H]1SCC[N@H+](CN2C(=O)NC3(CCN(C(=O)OC(C)(C)C)CC3)C2=O)[C@H]1C ZINC000742148758 1076765645 /nfs/dbraw/zinc/76/56/45/1076765645.db2.gz CNYRIQJECBYOEG-UONOGXRCSA-N 1 2 412.556 2.091 20 0 HEADLO C[C@H]1SCC[N@@H+](CN2C(=O)NC3(CCN(C(=O)OC(C)(C)C)CC3)C2=O)[C@H]1C ZINC000742148758 1076765651 /nfs/dbraw/zinc/76/56/51/1076765651.db2.gz CNYRIQJECBYOEG-UONOGXRCSA-N 1 2 412.556 2.091 20 0 HEADLO O=C(CSc1nnc(C[NH+]2CCCC2)n1-c1ccccc1)N[C@@H]1CCSC1=O ZINC000742204565 1076791017 /nfs/dbraw/zinc/79/10/17/1076791017.db2.gz CEUJXPPKZBANEL-OAHLLOKOSA-N 1 2 417.560 2.104 20 0 HEADLO O=C(C[N@@H+]1CCCN(C(=O)c2cc(OCc3ccccc3)ccn2)CC1)N1CCCC1 ZINC000742669066 1076862776 /nfs/dbraw/zinc/86/27/76/1076862776.db2.gz FSRRGGNWIOMPJG-UHFFFAOYSA-N 1 2 422.529 2.431 20 0 HEADLO O=C(C[N@H+]1CCCN(C(=O)c2cc(OCc3ccccc3)ccn2)CC1)N1CCCC1 ZINC000742669066 1076862777 /nfs/dbraw/zinc/86/27/77/1076862777.db2.gz FSRRGGNWIOMPJG-UHFFFAOYSA-N 1 2 422.529 2.431 20 0 HEADLO S=C(Nc1ccc(Cl)cc1)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000737465784 1076873292 /nfs/dbraw/zinc/87/32/92/1076873292.db2.gz WDNOYMYEKRIROF-UHFFFAOYSA-N 1 2 418.954 2.486 20 0 HEADLO S=C(Nc1ccc(Cl)cc1)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000737465784 1076873293 /nfs/dbraw/zinc/87/32/93/1076873293.db2.gz WDNOYMYEKRIROF-UHFFFAOYSA-N 1 2 418.954 2.486 20 0 HEADLO S=C(Nc1ccccc1Cl)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000737465785 1076873329 /nfs/dbraw/zinc/87/33/29/1076873329.db2.gz WDNUDYOYYHCBGC-UHFFFAOYSA-N 1 2 418.954 2.486 20 0 HEADLO S=C(Nc1ccccc1Cl)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000737465785 1076873331 /nfs/dbraw/zinc/87/33/31/1076873331.db2.gz WDNUDYOYYHCBGC-UHFFFAOYSA-N 1 2 418.954 2.486 20 0 HEADLO CC(C)(C)OC(=O)NCc1nc(C(=O)N2CCC[C@H]2C[NH+]2CCOCC2)cs1 ZINC000742762024 1076874948 /nfs/dbraw/zinc/87/49/48/1076874948.db2.gz LLMFZBHBRIDDGG-AWEZNQCLSA-N 1 2 410.540 2.105 20 0 HEADLO Cn1cc[nH+]c1C[C@H](NC(=O)C[C@](O)(c1nccn1C)C(F)(F)F)c1ccccc1 ZINC000742858763 1076889562 /nfs/dbraw/zinc/88/95/62/1076889562.db2.gz NSKVMBDGADMHNW-KXBFYZLASA-N 1 2 421.423 2.394 20 0 HEADLO COC(=O)CCN(C(=O)CSCc1cn2cc(C)ccc2[nH+]1)C1CCOCC1 ZINC000742961081 1076906202 /nfs/dbraw/zinc/90/62/02/1076906202.db2.gz HMCSPOMBJSMGFT-UHFFFAOYSA-N 1 2 405.520 2.447 20 0 HEADLO C[N@H+](CC(=O)NCCN1C(=O)S/C(=C\c2cccnc2)C1=O)Cc1ccsc1 ZINC000743272455 1077021362 /nfs/dbraw/zinc/02/13/62/1077021362.db2.gz HMJHUYUTSILTDW-SXGWCWSVSA-N 1 2 416.528 2.428 20 0 HEADLO C[N@@H+](CC(=O)NCCN1C(=O)S/C(=C\c2cccnc2)C1=O)Cc1ccsc1 ZINC000743272455 1077021368 /nfs/dbraw/zinc/02/13/68/1077021368.db2.gz HMJHUYUTSILTDW-SXGWCWSVSA-N 1 2 416.528 2.428 20 0 HEADLO CCC(CC)[C@@H](C(=O)N1Cc2c(OC)ccc(OC)c2[C@@H](O)C1)[NH+]1CCOCC1 ZINC000743290591 1077025637 /nfs/dbraw/zinc/02/56/37/1077025637.db2.gz MVINZXGRBKIMAT-UWJYYQICSA-N 1 2 406.523 2.216 20 0 HEADLO C[C@@H]1C[N@H+](CN2C(=O)N[C@]3(CCCC[C@H]3CNC(=O)OC(C)(C)C)C2=O)CCCO1 ZINC000743368591 1077033693 /nfs/dbraw/zinc/03/36/93/1077033693.db2.gz QJCQKHNTAOZCSV-XFQAVAEZSA-N 1 2 424.542 2.060 20 0 HEADLO C[C@@H]1C[N@@H+](CN2C(=O)N[C@]3(CCCC[C@H]3CNC(=O)OC(C)(C)C)C2=O)CCCO1 ZINC000743368591 1077033698 /nfs/dbraw/zinc/03/36/98/1077033698.db2.gz QJCQKHNTAOZCSV-XFQAVAEZSA-N 1 2 424.542 2.060 20 0 HEADLO C[C@@H]1C[N@@H+](CN2C(=O)N[C@](C)(CCc3ccc4c(c3)OCO4)C2=O)C[C@H](C)S1 ZINC000743374985 1077035489 /nfs/dbraw/zinc/03/54/89/1077035489.db2.gz DWJOHVWYVRHCFP-LAPQFRIASA-N 1 2 405.520 2.442 20 0 HEADLO C[C@@H]1C[N@H+](CN2C(=O)N[C@](C)(CCc3ccc4c(c3)OCO4)C2=O)C[C@H](C)S1 ZINC000743374985 1077035496 /nfs/dbraw/zinc/03/54/96/1077035496.db2.gz DWJOHVWYVRHCFP-LAPQFRIASA-N 1 2 405.520 2.442 20 0 HEADLO Cc1ccc(CC[N@H+](C[C@H]2CCCO2)CN2C(=O)C(=O)N(CC(C)C)C2=O)cc1 ZINC000743389278 1077039803 /nfs/dbraw/zinc/03/98/03/1077039803.db2.gz VQCINGWYRBZTER-LJQANCHMSA-N 1 2 401.507 2.423 20 0 HEADLO Cc1ccc(CC[N@@H+](C[C@H]2CCCO2)CN2C(=O)C(=O)N(CC(C)C)C2=O)cc1 ZINC000743389278 1077039810 /nfs/dbraw/zinc/03/98/10/1077039810.db2.gz VQCINGWYRBZTER-LJQANCHMSA-N 1 2 401.507 2.423 20 0 HEADLO CC[C@H]1C[N@H+](CN2C(=O)N[C@](C)(c3cccc(N4CCOC4=O)c3)C2=O)CCS1 ZINC000743399912 1077043005 /nfs/dbraw/zinc/04/30/05/1077043005.db2.gz GPBKODINBFANDH-OXJNMPFZSA-N 1 2 418.519 2.195 20 0 HEADLO CC[C@H]1C[N@@H+](CN2C(=O)N[C@](C)(c3cccc(N4CCOC4=O)c3)C2=O)CCS1 ZINC000743399912 1077043009 /nfs/dbraw/zinc/04/30/09/1077043009.db2.gz GPBKODINBFANDH-OXJNMPFZSA-N 1 2 418.519 2.195 20 0 HEADLO CC(C)(C)OC(=O)NC[C@H]1CCCC[C@@H]1NC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000743504397 1077058723 /nfs/dbraw/zinc/05/87/23/1077058723.db2.gz DFLAIKTUOBYTGY-SJORKVTESA-N 1 2 412.575 2.480 20 0 HEADLO CN(C)c1ccc([NH+]2CCC(NC(=O)NCCCN3CCCCC3=O)CC2)cc1 ZINC000743595375 1077078000 /nfs/dbraw/zinc/07/80/00/1077078000.db2.gz ACMJXPLVFUWCDQ-UHFFFAOYSA-N 1 2 401.555 2.423 20 0 HEADLO Cc1ccc(C(C)(C)CN(C)C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)cc1 ZINC000743603138 1077078773 /nfs/dbraw/zinc/07/87/73/1077078773.db2.gz XCXJIPQUIUDEQD-UHFFFAOYSA-N 1 2 409.596 2.423 20 0 HEADLO C[C@H]([C@H](C)NC(=O)N[C@@H]1CCCC[C@H]1CNC(=O)OC(C)(C)C)[NH+]1CCOCC1 ZINC000743627083 1077082837 /nfs/dbraw/zinc/08/28/37/1077082837.db2.gz SFXLOZKFVBDCCD-XWTMOSNGSA-N 1 2 412.575 2.478 20 0 HEADLO CS(=O)(=O)c1ccc(OCC[N@@H+]2CCc3c(cccc3N3CCOC3=O)C2)cc1 ZINC000743857167 1077144301 /nfs/dbraw/zinc/14/43/01/1077144301.db2.gz ASBPSJJRISWWQC-UHFFFAOYSA-N 1 2 416.499 2.484 20 0 HEADLO CS(=O)(=O)c1ccc(OCC[N@H+]2CCc3c(cccc3N3CCOC3=O)C2)cc1 ZINC000743857167 1077144304 /nfs/dbraw/zinc/14/43/04/1077144304.db2.gz ASBPSJJRISWWQC-UHFFFAOYSA-N 1 2 416.499 2.484 20 0 HEADLO O=C(C[N@@H+]1CCc2c(cccc2N2CCOC2=O)C1)NC(=O)NCc1cccs1 ZINC000743858350 1077144827 /nfs/dbraw/zinc/14/48/27/1077144827.db2.gz SCVOMRPBEZBIPK-UHFFFAOYSA-N 1 2 414.487 2.089 20 0 HEADLO O=C(C[N@H+]1CCc2c(cccc2N2CCOC2=O)C1)NC(=O)NCc1cccs1 ZINC000743858350 1077144836 /nfs/dbraw/zinc/14/48/36/1077144836.db2.gz SCVOMRPBEZBIPK-UHFFFAOYSA-N 1 2 414.487 2.089 20 0 HEADLO COC(=O)c1c(C)c(C)sc1NC(=O)C(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000743902135 1077214926 /nfs/dbraw/zinc/21/49/26/1077214926.db2.gz VHLLRXGDQGUVDW-UHFFFAOYSA-N 1 2 405.476 2.427 20 0 HEADLO CN(C)c1ccc([NH+]2CCC(NC(=O)C(=O)Nc3ccc4n[nH]cc4c3)CC2)cc1 ZINC000743945483 1077239058 /nfs/dbraw/zinc/23/90/58/1077239058.db2.gz YSZVYUDTZVSCDR-UHFFFAOYSA-N 1 2 406.490 2.353 20 0 HEADLO CN(C)c1ccc([NH+]2CCC(NC(=O)C(=O)Nc3ccc4c(c3)OCO4)CC2)cc1 ZINC000743945490 1077239097 /nfs/dbraw/zinc/23/90/97/1077239097.db2.gz ZCDBTXDSBKNDKN-UHFFFAOYSA-N 1 2 410.474 2.205 20 0 HEADLO O=C(NCc1ccccc1OCC[NH+]1CCOCC1)NC[C@@H]1CC1(Cl)Cl ZINC000744291683 1077357559 /nfs/dbraw/zinc/35/75/59/1077357559.db2.gz FQDPFUKZJKPDHR-HNNXBMFYSA-N 1 2 402.322 2.391 20 0 HEADLO CC(C)(C)OC(=O)N[C@@H]1CC[N@H+](CN2CC3(CN(C(=O)OC(C)(C)C)C3)CC2=O)C1 ZINC000744435987 1077385111 /nfs/dbraw/zinc/38/51/11/1077385111.db2.gz XCIHYKOZQYCSRP-OAHLLOKOSA-N 1 2 424.542 2.012 20 0 HEADLO CC(C)(C)OC(=O)N[C@@H]1CC[N@@H+](CN2CC3(CN(C(=O)OC(C)(C)C)C3)CC2=O)C1 ZINC000744435987 1077385116 /nfs/dbraw/zinc/38/51/16/1077385116.db2.gz XCIHYKOZQYCSRP-OAHLLOKOSA-N 1 2 424.542 2.012 20 0 HEADLO CCOC(=O)C1=C(C[NH+]2CCC(OCC3CC3)CC2)NC(=O)N[C@@H]1c1ccco1 ZINC000744429473 1077391262 /nfs/dbraw/zinc/39/12/62/1077391262.db2.gz VYGXLGLVAALUSB-LJQANCHMSA-N 1 2 403.479 2.342 20 0 HEADLO CC(C)C[C@H]1CC(=O)N(C[NH+]2CCC(N(CC(F)(F)F)S(C)(=O)=O)CC2)C1 ZINC000744434978 1077392994 /nfs/dbraw/zinc/39/29/94/1077392994.db2.gz LWMYQCGRDNOXGU-AWEZNQCLSA-N 1 2 413.506 2.127 20 0 HEADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)c2cc(Oc3ccccc3)ccn2)CC1 ZINC000744509348 1077425917 /nfs/dbraw/zinc/42/59/17/1077425917.db2.gz KEBCCRRJNFPXNO-UHFFFAOYSA-N 1 2 403.504 2.113 20 0 HEADLO C[C@]1(C(=O)O[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2OC(=O)[C@@]2(C)CCCO2)CCCO1 ZINC000766321007 1077446329 /nfs/dbraw/zinc/44/63/29/1077446329.db2.gz QQDOYFJBBLNLOH-IYRWYFENSA-N 1 2 417.502 2.464 20 0 HEADLO C[C@]1(C(=O)O[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2OC(=O)[C@@]2(C)CCCO2)CCCO1 ZINC000766321007 1077446344 /nfs/dbraw/zinc/44/63/44/1077446344.db2.gz QQDOYFJBBLNLOH-IYRWYFENSA-N 1 2 417.502 2.464 20 0 HEADLO CC[N@@H+]1CCCC[C@H]1C(=O)OCC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl ZINC000745086005 1077724012 /nfs/dbraw/zinc/72/40/12/1077724012.db2.gz PNZCZHVVKWUGOW-HNNXBMFYSA-N 1 2 402.900 2.100 20 0 HEADLO CC[N@H+]1CCCC[C@H]1C(=O)OCC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl ZINC000745086005 1077724020 /nfs/dbraw/zinc/72/40/20/1077724020.db2.gz PNZCZHVVKWUGOW-HNNXBMFYSA-N 1 2 402.900 2.100 20 0 HEADLO CC[N@@H+]1CCCC[C@H]1C(=O)O[C@@H](C)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O ZINC000745087339 1077724034 /nfs/dbraw/zinc/72/40/34/1077724034.db2.gz RHHNSTDSULJFFH-WMZOPIPTSA-N 1 2 414.506 2.229 20 0 HEADLO CC[N@H+]1CCCC[C@H]1C(=O)O[C@@H](C)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O ZINC000745087339 1077724040 /nfs/dbraw/zinc/72/40/40/1077724040.db2.gz RHHNSTDSULJFFH-WMZOPIPTSA-N 1 2 414.506 2.229 20 0 HEADLO CC(C)c1ccc(C[NH+]2CCN(C(=O)COC(=O)[C@H]3CCCCN3C)CC2)cc1 ZINC000745087154 1077724954 /nfs/dbraw/zinc/72/49/54/1077724954.db2.gz VVVQNFUBQRDIIX-OAQYLSRUSA-N 1 2 401.551 2.482 20 0 HEADLO CC[NH+](CC)[C@H](C(=O)O[C@H](C)C(=O)NC(=O)NC)c1cccc(C(F)(F)F)c1 ZINC000745093528 1077727257 /nfs/dbraw/zinc/72/72/57/1077727257.db2.gz HGADANNDGVNSDT-RISCZKNCSA-N 1 2 403.401 2.476 20 0 HEADLO COc1c(C)c[nH+]c(CNC(=O)C(=O)Nc2cccc(CN3CCCCC3=O)c2)c1C ZINC000065402683 1077735486 /nfs/dbraw/zinc/73/54/86/1077735486.db2.gz ZPKLNZHZVIBBGD-UHFFFAOYSA-N 1 2 424.501 2.474 20 0 HEADLO C[N@@H+]1CCCC[C@H]1C(=O)OCC(=O)N1c2ccccc2NC(=O)C[C@@H]1C(F)(F)F ZINC000745083866 1077736027 /nfs/dbraw/zinc/73/60/27/1077736027.db2.gz YUFJLHZOSOGBTE-LSDHHAIUSA-N 1 2 413.396 2.320 20 0 HEADLO C[N@H+]1CCCC[C@H]1C(=O)OCC(=O)N1c2ccccc2NC(=O)C[C@@H]1C(F)(F)F ZINC000745083866 1077736034 /nfs/dbraw/zinc/73/60/34/1077736034.db2.gz YUFJLHZOSOGBTE-LSDHHAIUSA-N 1 2 413.396 2.320 20 0 HEADLO CC(C)C[C@@H]1NC(=O)N(C[NH+]2CCC(C(=O)NCCc3cccs3)CC2)C1=O ZINC000745167752 1077765362 /nfs/dbraw/zinc/76/53/62/1077765362.db2.gz PMGMVCPVZGTCBZ-KRWDZBQOSA-N 1 2 406.552 2.043 20 0 HEADLO Cn1cc([C@H](O)C[C@@H]2CCC[N@@H+]2Cc2nnnn2-c2ccc(OC(F)F)cc2)cn1 ZINC000766949265 1079541659 /nfs/dbraw/zinc/54/16/59/1079541659.db2.gz YUTRGEDIEKRCDR-DOTOQJQBSA-N 1 2 419.436 2.085 20 0 HEADLO Cn1cc([C@H](O)C[C@@H]2CCC[N@H+]2Cc2nnnn2-c2ccc(OC(F)F)cc2)cn1 ZINC000766949265 1079541674 /nfs/dbraw/zinc/54/16/74/1079541674.db2.gz YUTRGEDIEKRCDR-DOTOQJQBSA-N 1 2 419.436 2.085 20 0 HEADLO CC(C)(C)OC(=O)N1CC[C@H]([N@H+](CN2C(=O)C(=O)N(C3CCCC3)C2=O)C2CC2)C1 ZINC000771863780 1079555462 /nfs/dbraw/zinc/55/54/62/1079555462.db2.gz IZWGWFGZYRCDJQ-INIZCTEOSA-N 1 2 420.510 2.151 20 0 HEADLO CC(C)(C)OC(=O)N1CC[C@H]([N@@H+](CN2C(=O)C(=O)N(C3CCCC3)C2=O)C2CC2)C1 ZINC000771863780 1079555475 /nfs/dbraw/zinc/55/54/75/1079555475.db2.gz IZWGWFGZYRCDJQ-INIZCTEOSA-N 1 2 420.510 2.151 20 0 HEADLO CCC[C@H]1CCc2c(sc(=O)n2C[NH+]2CCC(C(=O)NCC(=O)OCC)CC2)C1 ZINC000771864049 1079555707 /nfs/dbraw/zinc/55/57/07/1079555707.db2.gz DVCAHFTUEMCLRY-HNNXBMFYSA-N 1 2 423.579 2.164 20 0 HEADLO O=C(CN1CC[NH+](Cc2cccc(F)c2)CC1)Nc1ccc(N2CCOCC2)cc1 ZINC000767042063 1079601062 /nfs/dbraw/zinc/60/10/62/1079601062.db2.gz VYBYEVPWBYXWPB-UHFFFAOYSA-N 1 2 412.509 2.419 20 0 HEADLO C[N@H+](CC(=O)Nc1ccccc1C(N)=O)[C@H](CO)c1cccc(Br)c1 ZINC000767043908 1079602773 /nfs/dbraw/zinc/60/27/73/1079602773.db2.gz LJPWPGQYASNFSQ-MRXNPFEDSA-N 1 2 406.280 2.152 20 0 HEADLO C[N@@H+](CC(=O)Nc1ccccc1C(N)=O)[C@H](CO)c1cccc(Br)c1 ZINC000767043908 1079602784 /nfs/dbraw/zinc/60/27/84/1079602784.db2.gz LJPWPGQYASNFSQ-MRXNPFEDSA-N 1 2 406.280 2.152 20 0 HEADLO CC(C)(C)OC(=O)N1CC(n2nnc([C@@H]3C[N@H+](Cc4ccccc4)CCO3)n2)C1 ZINC000767061783 1079633916 /nfs/dbraw/zinc/63/39/16/1079633916.db2.gz MDMLHDHNSMVAON-KRWDZBQOSA-N 1 2 400.483 2.038 20 0 HEADLO CC(C)(C)OC(=O)N1CC(n2nnc([C@@H]3C[N@@H+](Cc4ccccc4)CCO3)n2)C1 ZINC000767061783 1079633928 /nfs/dbraw/zinc/63/39/28/1079633928.db2.gz MDMLHDHNSMVAON-KRWDZBQOSA-N 1 2 400.483 2.038 20 0 HEADLO C[N@H+](CC(=O)OCC(=O)N[C@@H](c1nccs1)c1ccccc1)[C@@H]1CCSC1 ZINC000767111904 1079665599 /nfs/dbraw/zinc/66/55/99/1079665599.db2.gz NLXDRCONDQXKOR-CRAIPNDOSA-N 1 2 405.545 2.329 20 0 HEADLO C[N@@H+](CC(=O)OCC(=O)N[C@@H](c1nccs1)c1ccccc1)[C@@H]1CCSC1 ZINC000767111904 1079665604 /nfs/dbraw/zinc/66/56/04/1079665604.db2.gz NLXDRCONDQXKOR-CRAIPNDOSA-N 1 2 405.545 2.329 20 0 HEADLO CC(C)(C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)c1cccc(Cl)c1F ZINC000772044299 1079666099 /nfs/dbraw/zinc/66/60/99/1079666099.db2.gz NZVDLTZIBZWUED-UHFFFAOYSA-N 1 2 404.935 2.382 20 0 HEADLO COc1cc(OC)c(NC(=O)COC(=O)C[N@H+](C)[C@@H]2CCSC2)cc1Cl ZINC000772048136 1079669118 /nfs/dbraw/zinc/66/91/18/1079669118.db2.gz LHPNPVDFOPHCFW-LLVKDONJSA-N 1 2 402.900 2.276 20 0 HEADLO COc1cc(OC)c(NC(=O)COC(=O)C[N@@H+](C)[C@@H]2CCSC2)cc1Cl ZINC000772048136 1079669122 /nfs/dbraw/zinc/66/91/22/1079669122.db2.gz LHPNPVDFOPHCFW-LLVKDONJSA-N 1 2 402.900 2.276 20 0 HEADLO Cc1nn(-c2ccccc2)c(C)c1NC(=O)COC(=O)C[N@@H+](C)[C@H]1CCSC1 ZINC000772049732 1079669695 /nfs/dbraw/zinc/66/96/95/1079669695.db2.gz SIQPJTDTRDKPKY-KRWDZBQOSA-N 1 2 402.520 2.408 20 0 HEADLO Cc1nn(-c2ccccc2)c(C)c1NC(=O)COC(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000772049732 1079669700 /nfs/dbraw/zinc/66/97/00/1079669700.db2.gz SIQPJTDTRDKPKY-KRWDZBQOSA-N 1 2 402.520 2.408 20 0 HEADLO Cc1nc(-c2ccc(C)cc2NC(=O)COC(=O)C[N@@H+](C)[C@@H]2CCSC2)n[nH]1 ZINC000772049821 1079669836 /nfs/dbraw/zinc/66/98/36/1079669836.db2.gz SRBGJBSADQWHRY-CQSZACIVSA-N 1 2 403.508 2.008 20 0 HEADLO Cc1nc(-c2ccc(C)cc2NC(=O)COC(=O)C[N@H+](C)[C@@H]2CCSC2)n[nH]1 ZINC000772049821 1079669849 /nfs/dbraw/zinc/66/98/49/1079669849.db2.gz SRBGJBSADQWHRY-CQSZACIVSA-N 1 2 403.508 2.008 20 0 HEADLO CN(Cc1ccc(OC(F)F)cc1)C(=O)COC(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000772049841 1079669986 /nfs/dbraw/zinc/66/99/86/1079669986.db2.gz SWIACMIBZMTHLI-CQSZACIVSA-N 1 2 402.463 2.227 20 0 HEADLO CN(Cc1ccc(OC(F)F)cc1)C(=O)COC(=O)C[N@@H+](C)[C@@H]1CCSC1 ZINC000772049841 1079669991 /nfs/dbraw/zinc/66/99/91/1079669991.db2.gz SWIACMIBZMTHLI-CQSZACIVSA-N 1 2 402.463 2.227 20 0 HEADLO CN(CCOc1ccc(Cl)cc1)C(=O)COC(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000772051638 1079671932 /nfs/dbraw/zinc/67/19/32/1079671932.db2.gz VRNSFCJITHBMGQ-OAHLLOKOSA-N 1 2 400.928 2.158 20 0 HEADLO CN(CCOc1ccc(Cl)cc1)C(=O)COC(=O)C[N@@H+](C)[C@@H]1CCSC1 ZINC000772051638 1079671935 /nfs/dbraw/zinc/67/19/35/1079671935.db2.gz VRNSFCJITHBMGQ-OAHLLOKOSA-N 1 2 400.928 2.158 20 0 HEADLO Cc1n[nH]c(C)c1C[C@H](C)C(=O)OCC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000772080790 1079690724 /nfs/dbraw/zinc/69/07/24/1079690724.db2.gz MRUAXEAUCLLILA-AWEZNQCLSA-N 1 2 404.536 2.154 20 0 HEADLO CC(C)(C)OC(=O)N1CCSC[C@@H]1CC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000772101949 1079726119 /nfs/dbraw/zinc/72/61/19/1079726119.db2.gz SJKZAMKALQYZCZ-SJORKVTESA-N 1 2 413.584 2.052 20 0 HEADLO COC(=O)/C=C/c1ccc(OCC[NH+]2CCN(C(=O)c3ccc(O)cc3)CC2)cc1 ZINC000767326959 1079820918 /nfs/dbraw/zinc/82/09/18/1079820918.db2.gz PPRFKTIIXCASNM-NYYWCZLTSA-N 1 2 410.470 2.415 20 0 HEADLO COC(=O)/C=C\c1ccc(OCC[NH+]2CCN(C(=O)c3ccccc3O)CC2)cc1 ZINC000767329794 1079821964 /nfs/dbraw/zinc/82/19/64/1079821964.db2.gz GRHGYOVSBZISKA-FLIBITNWSA-N 1 2 410.470 2.415 20 0 HEADLO COC(=O)c1n[nH]c2ccc(NC(=O)N3CCCC[C@@H]3C[NH+]3CCOCC3)cc21 ZINC000772332098 1079825135 /nfs/dbraw/zinc/82/51/35/1079825135.db2.gz PBDQFULBDCTWIG-OAHLLOKOSA-N 1 2 401.467 2.068 20 0 HEADLO NC(=O)c1cc(OC2CC[NH+](Cc3nc(-c4ccc5c(c4)OCO5)no3)CC2)ccn1 ZINC000772336943 1079829790 /nfs/dbraw/zinc/82/97/90/1079829790.db2.gz WOTUOWIHADOZQL-UHFFFAOYSA-N 1 2 423.429 2.003 20 0 HEADLO CN1CCN(c2cc(N[C@H](CNC(=O)OC(C)(C)C)C3CCCC3)[nH+]cn2)CC1=O ZINC000767409511 1079836648 /nfs/dbraw/zinc/83/66/48/1079836648.db2.gz GKWLZNMHQQFDDE-MRXNPFEDSA-N 1 2 418.542 2.250 20 0 HEADLO CN1CCN(c2cc(N[C@H](CNC(=O)OC(C)(C)C)C3CCCC3)nc[nH+]2)CC1=O ZINC000767409511 1079836653 /nfs/dbraw/zinc/83/66/53/1079836653.db2.gz GKWLZNMHQQFDDE-MRXNPFEDSA-N 1 2 418.542 2.250 20 0 HEADLO C[C@H]1CCCCN1S(=O)(=O)c1cccc(C(=O)OCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000767449418 1079877435 /nfs/dbraw/zinc/87/74/35/1079877435.db2.gz FJXKTMBJHBLNJA-YTQUADARSA-N 1 2 422.547 2.270 20 0 HEADLO C[C@H]1CCCCN1S(=O)(=O)c1cccc(C(=O)OCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000767449418 1079877437 /nfs/dbraw/zinc/87/74/37/1079877437.db2.gz FJXKTMBJHBLNJA-YTQUADARSA-N 1 2 422.547 2.270 20 0 HEADLO O=C(OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)[C@@H]1CS[C@@]2(c3ccc(F)cc3)CCC(=O)N12 ZINC000767456209 1079882347 /nfs/dbraw/zinc/88/23/47/1079882347.db2.gz CRVOMFPVJAADNQ-TWFHAPMSSA-N 1 2 420.506 2.123 20 0 HEADLO O=C(OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)[C@@H]1CS[C@@]2(c3ccc(F)cc3)CCC(=O)N12 ZINC000767456209 1079882349 /nfs/dbraw/zinc/88/23/49/1079882349.db2.gz CRVOMFPVJAADNQ-TWFHAPMSSA-N 1 2 420.506 2.123 20 0 HEADLO COC1(C(=O)OCC(=O)N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)CCCCC1 ZINC000772448352 1079882503 /nfs/dbraw/zinc/88/25/03/1079882503.db2.gz GENKMDTZBLLCCT-UHFFFAOYSA-N 1 2 418.538 2.450 20 0 HEADLO CC(C)c1noc([C@H](C)OC(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)n1 ZINC000767536203 1079935743 /nfs/dbraw/zinc/93/57/43/1079935743.db2.gz FUXMNWWHOQOHNU-HNNXBMFYSA-N 1 2 401.467 2.321 20 0 HEADLO C[C@H](OC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1)C(=O)N(C)c1ccccc1 ZINC000767540289 1079941775 /nfs/dbraw/zinc/94/17/75/1079941775.db2.gz WYSDLFIHVWGTGR-SFHVURJKSA-N 1 2 424.501 2.105 20 0 HEADLO C[C@H](OC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1nc(C(C)(C)C)no1 ZINC000767540561 1079946620 /nfs/dbraw/zinc/94/66/20/1079946620.db2.gz ZEKXIOINQHPQMJ-HNNXBMFYSA-N 1 2 415.494 2.495 20 0 HEADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)Cc2cccc(NC(=O)OC(C)(C)C)c2)CC1 ZINC000772590252 1079950372 /nfs/dbraw/zinc/95/03/72/1079950372.db2.gz UXNYVJMACCIJTM-UHFFFAOYSA-N 1 2 418.538 2.247 20 0 HEADLO CCNC(=O)C[N@H+]1CCCN(C(=O)Cc2cccc(NC(=O)OC(C)(C)C)c2)CC1 ZINC000772590252 1079950380 /nfs/dbraw/zinc/95/03/80/1079950380.db2.gz UXNYVJMACCIJTM-UHFFFAOYSA-N 1 2 418.538 2.247 20 0 HEADLO COc1ccc([C@@H]2[C@H](C(=O)OCC[N@H+]3C[C@H]4CC[C@@H](C3)O4)CCC(=O)N2C)cc1 ZINC000767547925 1079955295 /nfs/dbraw/zinc/95/52/95/1079955295.db2.gz XVZULUJRKRVJFZ-RCLSDMTESA-N 1 2 402.491 2.011 20 0 HEADLO COc1ccc([C@@H]2[C@H](C(=O)OCC[N@@H+]3C[C@H]4CC[C@@H](C3)O4)CCC(=O)N2C)cc1 ZINC000767547925 1079955319 /nfs/dbraw/zinc/95/53/19/1079955319.db2.gz XVZULUJRKRVJFZ-RCLSDMTESA-N 1 2 402.491 2.011 20 0 HEADLO COc1cc(S(=O)(=O)NCC2([NH+]3CCOCC3)CCCCC2)cnc1Cl ZINC000767666323 1080016725 /nfs/dbraw/zinc/01/67/25/1080016725.db2.gz QINAFNQJICURDK-UHFFFAOYSA-N 1 2 403.932 2.057 20 0 HEADLO C[C@H]1C[NH+](C(C)(C)CNS(=O)(=O)c2ccc(C3(C)OCCO3)cc2)C[C@H](C)O1 ZINC000767670399 1080018182 /nfs/dbraw/zinc/01/81/82/1080018182.db2.gz HHYHIIBTJRYWCF-HOTGVXAUSA-N 1 2 412.552 2.072 20 0 HEADLO CC(C)([NH2+]Cc1nnnn1-c1ccc(OC(F)F)cc1)C(=O)NCC1CCCC1 ZINC000767658484 1080024646 /nfs/dbraw/zinc/02/46/46/1080024646.db2.gz LQSMBLBBLFZWOA-UHFFFAOYSA-N 1 2 408.453 2.438 20 0 HEADLO O=C(C[C@@H]1CSCCS1)OCC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000767698677 1080029153 /nfs/dbraw/zinc/02/91/53/1080029153.db2.gz KDIWIPOVCHRTKJ-OAHLLOKOSA-N 1 2 400.591 2.174 20 0 HEADLO CCC(CC)[C@H](C(=O)Nc1ccc(N2CCNC(=O)C2)c(Cl)c1)[NH+]1CCOCC1 ZINC000742045953 1080030557 /nfs/dbraw/zinc/03/05/57/1080030557.db2.gz KLTRVVONJRAEJF-HXUWFJFHSA-N 1 2 422.957 2.352 20 0 HEADLO COC(=O)c1scc(C)c1S(=O)(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000785546836 1080052546 /nfs/dbraw/zinc/05/25/46/1080052546.db2.gz CFDRTEDDDHVOBE-UHFFFAOYSA-N 1 2 409.533 2.396 20 0 HEADLO COc1cccc([C@H]2CN(C(=O)CCc3c(C)nc4c(c(=O)[nH]n4C)c3C)CC[NH2+]2)c1 ZINC001169973848 1080056287 /nfs/dbraw/zinc/05/62/87/1080056287.db2.gz FPAPLKHKTQWVBA-LJQANCHMSA-N 1 2 423.517 2.405 20 0 HEADLO C[N@H+](CCOC(C)(C)C)CN1C(=O)NC2(CCN(C(=O)OC(C)(C)C)CC2)C1=O ZINC000767770305 1080078660 /nfs/dbraw/zinc/07/86/60/1080078660.db2.gz AXHCIVUGXVSNSQ-UHFFFAOYSA-N 1 2 412.531 2.012 20 0 HEADLO C[N@@H+](CCOC(C)(C)C)CN1C(=O)NC2(CCN(C(=O)OC(C)(C)C)CC2)C1=O ZINC000767770305 1080078667 /nfs/dbraw/zinc/07/86/67/1080078667.db2.gz AXHCIVUGXVSNSQ-UHFFFAOYSA-N 1 2 412.531 2.012 20 0 HEADLO CC(C)CN(CC(C)C)C(=O)C[NH+]1CCN(c2ccc(NS(C)(=O)=O)cc2)CC1 ZINC000767751878 1080085600 /nfs/dbraw/zinc/08/56/00/1080085600.db2.gz DZXRZLGHURRGEZ-UHFFFAOYSA-N 1 2 424.611 2.321 20 0 HEADLO CCOC1CC(CNC(=O)NCCCOc2cccc(C)c2)([NH+]2CCOCC2)C1 ZINC000767753093 1080086958 /nfs/dbraw/zinc/08/69/58/1080086958.db2.gz DVLPKCHDZYWGLH-UHFFFAOYSA-N 1 2 405.539 2.333 20 0 HEADLO CN(C)c1ccc([NH+]2CCC(NC(=O)NC3CCN(C(=O)C4CC4)CC3)CC2)cc1 ZINC000742218641 1080087515 /nfs/dbraw/zinc/08/75/15/1080087515.db2.gz JOSVZEVESCMHJW-UHFFFAOYSA-N 1 2 413.566 2.422 20 0 HEADLO COc1c(C)c[nH+]c(CNC(=O)C(=O)NCc2coc(-c3cccs3)n2)c1C ZINC000785688354 1080164064 /nfs/dbraw/zinc/16/40/64/1080164064.db2.gz AOKAWUXQOXIZJV-UHFFFAOYSA-N 1 2 400.460 2.356 20 0 HEADLO COCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[NH2+][C@H](c2cccc(OC)c2)C1 ZINC001169976635 1080173489 /nfs/dbraw/zinc/17/34/89/1080173489.db2.gz WLTRFOBTCNLSSH-MSOLQXFVSA-N 1 2 407.511 2.098 20 0 HEADLO Cc1cc(N2CCN(C(=O)c3ccc(F)c(S(C)(=O)=O)c3)CC2)nc(C(C)C)[nH+]1 ZINC000785749179 1080230146 /nfs/dbraw/zinc/23/01/46/1080230146.db2.gz GKWCEZRCKOVATQ-UHFFFAOYSA-N 1 2 420.510 2.413 20 0 HEADLO CC[C@@]1(C)CC(=O)N(C[N@@H+]2CCC[C@H](CNS(=O)(=O)c3ccc(C)cc3)C2)C1=O ZINC000767975369 1080244940 /nfs/dbraw/zinc/24/49/40/1080244940.db2.gz ZINCMXXFIULKJX-UTKZUKDTSA-N 1 2 421.563 2.118 20 0 HEADLO CC[C@@]1(C)CC(=O)N(C[N@H+]2CCC[C@H](CNS(=O)(=O)c3ccc(C)cc3)C2)C1=O ZINC000767975369 1080244948 /nfs/dbraw/zinc/24/49/48/1080244948.db2.gz ZINCMXXFIULKJX-UTKZUKDTSA-N 1 2 421.563 2.118 20 0 HEADLO O=C(COC(=O)c1cn2ccnc2s1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000785820464 1080258600 /nfs/dbraw/zinc/25/86/00/1080258600.db2.gz LHHALADPIBXMNE-UHFFFAOYSA-N 1 2 400.460 2.024 20 0 HEADLO O=C(C[NH+]1CCC(O)(c2ccc(-c3ccccc3)cc2)CC1)NCC(=O)N1CCCC1 ZINC000785977185 1080333145 /nfs/dbraw/zinc/33/31/45/1080333145.db2.gz CXIVXYMUZJUYHS-UHFFFAOYSA-N 1 2 421.541 2.376 20 0 HEADLO C[N@@H+]1CCO[C@@H]([C@@H](NC(=O)N2CCCC3(C2)OCCO3)c2ccc(Cl)cc2)C1 ZINC000768103687 1080340134 /nfs/dbraw/zinc/34/01/34/1080340134.db2.gz VNRJIPZYMJOVHO-MSOLQXFVSA-N 1 2 409.914 2.260 20 0 HEADLO C[N@H+]1CCO[C@@H]([C@@H](NC(=O)N2CCCC3(C2)OCCO3)c2ccc(Cl)cc2)C1 ZINC000768103687 1080340143 /nfs/dbraw/zinc/34/01/43/1080340143.db2.gz VNRJIPZYMJOVHO-MSOLQXFVSA-N 1 2 409.914 2.260 20 0 HEADLO O=C(Nc1cnc(Cl)c(Br)c1)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000768200918 1080390761 /nfs/dbraw/zinc/39/07/61/1080390761.db2.gz IRNKSVJRVPQNHH-SNVBAGLBSA-N 1 2 424.686 2.226 20 0 HEADLO COC(=O)CCn1nc(C)c(C[N@H+]2Cc3c(OC)ccc(OC)c3[C@@H](O)C2)c1C ZINC000768206993 1080395629 /nfs/dbraw/zinc/39/56/29/1080395629.db2.gz NYHKGRSZGMPOEW-KRWDZBQOSA-N 1 2 403.479 2.129 20 0 HEADLO COC(=O)CCn1nc(C)c(C[N@@H+]2Cc3c(OC)ccc(OC)c3[C@@H](O)C2)c1C ZINC000768206993 1080395638 /nfs/dbraw/zinc/39/56/38/1080395638.db2.gz NYHKGRSZGMPOEW-KRWDZBQOSA-N 1 2 403.479 2.129 20 0 HEADLO C[C@H](c1nc(N)nc(N(C)C)n1)[NH+]1CCC(CNC(=O)OCc2ccccc2)CC1 ZINC000786109867 1080402010 /nfs/dbraw/zinc/40/20/10/1080402010.db2.gz MSLOMPIGAAEJLW-OAHLLOKOSA-N 1 2 413.526 2.219 20 0 HEADLO CCNC(=O)CN1CC[NH+](Cc2cccc3c2N(C(=O)OC(C)(C)C)CC3)CC1 ZINC000768252063 1080440445 /nfs/dbraw/zinc/44/04/45/1080440445.db2.gz VFUBMZKHCAUIQY-UHFFFAOYSA-N 1 2 402.539 2.238 20 0 HEADLO CN(CCCn1cc[nH+]c1)C(=O)c1ccc2ncc(I)n2c1 ZINC000768325214 1080487143 /nfs/dbraw/zinc/48/71/43/1080487143.db2.gz SWMDVDZQBNMFHC-UHFFFAOYSA-N 1 2 409.231 2.298 20 0 HEADLO CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)Nc1ccccc1-n1cc[nH+]c1 ZINC000768317234 1080505199 /nfs/dbraw/zinc/50/51/99/1080505199.db2.gz HMFWYZKWRZRTGU-SFHVURJKSA-N 1 2 415.494 2.476 20 0 HEADLO O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)C(=O)Nc1cccc(C(F)(F)F)n1 ZINC000786269120 1080519149 /nfs/dbraw/zinc/51/91/49/1080519149.db2.gz LAZQOOAIBVFEAW-HNNXBMFYSA-N 1 2 422.407 2.056 20 0 HEADLO O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)C(=O)Nc1cccc(C(F)(F)F)n1 ZINC000786269120 1080519162 /nfs/dbraw/zinc/51/91/62/1080519162.db2.gz LAZQOOAIBVFEAW-HNNXBMFYSA-N 1 2 422.407 2.056 20 0 HEADLO COC(=O)CCc1cccc(NC(=O)C(=O)N2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000786275078 1080523070 /nfs/dbraw/zinc/52/30/70/1080523070.db2.gz RARAHDYNLFSUQR-UHFFFAOYSA-N 1 2 409.486 2.075 20 0 HEADLO CC[NH+]1CCN(C(=O)[C@@H](C)Sc2nnc(-c3cccc(OC(C)C)c3)n2N)CC1 ZINC000768455044 1080554165 /nfs/dbraw/zinc/55/41/65/1080554165.db2.gz RCBKBGQCXXJZBP-OAHLLOKOSA-N 1 2 418.567 2.091 20 0 HEADLO O=C(C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@]13C[C@H]1COC3)C2)NCCCC1CCCCC1 ZINC001109307468 1080574305 /nfs/dbraw/zinc/57/43/05/1080574305.db2.gz MRLBDIJQSRNZHV-RUIUOMPFSA-N 1 2 403.567 2.221 20 0 HEADLO O=C(C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@]13C[C@H]1COC3)C2)NCCCC1CCCCC1 ZINC001109307468 1080574313 /nfs/dbraw/zinc/57/43/13/1080574313.db2.gz MRLBDIJQSRNZHV-RUIUOMPFSA-N 1 2 403.567 2.221 20 0 HEADLO CC(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCc1ccco1 ZINC001109304357 1080587723 /nfs/dbraw/zinc/58/77/23/1080587723.db2.gz XIXXMBYRXPYHLB-KQGMHSTHSA-N 1 2 403.523 2.069 20 0 HEADLO CC(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCc1ccco1 ZINC001109304357 1080587731 /nfs/dbraw/zinc/58/77/31/1080587731.db2.gz XIXXMBYRXPYHLB-KQGMHSTHSA-N 1 2 403.523 2.069 20 0 HEADLO O=C1N[C@]2(CCCCc3ccccc32)C(=O)N1C[N@@H+]1CCOC2(CCOCC2)CC1 ZINC000768905439 1080841839 /nfs/dbraw/zinc/84/18/39/1080841839.db2.gz MPWWDTVSDRCTCP-QHCPKHFHSA-N 1 2 413.518 2.389 20 0 HEADLO O=C1N[C@]2(CCCCc3ccccc32)C(=O)N1C[N@H+]1CCOC2(CCOCC2)CC1 ZINC000768905439 1080841842 /nfs/dbraw/zinc/84/18/42/1080841842.db2.gz MPWWDTVSDRCTCP-QHCPKHFHSA-N 1 2 413.518 2.389 20 0 HEADLO CC[NH+](CC)Cc1csc(NC(=O)c2cccc([C@@]3(C)NC(=O)NC3=O)c2)n1 ZINC000768974878 1080871255 /nfs/dbraw/zinc/87/12/55/1080871255.db2.gz XFJHVBNNQOEDNE-LJQANCHMSA-N 1 2 401.492 2.292 20 0 HEADLO Cn1cc(C(=O)OCC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)c(C(C)(C)C)n1 ZINC000768959056 1080883747 /nfs/dbraw/zinc/88/37/47/1080883747.db2.gz JXPUINNTGWAWHX-UHFFFAOYSA-N 1 2 414.506 2.345 20 0 HEADLO O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)OCc1ccccc1C(F)(F)F ZINC000786992037 1080902072 /nfs/dbraw/zinc/90/20/72/1080902072.db2.gz BHEJTCQCQUPDQF-QGZVFWFLSA-N 1 2 414.424 2.462 20 0 HEADLO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)c2ccoc2COc2ccc(C=O)cc2)CC1 ZINC000746621128 1080903774 /nfs/dbraw/zinc/90/37/74/1080903774.db2.gz WDQCHGBZZRDZSK-MRXNPFEDSA-N 1 2 414.458 2.381 20 0 HEADLO O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)OCCC(Cl)(Cl)Cl ZINC000787003711 1080916453 /nfs/dbraw/zinc/91/64/53/1080916453.db2.gz ZEQGBKUCXNDDDR-LBPRGKRZSA-N 1 2 401.718 2.003 20 0 HEADLO COc1cc(C[N@@H+]2CC[C@H](NC(=O)OC(C)(C)C)C2)cc(Cl)c1OCC(N)=O ZINC000769062555 1080918116 /nfs/dbraw/zinc/91/81/16/1080918116.db2.gz OHMAWNCVUYMARL-ZDUSSCGKSA-N 1 2 413.902 2.312 20 0 HEADLO COc1cc(C[N@H+]2CC[C@H](NC(=O)OC(C)(C)C)C2)cc(Cl)c1OCC(N)=O ZINC000769062555 1080918138 /nfs/dbraw/zinc/91/81/38/1080918138.db2.gz OHMAWNCVUYMARL-ZDUSSCGKSA-N 1 2 413.902 2.312 20 0 HEADLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)C(=O)NCCc2ccccc2OC(F)F)C1 ZINC000787007756 1080922451 /nfs/dbraw/zinc/92/24/51/1080922451.db2.gz VZYUZKCILOPXMK-HNNXBMFYSA-N 1 2 406.433 2.086 20 0 HEADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H]1c2ccccc2CCN1C(=O)OC(C)(C)C ZINC000769178266 1080992591 /nfs/dbraw/zinc/99/25/91/1080992591.db2.gz HZIDLMSPSXIPAG-VQIMIIECSA-N 1 2 403.523 2.358 20 0 HEADLO C[C@@H]1COCC[N@H+]1CCNC(=O)[C@H]1c2ccccc2CCN1C(=O)OC(C)(C)C ZINC000769178266 1080992611 /nfs/dbraw/zinc/99/26/11/1080992611.db2.gz HZIDLMSPSXIPAG-VQIMIIECSA-N 1 2 403.523 2.358 20 0 HEADLO CC(C)(C)OC(=O)NCCCOC1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC000787116408 1081007137 /nfs/dbraw/zinc/00/71/37/1081007137.db2.gz UPUVBJBNTRNTAM-INIZCTEOSA-N 1 2 406.527 2.368 20 0 HEADLO CCNC(=O)c1ccc(NC(=O)N2CC[N@H+](C)C[C@@H]2CNC(=O)OC(C)(C)C)cc1 ZINC000769237746 1081012230 /nfs/dbraw/zinc/01/22/30/1081012230.db2.gz QWMXPRHSKYUHRU-KRWDZBQOSA-N 1 2 419.526 2.109 20 0 HEADLO CCNC(=O)c1ccc(NC(=O)N2CC[N@@H+](C)C[C@@H]2CNC(=O)OC(C)(C)C)cc1 ZINC000769237746 1081012239 /nfs/dbraw/zinc/01/22/39/1081012239.db2.gz QWMXPRHSKYUHRU-KRWDZBQOSA-N 1 2 419.526 2.109 20 0 HEADLO CCn1c(=O)c2ccc(C(=O)N3CC[C@H](OCC[NH+](CC)CC)C3)cc2[nH]c1=S ZINC000746648243 1081019063 /nfs/dbraw/zinc/01/90/63/1081019063.db2.gz LNTOGHDHCZUXIL-INIZCTEOSA-N 1 2 418.563 2.278 20 0 HEADLO CC(C)(C)OC(=O)N1CC[C@@H]([NH+]2CCN([C@H]3CCN(c4ccccc4)C3=O)CC2)C1 ZINC000769405723 1081064427 /nfs/dbraw/zinc/06/44/27/1081064427.db2.gz YRWBUVWVAQSBPB-UXHICEINSA-N 1 2 414.550 2.419 20 0 HEADLO C[C@@H](C[NH+]1CCOCC1)OC(=O)CCOc1cccc(I)c1 ZINC000787247695 1081069928 /nfs/dbraw/zinc/06/99/28/1081069928.db2.gz KWITWBMZNPIEAA-ZDUSSCGKSA-N 1 2 419.259 2.324 20 0 HEADLO C[S@](=O)CC[NH+]1CCN(Cc2cccc3c2N(C(=O)OC(C)(C)C)CC3)CC1 ZINC000769481289 1081078133 /nfs/dbraw/zinc/07/81/33/1081078133.db2.gz UIJNNJAFPMTALS-NDEPHWFRSA-N 1 2 407.580 2.480 20 0 HEADLO COc1cc(CNC(=O)C(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)ccc1OC(C)C ZINC000787230830 1081079584 /nfs/dbraw/zinc/07/95/84/1081079584.db2.gz ARTZXSSHAIQHPX-IBGZPJMESA-N 1 2 411.502 2.402 20 0 HEADLO COc1cc(CNC(=O)C(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)ccc1OC(C)C ZINC000787230830 1081079591 /nfs/dbraw/zinc/07/95/91/1081079591.db2.gz ARTZXSSHAIQHPX-IBGZPJMESA-N 1 2 411.502 2.402 20 0 HEADLO CSC1(C(=O)OCC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)CCC1 ZINC000787233789 1081081571 /nfs/dbraw/zinc/08/15/71/1081081571.db2.gz FOBPTZCEYHAGJP-UHFFFAOYSA-N 1 2 404.532 2.095 20 0 HEADLO COc1cc(CNC(=O)C(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)ccc1OC(C)C ZINC000787237476 1081084408 /nfs/dbraw/zinc/08/44/08/1081084408.db2.gz LBNLIIPRWBVIOK-SJLPKXTDSA-N 1 2 414.506 2.405 20 0 HEADLO CC(C)(O)c1ccc(CNC(=O)C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC000787297779 1081097290 /nfs/dbraw/zinc/09/72/90/1081097290.db2.gz KSWZJIWTXDRLSK-UHFFFAOYSA-N 1 2 406.486 2.091 20 0 HEADLO CC[C@H]1C[N@H+](CC(=O)Nc2cccc(C(=O)OC)n2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000787271243 1081103122 /nfs/dbraw/zinc/10/31/22/1081103122.db2.gz QDPGCIJFLRBDLT-GJZGRUSLSA-N 1 2 420.510 2.432 20 0 HEADLO CC[C@H]1C[N@@H+](CC(=O)Nc2cccc(C(=O)OC)n2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000787271243 1081103127 /nfs/dbraw/zinc/10/31/27/1081103127.db2.gz QDPGCIJFLRBDLT-GJZGRUSLSA-N 1 2 420.510 2.432 20 0 HEADLO CNC(=O)CC1CC[NH+](CC(=O)Nc2ccccc2C(=O)NCc2ccccc2)CC1 ZINC000746670322 1081105402 /nfs/dbraw/zinc/10/54/02/1081105402.db2.gz PXWBLJTXDHQPOQ-UHFFFAOYSA-N 1 2 422.529 2.403 20 0 HEADLO C[NH+](C)[C@@H](CNC(=O)NCCS(=O)(=O)CC1CC1)c1cccc(C(F)(F)F)c1 ZINC000769520841 1081106143 /nfs/dbraw/zinc/10/61/43/1081106143.db2.gz KGTBMMZXFIAOMJ-INIZCTEOSA-N 1 2 421.485 2.432 20 0 HEADLO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[N@H+]1CC[C@H](Cc2cnn(C)c2)C1 ZINC000769550872 1081122893 /nfs/dbraw/zinc/12/28/93/1081122893.db2.gz TUZKYDSSPGORMM-GDBMZVCRSA-N 1 2 411.959 2.003 20 0 HEADLO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[N@@H+]1CC[C@H](Cc2cnn(C)c2)C1 ZINC000769550872 1081122898 /nfs/dbraw/zinc/12/28/98/1081122898.db2.gz TUZKYDSSPGORMM-GDBMZVCRSA-N 1 2 411.959 2.003 20 0 HEADLO C[N@H+](CCN1CCCS1(=O)=O)Cc1cccc2c1N(C(=O)OC(C)(C)C)CC2 ZINC000769559249 1081124501 /nfs/dbraw/zinc/12/45/01/1081124501.db2.gz WJELKWBKYZQVQR-UHFFFAOYSA-N 1 2 409.552 2.452 20 0 HEADLO C[N@@H+](CCN1CCCS1(=O)=O)Cc1cccc2c1N(C(=O)OC(C)(C)C)CC2 ZINC000769559249 1081124511 /nfs/dbraw/zinc/12/45/11/1081124511.db2.gz WJELKWBKYZQVQR-UHFFFAOYSA-N 1 2 409.552 2.452 20 0 HEADLO COCCN1CC[N@H+](C)C2(CCN(c3nc4ccc(OC)cc4cc3C)CC2)C1=O ZINC001164633407 719267993 /nfs/dbraw/zinc/26/79/93/719267993.db2.gz CQTYMWOUVYZXEZ-UHFFFAOYSA-N 1 2 412.534 2.311 20 0 HEADLO COCCN1CC[N@@H+](C)C2(CCN(c3nc4ccc(OC)cc4cc3C)CC2)C1=O ZINC001164633407 719267998 /nfs/dbraw/zinc/26/79/98/719267998.db2.gz CQTYMWOUVYZXEZ-UHFFFAOYSA-N 1 2 412.534 2.311 20 0 HEADLO COCCN1CC[N@H+](C)C2(CCN(c3ccc4nccc(Cl)c4n3)CC2)C1=O ZINC001164641174 719279153 /nfs/dbraw/zinc/27/91/53/719279153.db2.gz SRGKGLLOBXBQGH-UHFFFAOYSA-N 1 2 403.914 2.043 20 0 HEADLO COCCN1CC[N@@H+](C)C2(CCN(c3ccc4nccc(Cl)c4n3)CC2)C1=O ZINC001164641174 719279156 /nfs/dbraw/zinc/27/91/56/719279156.db2.gz SRGKGLLOBXBQGH-UHFFFAOYSA-N 1 2 403.914 2.043 20 0 HEADLO COCCN1CC[N@H+](C)C2(CCN(c3nc(C(C)C)nc(Cl)c3C)CC2)C1=O ZINC001164644713 719284292 /nfs/dbraw/zinc/28/42/92/719284292.db2.gz RKZRZNQYMLHONX-UHFFFAOYSA-N 1 2 409.962 2.321 20 0 HEADLO COCCN1CC[N@@H+](C)C2(CCN(c3nc(C(C)C)nc(Cl)c3C)CC2)C1=O ZINC001164644713 719284296 /nfs/dbraw/zinc/28/42/96/719284296.db2.gz RKZRZNQYMLHONX-UHFFFAOYSA-N 1 2 409.962 2.321 20 0 HEADLO CC(C)(C)C(=O)Nc1ccnc(N2CCCC(=O)CC2)c1C[N@@H+]1CC[C@H](CO)C1 ZINC001164645939 719286581 /nfs/dbraw/zinc/28/65/81/719286581.db2.gz MHZZLWSGWHFCCD-INIZCTEOSA-N 1 2 402.539 2.440 20 0 HEADLO CC(C)(C)C(=O)Nc1ccnc(N2CCCC(=O)CC2)c1C[N@H+]1CC[C@H](CO)C1 ZINC001164645939 719286585 /nfs/dbraw/zinc/28/65/85/719286585.db2.gz MHZZLWSGWHFCCD-INIZCTEOSA-N 1 2 402.539 2.440 20 0 HEADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc(Cl)nc(SC)n1 ZINC001164699908 719839283 /nfs/dbraw/zinc/83/92/83/719839283.db2.gz ISRUPFMREYVGNA-YVEFUNNKSA-N 1 2 400.932 2.085 20 0 HEADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1[C@H](F)Oc1ccc(Cl)nc1 ZINC001164700656 719854620 /nfs/dbraw/zinc/85/46/20/719854620.db2.gz ISEFPYRZPZZIPR-BVGQSLNGSA-N 1 2 401.866 2.095 20 0 HEADLO CCc1c(Cl)nnc(N2CC[C@@H]([NH+]3CCOCC3)C[C@@]2(C)C(=O)OC)c1CC ZINC001164702915 719855452 /nfs/dbraw/zinc/85/54/52/719855452.db2.gz OHFQPRASGNYDSU-VLIAUNLRSA-N 1 2 410.946 2.488 20 0 HEADLO CCc1c(Cl)nnc(N2CC[C@@H]([NH+]3CCOCC3)C[C@]2(C)C(=O)OC)c1CC ZINC001164702909 719855547 /nfs/dbraw/zinc/85/55/47/719855547.db2.gz OHFQPRASGNYDSU-JLTOFOAXSA-N 1 2 410.946 2.488 20 0 HEADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(Cl)ncc1SC ZINC001164701572 719856536 /nfs/dbraw/zinc/85/65/36/719856536.db2.gz LFBPBNNGAPLANZ-SJKOYZFVSA-N 1 2 400.932 2.085 20 0 HEADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncnc2nc(SC)sc21 ZINC001164701324 719862250 /nfs/dbraw/zinc/86/22/50/719862250.db2.gz KDJUFULVFCBECF-XIKOKIGWSA-N 1 2 423.564 2.041 20 0 HEADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncc2c(n1)-c1ccccc1CC2 ZINC001164707417 719864146 /nfs/dbraw/zinc/86/41/46/719864146.db2.gz SEXZGGQZBMVRFF-NTKDMRAZSA-N 1 2 422.529 2.475 20 0 HEADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cncc(N2CCCCCC2)n1 ZINC001164699100 719873968 /nfs/dbraw/zinc/87/39/68/719873968.db2.gz ADKCDVBBDDJGHO-XMSQKQJNSA-N 1 2 417.554 2.090 20 0 HEADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cncc(OCC2CCCC2)n1 ZINC001164707996 719877877 /nfs/dbraw/zinc/87/78/77/719877877.db2.gz XDCALPBOLXKHIM-GCJKJVERSA-N 1 2 418.538 2.278 20 0 HEADLO CCCSc1ncnc(N2CC[C@@H]([NH+]3CCOCC3)C[C@]2(C)C(=O)OC)c1OC ZINC001164702789 719879216 /nfs/dbraw/zinc/87/92/16/719879216.db2.gz QFXYDQRGYCRZDB-FOIQADDNSA-N 1 2 424.567 2.220 20 0 HEADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc(SC)nc(SC)n1 ZINC001164700806 719879228 /nfs/dbraw/zinc/87/92/28/719879228.db2.gz LYLBJYGKKSLOGR-UGSOOPFHSA-N 1 2 412.581 2.153 20 0 HEADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3cc(Cl)ncc3F)C2)C1 ZINC001164720023 720245031 /nfs/dbraw/zinc/24/50/31/720245031.db2.gz QPFDAVDQMFENAU-KRWDZBQOSA-N 1 2 420.863 2.084 20 0 HEADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3cc(Cl)ncc3F)C2)C1 ZINC001164720023 720245039 /nfs/dbraw/zinc/24/50/39/720245039.db2.gz QPFDAVDQMFENAU-KRWDZBQOSA-N 1 2 420.863 2.084 20 0 HEADLO CSc1ccc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)nn1 ZINC001164820754 720379162 /nfs/dbraw/zinc/37/91/62/720379162.db2.gz TUMWIPGLMBRSRS-UHFFFAOYSA-N 1 2 418.592 2.277 20 0 HEADLO CSc1ccc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)nn1 ZINC001164820754 720379170 /nfs/dbraw/zinc/37/91/70/720379170.db2.gz TUMWIPGLMBRSRS-UHFFFAOYSA-N 1 2 418.592 2.277 20 0 HEADLO Cc1nc(CN2CCN(C)C3(CCN(c4nc(C)[nH+]c(C)c4C)CC3)C2=O)cs1 ZINC001164822942 720382430 /nfs/dbraw/zinc/38/24/30/720382430.db2.gz NNMPGUUYBLFQIM-UHFFFAOYSA-N 1 2 414.579 2.480 20 0 HEADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ncc(C(F)F)cn4)CC3)C2=O)cs1 ZINC001164821121 720383592 /nfs/dbraw/zinc/38/35/92/720383592.db2.gz DUNDIPKKKGLHBQ-UHFFFAOYSA-N 1 2 422.505 2.492 20 0 HEADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ncc(C(F)F)cn4)CC3)C2=O)cs1 ZINC001164821121 720383600 /nfs/dbraw/zinc/38/36/00/720383600.db2.gz DUNDIPKKKGLHBQ-UHFFFAOYSA-N 1 2 422.505 2.492 20 0 HEADLO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4cc(Cl)nc5nc[nH]c54)C3)O2)CC1 ZINC001164887140 721406669 /nfs/dbraw/zinc/40/66/69/721406669.db2.gz LDMHXCGPYIAFCF-MGPUTAFESA-N 1 2 404.946 2.377 20 0 HEADLO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4cc(Cl)nc5[nH]cnc54)C3)O2)CC1 ZINC001164887140 721406671 /nfs/dbraw/zinc/40/66/71/721406671.db2.gz LDMHXCGPYIAFCF-MGPUTAFESA-N 1 2 404.946 2.377 20 0 HEADLO F[C@@H](Oc1ccc(Cl)nc1)N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164916406 721782207 /nfs/dbraw/zinc/78/22/07/721782207.db2.gz QQCPEGQGXVVGRE-WOJBJXKFSA-N 1 2 422.888 2.365 20 0 HEADLO F[C@@H](Oc1ccc(Cl)nc1)N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164916406 721782210 /nfs/dbraw/zinc/78/22/10/721782210.db2.gz QQCPEGQGXVVGRE-WOJBJXKFSA-N 1 2 422.888 2.365 20 0 HEADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2nc(Cl)cc(O[C@H]3CCOC3)n2)CC1 ZINC001164919708 721821690 /nfs/dbraw/zinc/82/16/90/721821690.db2.gz UHUDIPRJRFBOJQ-HNNXBMFYSA-N 1 2 418.929 2.244 20 0 HEADLO O=S(=O)(c1cccnc1N1CC[NH+](CCOc2ccccc2)CC1)N1CCCC1 ZINC001165044859 721957984 /nfs/dbraw/zinc/95/79/84/721957984.db2.gz PNMJVMUQMDXWJW-UHFFFAOYSA-N 1 2 416.547 2.067 20 0 HEADLO Cn1cc([C@@H](O)CNC(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)cn1 ZINC000745488529 1078498077 /nfs/dbraw/zinc/49/80/77/1078498077.db2.gz VGBGUZXPOAGDHY-IRXDYDNUSA-N 1 2 409.893 2.382 20 0 HEADLO C[C@@H](c1ccccc1)N1C(=O)C(=O)N(C[N@@H+]2CCSC3(CCOCC3)C2)C1=O ZINC000769775172 1078550931 /nfs/dbraw/zinc/55/09/31/1078550931.db2.gz QFDIJFYYZOPEKO-HNNXBMFYSA-N 1 2 403.504 2.094 20 0 HEADLO C[C@@H](c1ccccc1)N1C(=O)C(=O)N(C[N@H+]2CCSC3(CCOCC3)C2)C1=O ZINC000769775172 1078550937 /nfs/dbraw/zinc/55/09/37/1078550937.db2.gz QFDIJFYYZOPEKO-HNNXBMFYSA-N 1 2 403.504 2.094 20 0 HEADLO CN(C(=O)OC(C)(C)C)[C@@H](C(=O)N1CCC[C@H](c2[nH+]ccn2C)C1)c1cnn(C)c1 ZINC000769769038 1078547563 /nfs/dbraw/zinc/54/75/63/1078547563.db2.gz FVDFMXDWDIBLRY-DOTOQJQBSA-N 1 2 416.526 2.468 20 0 HEADLO CC(=O)Nc1cccc(COC(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)c1 ZINC000766334998 1078602510 /nfs/dbraw/zinc/60/25/10/1078602510.db2.gz YACFRVFGAWCFOZ-UHFFFAOYSA-N 1 2 410.474 2.212 20 0 HEADLO CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)C[N@@H+]2CC[C@H](CC(F)(F)F)C2)C1=O ZINC000769846589 1078606337 /nfs/dbraw/zinc/60/63/37/1078606337.db2.gz PWYUZKYBLYBGGD-FZKQIMNGSA-N 1 2 412.412 2.149 20 0 HEADLO CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)C[N@H+]2CC[C@H](CC(F)(F)F)C2)C1=O ZINC000769846589 1078606340 /nfs/dbraw/zinc/60/63/40/1078606340.db2.gz PWYUZKYBLYBGGD-FZKQIMNGSA-N 1 2 412.412 2.149 20 0 HEADLO CC[NH+](CC)Cc1nc(C2(NS(=O)(=O)c3cn(C)c(Cl)n3)CCCC2)no1 ZINC000769897731 1078620918 /nfs/dbraw/zinc/62/09/18/1078620918.db2.gz VZUCJEBDPFCXII-UHFFFAOYSA-N 1 2 416.935 2.046 20 0 HEADLO CCc1nc(C[NH+]2CCC(CNS(=O)(=O)c3cn(C)c(Cl)n3)CC2)cs1 ZINC000769899239 1078621038 /nfs/dbraw/zinc/62/10/38/1078621038.db2.gz IUXXFCSSEBVHLS-UHFFFAOYSA-N 1 2 417.988 2.283 20 0 HEADLO CC(C)NC(=O)c1ccccc1NC(=O)C[N@@H+]1CCC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000769898756 1078622358 /nfs/dbraw/zinc/62/23/58/1078622358.db2.gz LYRZCXAYIFRRCE-GUYCJALGSA-N 1 2 401.429 2.399 20 0 HEADLO CC(C)NC(=O)c1ccccc1NC(=O)C[N@H+]1CCC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000769898756 1078622361 /nfs/dbraw/zinc/62/23/61/1078622361.db2.gz LYRZCXAYIFRRCE-GUYCJALGSA-N 1 2 401.429 2.399 20 0 HEADLO Cc1cccc(CCCOCCOC(=O)c2nc(S(C)(=O)=O)n3ccccc23)[nH+]1 ZINC000745739361 1078623922 /nfs/dbraw/zinc/62/39/22/1078623922.db2.gz ZAOZDKMJTKXOIB-UHFFFAOYSA-N 1 2 417.487 2.247 20 0 HEADLO C[C@@H](NC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1)c1ccc(N2CCOC2=O)cc1 ZINC000745781659 1078640870 /nfs/dbraw/zinc/64/08/70/1078640870.db2.gz OUVGBRGIGVHIHJ-VQIMIIECSA-N 1 2 402.495 2.210 20 0 HEADLO CCN(CC1CCN(C(=O)NCC[N@@H+]2CCO[C@@H](C)C2)CC1)C(=O)OC(C)(C)C ZINC000745792136 1078649520 /nfs/dbraw/zinc/64/95/20/1078649520.db2.gz OVMCHCDZYHSANA-KRWDZBQOSA-N 1 2 412.575 2.386 20 0 HEADLO CCN(CC1CCN(C(=O)NCC[N@H+]2CCO[C@@H](C)C2)CC1)C(=O)OC(C)(C)C ZINC000745792136 1078649524 /nfs/dbraw/zinc/64/95/24/1078649524.db2.gz OVMCHCDZYHSANA-KRWDZBQOSA-N 1 2 412.575 2.386 20 0 HEADLO Cc1cc(N2CCN(C(=O)COC(=O)c3ccncc3Cl)CC2)nc(C(C)C)[nH+]1 ZINC000745769286 1078646877 /nfs/dbraw/zinc/64/68/77/1078646877.db2.gz VEDSPNZSIYVIQL-UHFFFAOYSA-N 1 2 417.897 2.462 20 0 HEADLO C[C@@H]1C[N@H+](CCNC(=O)N2C[C@H](CC(=O)N(C)C)c3cc(Cl)ccc32)CCO1 ZINC000745792087 1078648911 /nfs/dbraw/zinc/64/89/11/1078648911.db2.gz OSWDRURJYOBZDQ-CABCVRRESA-N 1 2 408.930 2.152 20 0 HEADLO C[C@@H]1C[N@@H+](CCNC(=O)N2C[C@H](CC(=O)N(C)C)c3cc(Cl)ccc32)CCO1 ZINC000745792087 1078648920 /nfs/dbraw/zinc/64/89/20/1078648920.db2.gz OSWDRURJYOBZDQ-CABCVRRESA-N 1 2 408.930 2.152 20 0 HEADLO C[C@@H]1C[N@H+](CCNC(=O)NCCOc2ncc(C(F)(F)F)cc2Cl)CCO1 ZINC000745794302 1078650588 /nfs/dbraw/zinc/65/05/88/1078650588.db2.gz YRIHKLSXXBWXPV-LLVKDONJSA-N 1 2 410.824 2.153 20 0 HEADLO C[C@@H]1C[N@@H+](CCNC(=O)NCCOc2ncc(C(F)(F)F)cc2Cl)CCO1 ZINC000745794302 1078650589 /nfs/dbraw/zinc/65/05/89/1078650589.db2.gz YRIHKLSXXBWXPV-LLVKDONJSA-N 1 2 410.824 2.153 20 0 HEADLO CCN(CC1CCN(C(=O)NCC[N@@H+]2CCOC[C@H]2C)CC1)C(=O)OC(C)(C)C ZINC000745803918 1078654042 /nfs/dbraw/zinc/65/40/42/1078654042.db2.gz XPDFEFXCQLYSIW-QGZVFWFLSA-N 1 2 412.575 2.386 20 0 HEADLO CCN(CC1CCN(C(=O)NCC[N@H+]2CCOC[C@H]2C)CC1)C(=O)OC(C)(C)C ZINC000745803918 1078654045 /nfs/dbraw/zinc/65/40/45/1078654045.db2.gz XPDFEFXCQLYSIW-QGZVFWFLSA-N 1 2 412.575 2.386 20 0 HEADLO CN(C)c1ccc([NH+]2CCC(NC(=O)N3CCC(NC(=O)C4CC4)CC3)CC2)cc1 ZINC000745869787 1078668625 /nfs/dbraw/zinc/66/86/25/1078668625.db2.gz LNAFAIZEJFNRHN-UHFFFAOYSA-N 1 2 413.566 2.422 20 0 HEADLO COC(=O)c1ccsc1N1CC[C@H]([N@@H+]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)C1=O ZINC000745942264 1078700760 /nfs/dbraw/zinc/70/07/60/1078700760.db2.gz GBJNIYWUPVXDLT-ZFWWWQNUSA-N 1 2 423.535 2.487 20 0 HEADLO COC(=O)c1ccsc1N1CC[C@H]([N@H+]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)C1=O ZINC000745942264 1078700765 /nfs/dbraw/zinc/70/07/65/1078700765.db2.gz GBJNIYWUPVXDLT-ZFWWWQNUSA-N 1 2 423.535 2.487 20 0 HEADLO NC(=O)c1ccc(C[NH+]2CCN(C(=O)Cc3cc(-c4ccccc4)on3)CC2)cc1 ZINC000746129589 1078800176 /nfs/dbraw/zinc/80/01/76/1078800176.db2.gz NIROSNHEOLSFFC-UHFFFAOYSA-N 1 2 404.470 2.327 20 0 HEADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000770276187 1078803836 /nfs/dbraw/zinc/80/38/36/1078803836.db2.gz PSSBBJAWBVCRPS-HNNXBMFYSA-N 1 2 405.499 2.358 20 0 HEADLO C[C@@H](CNC(=O)C[C@@H](NC(=O)OC(C)(C)C)c1ccccc1)[NH+]1CCN(C)CC1 ZINC000746162099 1078813242 /nfs/dbraw/zinc/81/32/42/1078813242.db2.gz WKKXWFWRUMLJDR-PKOBYXMFSA-N 1 2 404.555 2.395 20 0 HEADLO O=C(Nc1ccc(Cl)cn1)[C@@H]1CCC[N@H+](CN2C(=O)C[C@@]3(CCSC3)C2=O)C1 ZINC000746502157 1078817762 /nfs/dbraw/zinc/81/77/62/1078817762.db2.gz HIPCQHWDVWZAAK-BFUOFWGJSA-N 1 2 422.938 2.225 20 0 HEADLO O=C(Nc1ccc(Cl)cn1)[C@@H]1CCC[N@@H+](CN2C(=O)C[C@@]3(CCSC3)C2=O)C1 ZINC000746502157 1078817765 /nfs/dbraw/zinc/81/77/65/1078817765.db2.gz HIPCQHWDVWZAAK-BFUOFWGJSA-N 1 2 422.938 2.225 20 0 HEADLO COc1cccc(/C=C(\C(=O)N2CCC([N@H+](C)CC(F)F)CC2)n2nnnc2C)c1 ZINC000746323133 1078858424 /nfs/dbraw/zinc/85/84/24/1078858424.db2.gz FBZXRQJZIXCCDZ-LDADJPATSA-N 1 2 420.464 2.176 20 0 HEADLO COc1cccc(/C=C(\C(=O)N2CCC([N@@H+](C)CC(F)F)CC2)n2nnnc2C)c1 ZINC000746323133 1078858425 /nfs/dbraw/zinc/85/84/25/1078858425.db2.gz FBZXRQJZIXCCDZ-LDADJPATSA-N 1 2 420.464 2.176 20 0 HEADLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)Nc1ccnn1CCc1ccccc1 ZINC000746354837 1078871885 /nfs/dbraw/zinc/87/18/85/1078871885.db2.gz NKYDTHMNLGSGSU-GOSISDBHSA-N 1 2 408.506 2.492 20 0 HEADLO Cc1nnnn1/C(=C/c1ccccc1)C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000770663946 1078924260 /nfs/dbraw/zinc/92/42/60/1078924260.db2.gz FXAJEWJUBNYSDI-XMHGGMMESA-N 1 2 405.462 2.158 20 0 HEADLO O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)C(=O)Nc1ccc(Br)nc1 ZINC000766381747 1078931765 /nfs/dbraw/zinc/93/17/65/1078931765.db2.gz LNUNMCGYIMKBLV-UHFFFAOYSA-N 1 2 418.226 2.424 20 0 HEADLO CCOC(=O)NCCC(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000804269601 1078941907 /nfs/dbraw/zinc/94/19/07/1078941907.db2.gz ZDQBZNMOHHKNKT-UHFFFAOYSA-N 1 2 413.272 2.404 20 0 HEADLO COC(=O)C1=C(C[NH2+][C@H](CO)c2ccsc2)N(C)C(=O)N[C@@H]1c1ccccc1 ZINC000770690039 1078959614 /nfs/dbraw/zinc/95/96/14/1078959614.db2.gz VKUFPAUTOHYKAY-CRAIPNDOSA-N 1 2 401.488 2.195 20 0 HEADLO C[C@@H]1[C@@H](C)[N@H+](C)CCN1S(=O)(=O)C1CCN(C(=O)OCc2ccccc2)CC1 ZINC000770724387 1078950176 /nfs/dbraw/zinc/95/01/76/1078950176.db2.gz USYAWMALULXANM-IAGOWNOFSA-N 1 2 409.552 2.142 20 0 HEADLO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1S(=O)(=O)C1CCN(C(=O)OCc2ccccc2)CC1 ZINC000770724387 1078950182 /nfs/dbraw/zinc/95/01/82/1078950182.db2.gz USYAWMALULXANM-IAGOWNOFSA-N 1 2 409.552 2.142 20 0 HEADLO C[C@H](OC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1)C(=O)Nc1ccccc1 ZINC000766397838 1078951817 /nfs/dbraw/zinc/95/18/17/1078951817.db2.gz PLPUBKNMDBCDFO-KRWDZBQOSA-N 1 2 410.474 2.081 20 0 HEADLO Cc1ncn(-c2ccc(S(=O)(=O)Nc3nccs3)cn2)c1CSCC[NH3+] ZINC001168785977 1078990851 /nfs/dbraw/zinc/99/08/51/1078990851.db2.gz HFUOSLORSHDKGD-UHFFFAOYSA-N 1 2 410.550 2.025 20 0 HEADLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)C(=O)Nc3cnn(C)c3C3CC3)CC2)c1 ZINC000770739144 1078997555 /nfs/dbraw/zinc/99/75/55/1078997555.db2.gz RQBTYQCZULBWML-OAHLLOKOSA-N 1 2 411.506 2.150 20 0 HEADLO Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccc(S(=O)(=O)N(C)C)o3)C2)nc1 ZINC000746458518 1079000603 /nfs/dbraw/zinc/00/06/03/1079000603.db2.gz ZYUIOOOZUFIJON-OAHLLOKOSA-N 1 2 406.508 2.084 20 0 HEADLO Cc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccc(S(=O)(=O)N(C)C)o3)C2)nc1 ZINC000746458518 1079000612 /nfs/dbraw/zinc/00/06/12/1079000612.db2.gz ZYUIOOOZUFIJON-OAHLLOKOSA-N 1 2 406.508 2.084 20 0 HEADLO C[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)N1CC[NH+](CC[S@](C)=O)CC1 ZINC000746467446 1079017306 /nfs/dbraw/zinc/01/73/06/1079017306.db2.gz KPHDLGXFNWUENF-SLQAJWMNSA-N 1 2 413.587 2.277 20 0 HEADLO CC(C)CN(CC(C)C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[C@H]3CC[C@@H]1O3)C2 ZINC001109740622 1079038920 /nfs/dbraw/zinc/03/89/20/1079038920.db2.gz VBDVOEJKYQYSSC-SQDPYLFBSA-N 1 2 405.583 2.416 20 0 HEADLO CC(C)CN(CC(C)C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[C@H]3CC[C@@H]1O3)C2 ZINC001109740622 1079038922 /nfs/dbraw/zinc/03/89/22/1079038922.db2.gz VBDVOEJKYQYSSC-SQDPYLFBSA-N 1 2 405.583 2.416 20 0 HEADLO C[C@@H]1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)N(C)Cc2cccc(F)c2)O1 ZINC001109740628 1079038930 /nfs/dbraw/zinc/03/89/30/1079038930.db2.gz VEVHGUMKWMQMQW-JIKAWYKTSA-N 1 2 403.498 2.073 20 0 HEADLO C[C@@H]1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)N(C)Cc2cccc(F)c2)O1 ZINC001109740628 1079038936 /nfs/dbraw/zinc/03/89/36/1079038936.db2.gz VEVHGUMKWMQMQW-JIKAWYKTSA-N 1 2 403.498 2.073 20 0 HEADLO C[C@@H](NC(=O)c1ccccc1NC(=O)C[NH+]1CCC(NC(N)=O)CC1)c1ccccc1 ZINC000746481430 1079040275 /nfs/dbraw/zinc/04/02/75/1079040275.db2.gz HVEGVVDCPBTYME-MRXNPFEDSA-N 1 2 423.517 2.249 20 0 HEADLO COc1cc2ccccc2cc1-c1nnc(C[NH+]2CCC(CS(N)(=O)=O)CC2)o1 ZINC001168902123 1079063501 /nfs/dbraw/zinc/06/35/01/1079063501.db2.gz GKHURDSSTYMZOZ-UHFFFAOYSA-N 1 2 416.503 2.399 20 0 HEADLO NC(=O)C1CCN(c2cc(NC3CCN(C(=O)Nc4ccccc4)CC3)[nH+]cn2)CC1 ZINC001168936942 1079079316 /nfs/dbraw/zinc/07/93/16/1079079316.db2.gz WVTZCBHZILEUEH-UHFFFAOYSA-N 1 2 423.521 2.287 20 0 HEADLO NC(=O)C1CCN(c2cc(NC3CCN(C(=O)Nc4ccccc4)CC3)nc[nH+]2)CC1 ZINC001168936942 1079079320 /nfs/dbraw/zinc/07/93/20/1079079320.db2.gz WVTZCBHZILEUEH-UHFFFAOYSA-N 1 2 423.521 2.287 20 0 HEADLO CSC[C@H](C(=O)OCc1cccc2[nH+]ccn21)N1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000770920516 1079080848 /nfs/dbraw/zinc/08/08/48/1079080848.db2.gz KAUACIUYCQPVDT-HRCADAONSA-N 1 2 401.488 2.284 20 0 HEADLO CSc1ccc(OC[C@@H](O)C[N@@H+]2CCN(S(C)(=O)=O)c3ccccc3C2)cc1 ZINC001168958194 1079091728 /nfs/dbraw/zinc/09/17/28/1079091728.db2.gz PPQLGTJUKOGCOL-KRWDZBQOSA-N 1 2 422.572 2.430 20 0 HEADLO CSc1ccc(OC[C@@H](O)C[N@H+]2CCN(S(C)(=O)=O)c3ccccc3C2)cc1 ZINC001168958194 1079091730 /nfs/dbraw/zinc/09/17/30/1079091730.db2.gz PPQLGTJUKOGCOL-KRWDZBQOSA-N 1 2 422.572 2.430 20 0 HEADLO COc1ccc(C(=O)OCc2cccc3[nH+]ccn32)cc1S(=O)(=O)NC1CC1 ZINC000770922726 1079081231 /nfs/dbraw/zinc/08/12/31/1079081231.db2.gz QNJHWZUWCKIGEG-UHFFFAOYSA-N 1 2 401.444 2.141 20 0 HEADLO C[C@]1(c2cccc(Br)c2)C[C@@H]1C(=O)N1CCO[C@@H](C[NH+]2CCOCC2)C1 ZINC001169002376 1079096783 /nfs/dbraw/zinc/09/67/83/1079096783.db2.gz MQDCTBNVSATJRT-NLWGTHIKSA-N 1 2 423.351 2.286 20 0 HEADLO Cc1nc(NC2CC2)sc1C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000771015187 1079105072 /nfs/dbraw/zinc/10/50/72/1079105072.db2.gz GJHXMQDHVDZWOG-AWEZNQCLSA-N 1 2 400.552 2.361 20 0 HEADLO Cc1nc(NC2CC2)sc1C(=O)N[C@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000771015190 1079105096 /nfs/dbraw/zinc/10/50/96/1079105096.db2.gz GJHXMQDHVDZWOG-CQSZACIVSA-N 1 2 400.552 2.361 20 0 HEADLO O=S(=O)(CCC[NH+]1CCOCC1)NC[C@@H](O)c1ccc(-c2ccccc2)cc1 ZINC000766566820 1079113947 /nfs/dbraw/zinc/11/39/47/1079113947.db2.gz IUMKXCLDBJHANS-OAQYLSRUSA-N 1 2 404.532 2.029 20 0 HEADLO CCCN(CCNC(=O)C(=O)N[C@H]1C[N@H+](C)Cc2ccccc21)C(=O)OC(C)(C)C ZINC000804308260 1079132196 /nfs/dbraw/zinc/13/21/96/1079132196.db2.gz YGAOXBMJIPWYNV-SFHVURJKSA-N 1 2 418.538 2.053 20 0 HEADLO CCCN(CCNC(=O)C(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21)C(=O)OC(C)(C)C ZINC000804308260 1079132200 /nfs/dbraw/zinc/13/22/00/1079132200.db2.gz YGAOXBMJIPWYNV-SFHVURJKSA-N 1 2 418.538 2.053 20 0 HEADLO C[C@H]1C[N@H+](C[C@@H](O)c2cccc(Br)c2)CCN1c1nccn2cnnc12 ZINC000771121005 1079142035 /nfs/dbraw/zinc/14/20/35/1079142035.db2.gz NTAJGILFZOGMGR-XJKSGUPXSA-N 1 2 417.311 2.131 20 0 HEADLO C[C@H]1C[N@@H+](C[C@@H](O)c2cccc(Br)c2)CCN1c1nccn2cnnc12 ZINC000771121005 1079142042 /nfs/dbraw/zinc/14/20/42/1079142042.db2.gz NTAJGILFZOGMGR-XJKSGUPXSA-N 1 2 417.311 2.131 20 0 HEADLO CCCN(CCNC(=O)C(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1)C(=O)OC(C)(C)C ZINC000804309888 1079165253 /nfs/dbraw/zinc/16/52/53/1079165253.db2.gz PDXKGJJHWUBPJP-IRXDYDNUSA-N 1 2 421.542 2.056 20 0 HEADLO Cc1c(C(=O)OCC(=O)NCc2ccccc2C[NH+]2CCOCC2)cnn1C(C)C ZINC000771188009 1079214248 /nfs/dbraw/zinc/21/42/48/1079214248.db2.gz ULMDYTOJELFIFO-UHFFFAOYSA-N 1 2 414.506 2.078 20 0 HEADLO CCOC(=O)[C@@H]1CC[C@H]([N@H+]2Cc3nccn3C[C@H](COCc3cccnc3)C2)CO1 ZINC001169391777 1079260757 /nfs/dbraw/zinc/26/07/57/1079260757.db2.gz JZYWCYCNSYOVQY-UFYCRDLUSA-N 1 2 414.506 2.037 20 0 HEADLO CCOC(=O)[C@@H]1CC[C@H]([N@@H+]2Cc3nccn3C[C@H](COCc3cccnc3)C2)CO1 ZINC001169391777 1079260765 /nfs/dbraw/zinc/26/07/65/1079260765.db2.gz JZYWCYCNSYOVQY-UFYCRDLUSA-N 1 2 414.506 2.037 20 0 HEADLO COc1ccc(OC)c([C@H](O)CNC(=O)CNc2cccc(Cc3ccncc3)[nH+]2)c1 ZINC001169442061 1079292627 /nfs/dbraw/zinc/29/26/27/1079292627.db2.gz PMQJSMRZDMFUFY-HXUWFJFHSA-N 1 2 422.485 2.346 20 0 HEADLO COC(=O)c1cc(OC)nc(N[C@@H]2C[C@@H](C(=O)OCc3ccccc3)CCC[NH2+]2)n1 ZINC001169504510 1079316404 /nfs/dbraw/zinc/31/64/04/1079316404.db2.gz PDMKZHBYYXBUTM-DOTOQJQBSA-N 1 2 414.462 2.143 20 0 HEADLO CCOC(=O)[C@H]1CCC[N@@H+]1C[C@H](O)c1ccc2c(c1)CN(C(=O)C(F)(F)F)CC2 ZINC001169520359 1079321499 /nfs/dbraw/zinc/32/14/99/1079321499.db2.gz VYCRDXZUKXBDLD-SJORKVTESA-N 1 2 414.424 2.195 20 0 HEADLO CCOC(=O)[C@H]1CCC[N@H+]1C[C@H](O)c1ccc2c(c1)CN(C(=O)C(F)(F)F)CC2 ZINC001169520359 1079321502 /nfs/dbraw/zinc/32/15/02/1079321502.db2.gz VYCRDXZUKXBDLD-SJORKVTESA-N 1 2 414.424 2.195 20 0 HEADLO C[N@@H+]1CCN(C(=O)CCc2cccc3c2OCO3)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000771399963 1079322691 /nfs/dbraw/zinc/32/26/91/1079322691.db2.gz VJNYNCAVDCHDJO-INIZCTEOSA-N 1 2 405.495 2.015 20 0 HEADLO C[N@H+]1CCN(C(=O)CCc2cccc3c2OCO3)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000771399963 1079322702 /nfs/dbraw/zinc/32/27/02/1079322702.db2.gz VJNYNCAVDCHDJO-INIZCTEOSA-N 1 2 405.495 2.015 20 0 HEADLO CCOC(=O)c1sc2nc(C[NH+](C)C)nc(Nc3c[nH]nc3C(=O)OC)c2c1C ZINC001169572454 1079334607 /nfs/dbraw/zinc/33/46/07/1079334607.db2.gz VUIYGJDADIYEMI-UHFFFAOYSA-N 1 2 418.479 2.491 20 0 HEADLO [NH3+]Cc1ccc2c(n1)N(c1ccc(S(=O)(=O)Nc3nccs3)cn1)CCC2 ZINC001169590426 1079336791 /nfs/dbraw/zinc/33/67/91/1079336791.db2.gz LMVPJHPGOREVCO-UHFFFAOYSA-N 1 2 402.505 2.277 20 0 HEADLO CC(=O)N1CCC[C@@H](N2CCO[C@H](c3[nH+]cn4c3cccc4Br)C2)C1 ZINC001169602566 1079341138 /nfs/dbraw/zinc/34/11/38/1079341138.db2.gz IQCLDBIFUKWMIW-ZBFHGGJFSA-N 1 2 407.312 2.481 20 0 HEADLO O=C(N[C@H]1CCc2c[nH+]cn2C1)c1ccnc(Cl)c1I ZINC000804333703 1079378418 /nfs/dbraw/zinc/37/84/18/1079378418.db2.gz PRZRFFGKNKNXDT-QMMMGPOBSA-N 1 2 402.623 2.281 20 0 HEADLO CCC[N@H+](CC(=O)N(C)Cc1cc(Cl)cc(Cl)c1)[C@H]1CC(=O)N(C)C1=O ZINC001169674873 1079378795 /nfs/dbraw/zinc/37/87/95/1079378795.db2.gz FDIQNNHTYWWQHA-HNNXBMFYSA-N 1 2 400.306 2.421 20 0 HEADLO CCC[N@@H+](CC(=O)N(C)Cc1cc(Cl)cc(Cl)c1)[C@H]1CC(=O)N(C)C1=O ZINC001169674873 1079378800 /nfs/dbraw/zinc/37/88/00/1079378800.db2.gz FDIQNNHTYWWQHA-HNNXBMFYSA-N 1 2 400.306 2.421 20 0 HEADLO Cc1ccc(N2N=C(Br)C[C@H]2C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000771557999 1079384775 /nfs/dbraw/zinc/38/47/75/1079384775.db2.gz AZXNXHHRTFGOMC-SJORKVTESA-N 1 2 421.339 2.215 20 0 HEADLO CCOC(=O)N1CCC[C@H]([N@@H+]2C[C@@H](NC(=O)OC(C)(C)C)C[C@H]2C(=O)OC)CC1 ZINC001169710476 1079381292 /nfs/dbraw/zinc/38/12/92/1079381292.db2.gz ONHZHPBAMQOSIB-JYJNAYRXSA-N 1 2 413.515 2.138 20 0 HEADLO CCOC(=O)N1CCC[C@H]([N@H+]2C[C@@H](NC(=O)OC(C)(C)C)C[C@H]2C(=O)OC)CC1 ZINC001169710476 1079381295 /nfs/dbraw/zinc/38/12/95/1079381295.db2.gz ONHZHPBAMQOSIB-JYJNAYRXSA-N 1 2 413.515 2.138 20 0 HEADLO CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H]2CCc3c[nH+]cn3C2)c1 ZINC000804335930 1079382288 /nfs/dbraw/zinc/38/22/88/1079382288.db2.gz GHEHGZKTRWQPGN-CYBMUJFWSA-N 1 2 410.927 2.310 20 0 HEADLO O=C(Cn1cnc2sc(-c3ccccc3)cc2c1=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000804335342 1079382591 /nfs/dbraw/zinc/38/25/91/1079382591.db2.gz WVSCBOUTSAUWJJ-HNNXBMFYSA-N 1 2 405.483 2.453 20 0 HEADLO COC(OC)c1ccc(C(=O)NCCC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)o1 ZINC000771609392 1079395356 /nfs/dbraw/zinc/39/53/56/1079395356.db2.gz FSFUHXOVCFBWJF-UHFFFAOYSA-N 1 2 411.499 2.244 20 0 HEADLO COC(=O)C(C)(C)[C@@H]1CCC[N@H+](Cn2nnc(-c3ccc(OC)c(OC)c3)n2)C1 ZINC000771626607 1079410569 /nfs/dbraw/zinc/41/05/69/1079410569.db2.gz NHCJULAQPUWFBJ-OAHLLOKOSA-N 1 2 403.483 2.226 20 0 HEADLO COC(=O)C(C)(C)[C@@H]1CCC[N@@H+](Cn2nnc(-c3ccc(OC)c(OC)c3)n2)C1 ZINC000771626607 1079410576 /nfs/dbraw/zinc/41/05/76/1079410576.db2.gz NHCJULAQPUWFBJ-OAHLLOKOSA-N 1 2 403.483 2.226 20 0 HEADLO O[C@@H](C[NH+]1CCC(O)(c2scnc2Br)CC1)CC1(O)CCCC1 ZINC001169790567 1079421584 /nfs/dbraw/zinc/42/15/84/1079421584.db2.gz AXKKDABLKMXSCA-GFCCVEGCSA-N 1 2 405.358 2.245 20 0 HEADLO CCC[C@@H]1CN(S(=O)(=O)c2c(Cl)nc3sccn32)CC[N@@H+]1CCOC ZINC000766851918 1079438754 /nfs/dbraw/zinc/43/87/54/1079438754.db2.gz WWNDUSKHDGUMFR-GFCCVEGCSA-N 1 2 406.961 2.171 20 0 HEADLO CCC[C@@H]1CN(S(=O)(=O)c2c(Cl)nc3sccn32)CC[N@H+]1CCOC ZINC000766851918 1079438762 /nfs/dbraw/zinc/43/87/62/1079438762.db2.gz WWNDUSKHDGUMFR-GFCCVEGCSA-N 1 2 406.961 2.171 20 0 HEADLO COC(=O)C(C)(C)[C@H]1CCC[N@H+](CN2C(=O)C(=O)N([C@H](C)c3ccccc3)C2=O)C1 ZINC000771632629 1079441645 /nfs/dbraw/zinc/44/16/45/1079441645.db2.gz RVBSPCIBVVEDJG-WBVHZDCISA-N 1 2 415.490 2.407 20 0 HEADLO COC(=O)C(C)(C)[C@H]1CCC[N@@H+](CN2C(=O)C(=O)N([C@H](C)c3ccccc3)C2=O)C1 ZINC000771632629 1079441650 /nfs/dbraw/zinc/44/16/50/1079441650.db2.gz RVBSPCIBVVEDJG-WBVHZDCISA-N 1 2 415.490 2.407 20 0 HEADLO CCOC1CC(CNC(=O)Nc2ccc3oc(=O)ccc3c2)([NH+]2CCOCC2)C1 ZINC000766854740 1079442162 /nfs/dbraw/zinc/44/21/62/1079442162.db2.gz ONUMJZMMMPYGIB-UHFFFAOYSA-N 1 2 401.463 2.184 20 0 HEADLO CS(=O)(=O)C1CCC([N@@H+]2CCO[C@@H]3[C@@H](COCc4nccs4)CC[C@@H]32)CC1 ZINC001169880563 1079454752 /nfs/dbraw/zinc/45/47/52/1079454752.db2.gz OZFNJLMDSDVSIK-BDATZHSQSA-N 1 2 414.593 2.495 20 0 HEADLO CS(=O)(=O)C1CCC([N@H+]2CCO[C@@H]3[C@@H](COCc4nccs4)CC[C@@H]32)CC1 ZINC001169880563 1079454755 /nfs/dbraw/zinc/45/47/55/1079454755.db2.gz OZFNJLMDSDVSIK-BDATZHSQSA-N 1 2 414.593 2.495 20 0 HEADLO Cc1cccc(CO[C@@H]2CC[C@H]3[C@H]2OCC[N@@H+]3C2CCC(S(C)(=O)=O)CC2)n1 ZINC001169884128 1079457757 /nfs/dbraw/zinc/45/77/57/1079457757.db2.gz XPPMRPNNFASPKV-JRGKDQQJSA-N 1 2 408.564 2.494 20 0 HEADLO Cc1cccc(CO[C@@H]2CC[C@H]3[C@H]2OCC[N@H+]3C2CCC(S(C)(=O)=O)CC2)n1 ZINC001169884128 1079457761 /nfs/dbraw/zinc/45/77/61/1079457761.db2.gz XPPMRPNNFASPKV-JRGKDQQJSA-N 1 2 408.564 2.494 20 0 HEADLO CS(=O)(=O)C1CCC([NH+]2CCN(c3ccc4oc(C(N)=O)cc4c3)CC2)CC1 ZINC001169893331 1079466690 /nfs/dbraw/zinc/46/66/90/1079466690.db2.gz ARQJYYMYZNGSOP-UHFFFAOYSA-N 1 2 405.520 2.010 20 0 HEADLO COC(=O)C[C@H]1CN(Cc2ccccc2)CC[N@@H+]1C1CCC(S(C)(=O)=O)CC1 ZINC001169894285 1079467368 /nfs/dbraw/zinc/46/73/68/1079467368.db2.gz XZDWRHPTWNJWIL-GPJFCIFZSA-N 1 2 408.564 2.092 20 0 HEADLO COC(=O)C[C@H]1CN(Cc2ccccc2)CC[N@H+]1C1CCC(S(C)(=O)=O)CC1 ZINC001169894285 1079467371 /nfs/dbraw/zinc/46/73/71/1079467371.db2.gz XZDWRHPTWNJWIL-GPJFCIFZSA-N 1 2 408.564 2.092 20 0 HEADLO CN(C)C(=O)Sc1cccc(C[NH+]2CCC(N3CCS(=O)(=O)CC3)CC2)c1 ZINC000766874839 1079471140 /nfs/dbraw/zinc/47/11/40/1079471140.db2.gz QVADGPNQTCLPSU-UHFFFAOYSA-N 1 2 411.593 2.155 20 0 HEADLO Cc1c(C(=O)Nc2cc(N3CCN(C(=O)OC(C)(C)C)CC3)cc[nH+]2)cnn1C ZINC001169904296 1079471634 /nfs/dbraw/zinc/47/16/34/1079471634.db2.gz JBTFMNOVVCWELF-UHFFFAOYSA-N 1 2 400.483 2.433 20 0 HEADLO CN(C[C@H]1CC[N@@H+]1CC(=O)NC1CCCCCCC1)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001085733280 1075968134 /nfs/dbraw/zinc/96/81/34/1075968134.db2.gz ZYNIBGYAGRNCQD-YENHRIDLSA-N 1 2 403.567 2.172 20 0 HEADLO CN(C[C@H]1CC[N@H+]1CC(=O)NC1CCCCCCC1)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001085733280 1075968141 /nfs/dbraw/zinc/96/81/41/1075968141.db2.gz ZYNIBGYAGRNCQD-YENHRIDLSA-N 1 2 403.567 2.172 20 0 HEADLO O=C(Nc1ccc(F)cc1)C1CC[NH+](CN2C(=O)C(=O)N(C3CCCC3)C2=O)CC1 ZINC000738147859 1075968672 /nfs/dbraw/zinc/96/86/72/1075968672.db2.gz CRJCGSNFBWXSMW-UHFFFAOYSA-N 1 2 416.453 2.167 20 0 HEADLO O=c1c(Br)c(Br)cnn1CN1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000738156035 1075970422 /nfs/dbraw/zinc/97/04/22/1075970422.db2.gz ACLIIKKIBMGIIO-SNVBAGLBSA-N 1 2 417.105 2.259 20 0 HEADLO CCn1c2ccccc2n(CN2CC[NH+]([C@@H](C)C(=O)NCCCOC)CC2)c1=S ZINC000738172846 1075973010 /nfs/dbraw/zinc/97/30/10/1075973010.db2.gz WRTDHNPSYCHWPE-KRWDZBQOSA-N 1 2 419.595 2.308 20 0 HEADLO O=C(NCCN1CC[NH+](C[C@H](O)c2ccc(F)cc2F)CC1)c1ccccc1F ZINC000738328197 1075982490 /nfs/dbraw/zinc/98/24/90/1075982490.db2.gz ACDIOXWUFORGFX-FQEVSTJZSA-N 1 2 407.436 2.185 20 0 HEADLO CC(C)n1ccn(CN2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)c1=S ZINC000738288630 1075985004 /nfs/dbraw/zinc/98/50/04/1075985004.db2.gz ITBRNFQSMLCYAD-UHFFFAOYSA-N 1 2 403.556 2.006 20 0 HEADLO CCOC(=O)C1C(C[N@H+]2CCC[C@H](OCC)C2)=NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000738321379 1075989374 /nfs/dbraw/zinc/98/93/74/1075989374.db2.gz VVJOJJGDMOWNQT-FXAWDEMLSA-N 1 2 417.506 2.367 20 0 HEADLO CCOC(=O)C1C(C[N@@H+]2CCC[C@H](OCC)C2)=NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000738321379 1075989378 /nfs/dbraw/zinc/98/93/78/1075989378.db2.gz VVJOJJGDMOWNQT-FXAWDEMLSA-N 1 2 417.506 2.367 20 0 HEADLO CCOC(=O)C1=C(C[N@H+]2CCC[C@H](OCC)C2)NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000738321379 1075989381 /nfs/dbraw/zinc/98/93/81/1075989381.db2.gz VVJOJJGDMOWNQT-FXAWDEMLSA-N 1 2 417.506 2.367 20 0 HEADLO CCOC(=O)C1=C(C[N@@H+]2CCC[C@H](OCC)C2)NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000738321379 1075989385 /nfs/dbraw/zinc/98/93/85/1075989385.db2.gz VVJOJJGDMOWNQT-FXAWDEMLSA-N 1 2 417.506 2.367 20 0 HEADLO C[C@H](CNS(=O)(=O)/C=C/c1ccccc1Br)C[NH+]1CCOCC1 ZINC000738412601 1075995643 /nfs/dbraw/zinc/99/56/43/1075995643.db2.gz GRJGAZOQGFEFHC-JBNJFFQFSA-N 1 2 403.342 2.308 20 0 HEADLO Cc1ccccc1[C@H]1C[C@H](C)N(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC000738472794 1076003832 /nfs/dbraw/zinc/00/38/32/1076003832.db2.gz SAQKKFQWJDAMQP-ROUUACIJSA-N 1 2 407.580 2.391 20 0 HEADLO O=C(Nc1ccc2[nH+]ccn2c1)N1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000738947522 1076027459 /nfs/dbraw/zinc/02/74/59/1076027459.db2.gz CACUHWTUMDFYHS-UHFFFAOYSA-N 1 2 405.505 2.371 20 0 HEADLO C[C@@H]1COCCN1c1ccc(NC(=O)C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000739082308 1076039811 /nfs/dbraw/zinc/03/98/11/1076039811.db2.gz RQSUOIZVCPEMOD-QGZVFWFLSA-N 1 2 419.485 2.352 20 0 HEADLO CC(C)(C)OC(=O)NC(C)(C)CC(=O)N1CC[NH+](Cc2ccc(C(N)=O)cc2)CC1 ZINC000739695913 1076072955 /nfs/dbraw/zinc/07/29/55/1076072955.db2.gz DHENCFAOOHTBLA-UHFFFAOYSA-N 1 2 418.538 2.123 20 0 HEADLO CN(C)S(=O)(=O)c1ccc(C[NH+]2CCN(Cc3ccc(Cl)nc3)CC2)cc1 ZINC000766245073 1076121069 /nfs/dbraw/zinc/12/10/69/1076121069.db2.gz XXYDWPNTHMLEDR-UHFFFAOYSA-N 1 2 408.955 2.303 20 0 HEADLO C[N@@H+]1CCO[C@H]([C@@H](NC(=O)NCCOc2cccnc2)c2ccc(Cl)cc2)C1 ZINC000766248966 1076135567 /nfs/dbraw/zinc/13/55/67/1076135567.db2.gz RIDAYVVKLBBYHV-OALUTQOASA-N 1 2 404.898 2.485 20 0 HEADLO C[N@H+]1CCO[C@H]([C@@H](NC(=O)NCCOc2cccnc2)c2ccc(Cl)cc2)C1 ZINC000766248966 1076135572 /nfs/dbraw/zinc/13/55/72/1076135572.db2.gz RIDAYVVKLBBYHV-OALUTQOASA-N 1 2 404.898 2.485 20 0 HEADLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)Nc1ccc(O[C@@H]2CCOC2)cc1 ZINC000740490492 1076171819 /nfs/dbraw/zinc/17/18/19/1076171819.db2.gz DSGFTYVMPGTCBJ-MSOLQXFVSA-N 1 2 400.479 2.220 20 0 HEADLO O=C(NCc1ccccc1C[NH+]1CCOCC1)NC[C@@H](O)c1c(F)cccc1F ZINC000740903454 1076297371 /nfs/dbraw/zinc/29/73/71/1076297371.db2.gz OVFUQVQYVDZMDP-LJQANCHMSA-N 1 2 405.445 2.330 20 0 HEADLO Cc1cc(Cl)ncc1NC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000766259507 1076320326 /nfs/dbraw/zinc/32/03/26/1076320326.db2.gz ULLQKSCFVKIFGH-UHFFFAOYSA-N 1 2 417.901 2.024 20 0 HEADLO Cc1cc(Cl)ncc1NC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000766259507 1076320332 /nfs/dbraw/zinc/32/03/32/1076320332.db2.gz ULLQKSCFVKIFGH-UHFFFAOYSA-N 1 2 417.901 2.024 20 0 HEADLO CC[NH+](CC)[C@@H](C(=O)OCC(=O)N1CCNC1=O)c1cccc(C(F)(F)F)c1 ZINC000741025386 1076341605 /nfs/dbraw/zinc/34/16/05/1076341605.db2.gz FXXBTAPHUYBBRG-OAHLLOKOSA-N 1 2 401.385 2.183 20 0 HEADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)NC[C@@H](O)c2c(F)cccc2F)CC1 ZINC000741056274 1076346432 /nfs/dbraw/zinc/34/64/32/1076346432.db2.gz CIZVMPJGLBYNAN-GOSISDBHSA-N 1 2 418.444 2.208 20 0 HEADLO C[C@@H](c1cccc(NC(=O)C(=O)NC[C@](C)(O)c2ccsc2)c1)[NH+]1CCOCC1 ZINC000741106975 1076360281 /nfs/dbraw/zinc/36/02/81/1076360281.db2.gz CNKSVCOQJQCUKW-BTYIYWSLSA-N 1 2 417.531 2.104 20 0 HEADLO O=C(C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)OCCN1C(=O)c2ccccc2C1=O ZINC000741358039 1076482739 /nfs/dbraw/zinc/48/27/39/1076482739.db2.gz WSEUQYSHNHOYLV-GOSISDBHSA-N 1 2 408.454 2.117 20 0 HEADLO O=C(C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)OCCN1C(=O)c2ccccc2C1=O ZINC000741358039 1076482748 /nfs/dbraw/zinc/48/27/48/1076482748.db2.gz WSEUQYSHNHOYLV-GOSISDBHSA-N 1 2 408.454 2.117 20 0 HEADLO Cc1nn(C)c(C)c1NC(=O)[C@@H](C)OC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000741350813 1076491537 /nfs/dbraw/zinc/49/15/37/1076491537.db2.gz BPSJPZMDEUJQTP-MJGOQNOKSA-N 1 2 414.506 2.198 20 0 HEADLO Cc1nn(C)c(C)c1NC(=O)[C@@H](C)OC(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000741350813 1076491541 /nfs/dbraw/zinc/49/15/41/1076491541.db2.gz BPSJPZMDEUJQTP-MJGOQNOKSA-N 1 2 414.506 2.198 20 0 HEADLO O=C(COC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)NCc1cc(F)cc(F)c1 ZINC000741354563 1076493475 /nfs/dbraw/zinc/49/34/75/1076493475.db2.gz NDRHQSMEDFHARG-HXUWFJFHSA-N 1 2 418.440 2.415 20 0 HEADLO O=C(COC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)NCc1cc(F)cc(F)c1 ZINC000741354563 1076493483 /nfs/dbraw/zinc/49/34/83/1076493483.db2.gz NDRHQSMEDFHARG-HXUWFJFHSA-N 1 2 418.440 2.415 20 0 HEADLO CC(C)[C@H](OC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1)C(=O)NCc1ccco1 ZINC000741388133 1076495598 /nfs/dbraw/zinc/49/55/98/1076495598.db2.gz RCDPFXSPGAFUKD-PMACEKPBSA-N 1 2 400.475 2.365 20 0 HEADLO CC(C)[C@H](OC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)C(=O)NCc1ccco1 ZINC000741388133 1076495600 /nfs/dbraw/zinc/49/56/00/1076495600.db2.gz RCDPFXSPGAFUKD-PMACEKPBSA-N 1 2 400.475 2.365 20 0 HEADLO CC(C)[C@@H](OC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1)C(=O)NCc1ccco1 ZINC000741388135 1076495683 /nfs/dbraw/zinc/49/56/83/1076495683.db2.gz RCDPFXSPGAFUKD-VQTJNVASSA-N 1 2 400.475 2.365 20 0 HEADLO CC(C)[C@@H](OC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)C(=O)NCc1ccco1 ZINC000741388135 1076495686 /nfs/dbraw/zinc/49/56/86/1076495686.db2.gz RCDPFXSPGAFUKD-VQTJNVASSA-N 1 2 400.475 2.365 20 0 HEADLO Cc1cccc(C)c1-n1nnnc1COC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000741381485 1076506376 /nfs/dbraw/zinc/50/63/76/1076506376.db2.gz CTVGQHSCARBTPM-IBGZPJMESA-N 1 2 407.474 2.223 20 0 HEADLO Cc1cccc(C)c1-n1nnnc1COC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000741381485 1076506378 /nfs/dbraw/zinc/50/63/78/1076506378.db2.gz CTVGQHSCARBTPM-IBGZPJMESA-N 1 2 407.474 2.223 20 0 HEADLO O=C(COC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1)N1CCc2sccc2C1 ZINC000741383218 1076506568 /nfs/dbraw/zinc/50/65/68/1076506568.db2.gz SXRMQHZESIDCLN-SFHVURJKSA-N 1 2 400.500 2.077 20 0 HEADLO O=C(COC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CCc2sccc2C1 ZINC000741383218 1076506575 /nfs/dbraw/zinc/50/65/75/1076506575.db2.gz SXRMQHZESIDCLN-SFHVURJKSA-N 1 2 400.500 2.077 20 0 HEADLO COc1ccc(NC(=O)COC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cc1OC ZINC000741383883 1076507546 /nfs/dbraw/zinc/50/75/46/1076507546.db2.gz OYTDEYLMGBGGCE-FQEVSTJZSA-N 1 2 414.458 2.087 20 0 HEADLO COc1ccc(NC(=O)COC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1OC ZINC000741383883 1076507549 /nfs/dbraw/zinc/50/75/49/1076507549.db2.gz OYTDEYLMGBGGCE-FQEVSTJZSA-N 1 2 414.458 2.087 20 0 HEADLO Cc1ccccc1CCNC(=O)[C@@H](C)OC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000741383357 1076508140 /nfs/dbraw/zinc/50/81/40/1076508140.db2.gz LYSLOGNLNCISGI-DENIHFKCSA-N 1 2 410.514 2.486 20 0 HEADLO Cc1ccccc1CCNC(=O)[C@@H](C)OC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000741383357 1076508148 /nfs/dbraw/zinc/50/81/48/1076508148.db2.gz LYSLOGNLNCISGI-DENIHFKCSA-N 1 2 410.514 2.486 20 0 HEADLO CCN1C[C@H](C[N@H+](C)[C@@H](C)C(=O)Nc2sccc2C(N)=O)Oc2ccccc21 ZINC000741614673 1076555724 /nfs/dbraw/zinc/55/57/24/1076555724.db2.gz FZMUGYVOGUMPTE-KBPBESRZSA-N 1 2 402.520 2.393 20 0 HEADLO CCN1C[C@H](C[N@@H+](C)[C@@H](C)C(=O)Nc2sccc2C(N)=O)Oc2ccccc21 ZINC000741614673 1076555729 /nfs/dbraw/zinc/55/57/29/1076555729.db2.gz FZMUGYVOGUMPTE-KBPBESRZSA-N 1 2 402.520 2.393 20 0 HEADLO O=C1O[C@@H](C[NH+]2CCN([C@H]3CCN(c4ccccc4)C3=O)CC2)CN1c1ccccc1 ZINC000741788449 1076627872 /nfs/dbraw/zinc/62/78/72/1076627872.db2.gz WVHZERIUWASNBN-VXKWHMMOSA-N 1 2 420.513 2.435 20 0 HEADLO CC(C)(C)OC(=O)N(CC(=O)N1CCN(c2cccc[nH+]2)CC1)C[C@@H]1CCCO1 ZINC000741881109 1076663583 /nfs/dbraw/zinc/66/35/83/1076663583.db2.gz PLLTVJUYIIVEPY-KRWDZBQOSA-N 1 2 404.511 2.146 20 0 HEADLO COCCCOC1CC[NH+](CN2C(=O)C(=O)N(c3ccc(C)cc3C)C2=O)CC1 ZINC000742152702 1076767848 /nfs/dbraw/zinc/76/78/48/1076767848.db2.gz KPYJLJDFMPNSSW-UHFFFAOYSA-N 1 2 403.479 2.074 20 0 HEADLO C[C@@H]1CCC[C@@H](C)[N@H+](CN2C(=O)N[C@@](C)(c3ccc(S(C)(=O)=O)cc3)C2=O)C1 ZINC000742156410 1076770032 /nfs/dbraw/zinc/77/00/32/1076770032.db2.gz WDHWTTIXJBRMFE-SXGZJXTBSA-N 1 2 407.536 2.325 20 0 HEADLO C[C@@H]1CCC[C@@H](C)[N@@H+](CN2C(=O)N[C@@](C)(c3ccc(S(C)(=O)=O)cc3)C2=O)C1 ZINC000742156410 1076770038 /nfs/dbraw/zinc/77/00/38/1076770038.db2.gz WDHWTTIXJBRMFE-SXGZJXTBSA-N 1 2 407.536 2.325 20 0 HEADLO Cc1nn(C[N@@H+]2CC[C@H](COCc3ccccc3)C2)c(=S)n1CC(=O)N(C)C ZINC000742177650 1076793164 /nfs/dbraw/zinc/79/31/64/1076793164.db2.gz XMOBZRRSMHIGGS-SFHVURJKSA-N 1 2 403.552 2.307 20 0 HEADLO Cc1nn(C[N@H+]2CC[C@H](COCc3ccccc3)C2)c(=S)n1CC(=O)N(C)C ZINC000742177650 1076793168 /nfs/dbraw/zinc/79/31/68/1076793168.db2.gz XMOBZRRSMHIGGS-SFHVURJKSA-N 1 2 403.552 2.307 20 0 HEADLO C[N@H+](CC(F)F)C1CCN(C(=O)C2CCN(C(=O)COc3ccccc3)CC2)CC1 ZINC000742236731 1076802933 /nfs/dbraw/zinc/80/29/33/1076802933.db2.gz FBBOIJAFPRQIKV-UHFFFAOYSA-N 1 2 423.504 2.492 20 0 HEADLO C[N@@H+](CC(F)F)C1CCN(C(=O)C2CCN(C(=O)COc3ccccc3)CC2)CC1 ZINC000742236731 1076802934 /nfs/dbraw/zinc/80/29/34/1076802934.db2.gz FBBOIJAFPRQIKV-UHFFFAOYSA-N 1 2 423.504 2.492 20 0 HEADLO Cc1nn(C)c(Cl)c1S(=O)(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000742317598 1076828618 /nfs/dbraw/zinc/82/86/18/1076828618.db2.gz OFSNMZGXWFNMEM-UHFFFAOYSA-N 1 2 411.959 2.395 20 0 HEADLO Cc1noc(-c2ccc(N[C@H]3CCCN(c4cc(N5CCOCC5)nc[nH+]4)C3)nc2)n1 ZINC000742407714 1076835206 /nfs/dbraw/zinc/83/52/06/1076835206.db2.gz WAZVMLFJYIFBNV-KRWDZBQOSA-N 1 2 422.493 2.148 20 0 HEADLO Cc1noc(-c2ccc(N[C@H]3CCCN(c4cc(N5CCOCC5)[nH+]cn4)C3)nc2)n1 ZINC000742407714 1076835208 /nfs/dbraw/zinc/83/52/08/1076835208.db2.gz WAZVMLFJYIFBNV-KRWDZBQOSA-N 1 2 422.493 2.148 20 0 HEADLO O=C1OCCN1c1cccc2c1CCN(c1cc(N3CCC[C@@H](CO)C3)[nH+]cn1)C2 ZINC000742423808 1076837148 /nfs/dbraw/zinc/83/71/48/1076837148.db2.gz VRTHWOUYDVVSTI-MRXNPFEDSA-N 1 2 409.490 2.205 20 0 HEADLO O=C1OCCN1c1cccc2c1CCN(c1cc(N3CCC[C@@H](CO)C3)nc[nH+]1)C2 ZINC000742423808 1076837149 /nfs/dbraw/zinc/83/71/49/1076837149.db2.gz VRTHWOUYDVVSTI-MRXNPFEDSA-N 1 2 409.490 2.205 20 0 HEADLO N=C1NC(=O)[C@H](CC(=O)N2CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3)CC2)S1 ZINC000742501496 1076845817 /nfs/dbraw/zinc/84/58/17/1076845817.db2.gz PCCDEEIITJTJMW-AWEZNQCLSA-N 1 2 414.453 2.296 20 0 HEADLO N=C1NC(=O)[C@H](CC(=O)N2CCC[N@H+](Cc3ccc(C(F)(F)F)cc3)CC2)S1 ZINC000742501496 1076845820 /nfs/dbraw/zinc/84/58/20/1076845820.db2.gz PCCDEEIITJTJMW-AWEZNQCLSA-N 1 2 414.453 2.296 20 0 HEADLO N=C1NC(=O)C(CC(=O)N2CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3)CC2)S1 ZINC000742501496 1076845821 /nfs/dbraw/zinc/84/58/21/1076845821.db2.gz PCCDEEIITJTJMW-AWEZNQCLSA-N 1 2 414.453 2.296 20 0 HEADLO N=C1NC(=O)C(CC(=O)N2CCC[N@H+](Cc3ccc(C(F)(F)F)cc3)CC2)S1 ZINC000742501496 1076845822 /nfs/dbraw/zinc/84/58/22/1076845822.db2.gz PCCDEEIITJTJMW-AWEZNQCLSA-N 1 2 414.453 2.296 20 0 HEADLO CCCCCC[C@](C)(CC)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000742531392 1076848232 /nfs/dbraw/zinc/84/82/32/1076848232.db2.gz AFHINQHTWCTJMS-FQEVSTJZSA-N 1 2 416.632 2.010 20 0 HEADLO Cc1noc(C)c1C[NH+]1CCN(CN2C(=O)N[C@](C)(C3CCCCC3)C2=O)CC1 ZINC000742547722 1076850995 /nfs/dbraw/zinc/85/09/95/1076850995.db2.gz MVUHQKSXLJFJOV-OAQYLSRUSA-N 1 2 403.527 2.257 20 0 HEADLO CC(C)(C)OC(=O)N1CCC[C@H]1CC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000742576064 1076852793 /nfs/dbraw/zinc/85/27/93/1076852793.db2.gz XEWFFHSQCSLOCD-OXJNMPFZSA-N 1 2 413.584 2.100 20 0 HEADLO CC(C)=CC(=O)NCc1ccc(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)cc1 ZINC000742634276 1076859585 /nfs/dbraw/zinc/85/95/85/1076859585.db2.gz MXOOHLVRDJAKFD-UHFFFAOYSA-N 1 2 411.506 2.050 20 0 HEADLO O=C(/C=C\c1ccccc1)N1CCC(C(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)CC1 ZINC000742763117 1076874869 /nfs/dbraw/zinc/87/48/69/1076874869.db2.gz SUVJRHRDRCCZLD-FMFFHWJCSA-N 1 2 411.546 2.262 20 0 HEADLO Cn1ccnc1C[NH+]1CCC(C(=O)N2CCc3c(cccc3N3CCOC3=O)C2)CC1 ZINC000742795497 1076880559 /nfs/dbraw/zinc/88/05/59/1076880559.db2.gz RLBLTFKAMQVCGS-UHFFFAOYSA-N 1 2 423.517 2.174 20 0 HEADLO Cn1cc[nH+]c1C[C@@H](NC(=O)C[C@](O)(c1nccn1C)C(F)(F)F)c1ccccc1 ZINC000742858760 1076889538 /nfs/dbraw/zinc/88/95/38/1076889538.db2.gz NSKVMBDGADMHNW-BEFAXECRSA-N 1 2 421.423 2.394 20 0 HEADLO O=C(Nc1ccn(Cc2ccccn2)n1)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000743165560 1076984268 /nfs/dbraw/zinc/98/42/68/1076984268.db2.gz YMCUEGAKUCGNFM-NRFANRHFSA-N 1 2 420.517 2.391 20 0 HEADLO COC(=O)N(C)Cc1ccc(NC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)cc1 ZINC000743168571 1076985563 /nfs/dbraw/zinc/98/55/63/1076985563.db2.gz JZUKCAGACYISIC-UHFFFAOYSA-N 1 2 416.482 2.058 20 0 HEADLO CCOC(=O)Nc1ccc(NC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)cc1 ZINC000743169707 1076986429 /nfs/dbraw/zinc/98/64/29/1076986429.db2.gz ZCUAZPYHHFCOAE-UHFFFAOYSA-N 1 2 402.455 2.428 20 0 HEADLO C[C@]1(c2ccc(F)cc2Cl)NC(=O)N(CN2CCC[C@H]2C[NH+]2CCOCC2)C1=O ZINC000743373836 1077035041 /nfs/dbraw/zinc/03/50/41/1077035041.db2.gz COMFSQXYQMNDJK-MGPUTAFESA-N 1 2 424.904 2.000 20 0 HEADLO C[C@]1(c2ccc(F)cc2Cl)NC(=O)N(C[N@@H+]2CCC[C@H]2CN2CCOCC2)C1=O ZINC000743373836 1077035049 /nfs/dbraw/zinc/03/50/49/1077035049.db2.gz COMFSQXYQMNDJK-MGPUTAFESA-N 1 2 424.904 2.000 20 0 HEADLO C[C@]1(c2ccc(F)cc2Cl)NC(=O)N(C[N@H+]2CCC[C@H]2CN2CCOCC2)C1=O ZINC000743373836 1077035054 /nfs/dbraw/zinc/03/50/54/1077035054.db2.gz COMFSQXYQMNDJK-MGPUTAFESA-N 1 2 424.904 2.000 20 0 HEADLO COc1ccc(CCN2C(=O)C(=O)N(C[N@H+](C)CCc3cccs3)C2=O)cc1 ZINC000743384530 1077038373 /nfs/dbraw/zinc/03/83/73/1077038373.db2.gz PQFPEFDFDPPCQU-UHFFFAOYSA-N 1 2 401.488 2.222 20 0 HEADLO COc1ccc(CCN2C(=O)C(=O)N(C[N@@H+](C)CCc3cccs3)C2=O)cc1 ZINC000743384530 1077038378 /nfs/dbraw/zinc/03/83/78/1077038378.db2.gz PQFPEFDFDPPCQU-UHFFFAOYSA-N 1 2 401.488 2.222 20 0 HEADLO Cc1cccc(C2N=NC(=S)N2CCC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)c1 ZINC000743727941 1077097691 /nfs/dbraw/zinc/09/76/91/1077097691.db2.gz GWXINMQPIMSJGK-GOSISDBHSA-N 1 2 415.563 2.256 20 0 HEADLO CS(=O)(=O)c1ccc([C@H](O)C[N@@H+]2CCc3c(cccc3N3CCOC3=O)C2)cc1 ZINC000743857165 1077144285 /nfs/dbraw/zinc/14/42/85/1077144285.db2.gz APJUSWRQVGWSLQ-HXUWFJFHSA-N 1 2 416.499 2.138 20 0 HEADLO CS(=O)(=O)c1ccc([C@H](O)C[N@H+]2CCc3c(cccc3N3CCOC3=O)C2)cc1 ZINC000743857165 1077144291 /nfs/dbraw/zinc/14/42/91/1077144291.db2.gz APJUSWRQVGWSLQ-HXUWFJFHSA-N 1 2 416.499 2.138 20 0 HEADLO Cc1c(NC(=O)C(=O)NC2CCN(c3cccc[nH+]3)CC2)cccc1N1CCOC1=O ZINC000743884682 1077172709 /nfs/dbraw/zinc/17/27/09/1077172709.db2.gz SULKNJUFFJANEW-UHFFFAOYSA-N 1 2 423.473 2.070 20 0 HEADLO C[C@@H]1CN(C(=O)C(=O)Nc2cccc(-n3cc[nH+]c3)c2)CCN1C(=O)OC(C)(C)C ZINC000743938506 1077231228 /nfs/dbraw/zinc/23/12/28/1077231228.db2.gz DWFIQBOIMAUTGU-OAHLLOKOSA-N 1 2 413.478 2.279 20 0 HEADLO CN(C)C(=O)c1ccc(NC(=O)C[N@@H+]2CCC[C@@H]2CNC(=O)OC(C)(C)C)cc1 ZINC000744421154 1077379487 /nfs/dbraw/zinc/37/94/87/1077379487.db2.gz WRJACFQSAZQNRE-QGZVFWFLSA-N 1 2 404.511 2.316 20 0 HEADLO CN(C)C(=O)c1ccc(NC(=O)C[N@H+]2CCC[C@@H]2CNC(=O)OC(C)(C)C)cc1 ZINC000744421154 1077379492 /nfs/dbraw/zinc/37/94/92/1077379492.db2.gz WRJACFQSAZQNRE-QGZVFWFLSA-N 1 2 404.511 2.316 20 0 HEADLO COc1ccc(C(=O)NCCN2CC[NH+](C[C@H](O)c3cccc(Cl)c3)CC2)cc1 ZINC000744403104 1077381081 /nfs/dbraw/zinc/38/10/81/1077381081.db2.gz WJDWDBCRCKKWIG-NRFANRHFSA-N 1 2 417.937 2.430 20 0 HEADLO COc1ccc(C(=O)NCC[NH+]2CCN(C[C@H](O)c3cccc(Cl)c3)CC2)cc1 ZINC000744403104 1077381088 /nfs/dbraw/zinc/38/10/88/1077381088.db2.gz WJDWDBCRCKKWIG-NRFANRHFSA-N 1 2 417.937 2.430 20 0 HEADLO CCc1ccc(N2CC[NH+]([C@H](C)C(=O)Nc3cccc(S(N)(=O)=O)c3)CC2)cc1 ZINC000744422753 1077385937 /nfs/dbraw/zinc/38/59/37/1077385937.db2.gz SOLSGJZFEHIYEH-MRXNPFEDSA-N 1 2 416.547 2.046 20 0 HEADLO CCN(CC1CC[NH+]([C@H]2CC(=O)N(c3cnccn3)C2=O)CC1)C(=O)OC(C)(C)C ZINC000744428816 1077390832 /nfs/dbraw/zinc/39/08/32/1077390832.db2.gz GVZVNALKLZSMJU-INIZCTEOSA-N 1 2 417.510 2.078 20 0 HEADLO CCn1c2ccc(S(=O)(=O)N(C)C)cc2n(C[N@@H+]2CC[C@@H](CC(C)C)C2)c1=O ZINC000744437935 1077394200 /nfs/dbraw/zinc/39/42/00/1077394200.db2.gz IHKAEHDNGZOIFL-INIZCTEOSA-N 1 2 408.568 2.399 20 0 HEADLO CCn1c2ccc(S(=O)(=O)N(C)C)cc2n(C[N@H+]2CC[C@@H](CC(C)C)C2)c1=O ZINC000744437935 1077394208 /nfs/dbraw/zinc/39/42/08/1077394208.db2.gz IHKAEHDNGZOIFL-INIZCTEOSA-N 1 2 408.568 2.399 20 0 HEADLO C[N@@H+]1CCO[C@H]([C@@H](NC(=O)N2CCC3(CC2)OCCO3)c2ccc(Cl)cc2)C1 ZINC000766319640 1077443345 /nfs/dbraw/zinc/44/33/45/1077443345.db2.gz OSRDWZKLXVKFBH-ROUUACIJSA-N 1 2 409.914 2.260 20 0 HEADLO C[N@H+]1CCO[C@H]([C@@H](NC(=O)N2CCC3(CC2)OCCO3)c2ccc(Cl)cc2)C1 ZINC000766319640 1077443357 /nfs/dbraw/zinc/44/33/57/1077443357.db2.gz OSRDWZKLXVKFBH-ROUUACIJSA-N 1 2 409.914 2.260 20 0 HEADLO CC[NH+](CC)[C@H](C(=O)O[C@@H](C)C(=O)NC(=O)NCC(F)(F)F)c1ccccc1 ZINC000744995627 1077699751 /nfs/dbraw/zinc/69/97/51/1077699751.db2.gz GMYHBTDHBDLNCU-JSGCOSHPSA-N 1 2 403.401 2.389 20 0 HEADLO CC[N@H+](C)[C@@H](C(=O)OCC(=O)Nc1cccc(S(C)(=O)=O)c1)c1ccccc1 ZINC000745098150 1077730015 /nfs/dbraw/zinc/73/00/15/1077730015.db2.gz ANVNKIXCSNPEDQ-LJQANCHMSA-N 1 2 404.488 2.265 20 0 HEADLO CC[N@@H+](C)[C@@H](C(=O)OCC(=O)Nc1cccc(S(C)(=O)=O)c1)c1ccccc1 ZINC000745098150 1077730022 /nfs/dbraw/zinc/73/00/22/1077730022.db2.gz ANVNKIXCSNPEDQ-LJQANCHMSA-N 1 2 404.488 2.265 20 0 HEADLO CCOC(=O)c1c(NC(=O)COC(=O)[C@H]2CCCC[N@@H+]2CC)oc(C)c1C(C)=O ZINC000745084853 1077736050 /nfs/dbraw/zinc/73/60/50/1077736050.db2.gz BZUSCQVBMLMCSI-CQSZACIVSA-N 1 2 408.451 2.323 20 0 HEADLO CCOC(=O)c1c(NC(=O)COC(=O)[C@H]2CCCC[N@H+]2CC)oc(C)c1C(C)=O ZINC000745084853 1077736052 /nfs/dbraw/zinc/73/60/52/1077736052.db2.gz BZUSCQVBMLMCSI-CQSZACIVSA-N 1 2 408.451 2.323 20 0 HEADLO Cc1cc(N2CCN(C(=O)COC(=O)[C@@H](C)c3ccco3)CC2)nc(C(C)C)[nH+]1 ZINC000745129437 1077754696 /nfs/dbraw/zinc/75/46/96/1077754696.db2.gz RWRNSYXXDQMFEI-INIZCTEOSA-N 1 2 400.479 2.497 20 0 HEADLO CCOC(=O)CNC(=O)C1CC[NH+](Cn2ncc3c2cccc3Br)CC1 ZINC000771864569 1079554498 /nfs/dbraw/zinc/55/44/98/1079554498.db2.gz QSHMHEXFOWNCIP-UHFFFAOYSA-N 1 2 423.311 2.148 20 0 HEADLO NC(=O)c1cc(OC2CCN(C(=O)NCc3ccc(-n4cc[nH+]c4)cc3)CC2)ccn1 ZINC000771944456 1079594268 /nfs/dbraw/zinc/59/42/68/1079594268.db2.gz XGVXWLCIPYVSRX-UHFFFAOYSA-N 1 2 420.473 2.119 20 0 HEADLO Cc1c(C(=O)OCCn2cc[nH+]c2)nnn1C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000771953042 1079600155 /nfs/dbraw/zinc/60/01/55/1079600155.db2.gz YYEYUXULMQSRHO-UHFFFAOYSA-N 1 2 404.471 2.212 20 0 HEADLO Cc1ccc(S(=O)(=O)NCCNC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)s1 ZINC000771968580 1079613368 /nfs/dbraw/zinc/61/33/68/1079613368.db2.gz HHEQBPPHJIIBQL-UHFFFAOYSA-N 1 2 419.532 2.020 20 0 HEADLO COc1ccc(OC)c([C@H]2CCCN2C(=O)COC(=O)C[N@H+](C)[C@H]2CCSC2)c1 ZINC000767110874 1079662830 /nfs/dbraw/zinc/66/28/30/1079662830.db2.gz IXOFCSSLHUXING-MAUKXSAKSA-N 1 2 422.547 2.348 20 0 HEADLO COc1ccc(OC)c([C@H]2CCCN2C(=O)COC(=O)C[N@@H+](C)[C@H]2CCSC2)c1 ZINC000767110874 1079662859 /nfs/dbraw/zinc/66/28/59/1079662859.db2.gz IXOFCSSLHUXING-MAUKXSAKSA-N 1 2 422.547 2.348 20 0 HEADLO CCN(CC)C(=O)c1ccc(NC(=O)COC(=O)C[N@H+](C)[C@@H]2CCSC2)cc1 ZINC000772047045 1079668261 /nfs/dbraw/zinc/66/82/61/1079668261.db2.gz HPBWJCWCSUUTSX-QGZVFWFLSA-N 1 2 407.536 2.088 20 0 HEADLO CCN(CC)C(=O)c1ccc(NC(=O)COC(=O)C[N@@H+](C)[C@@H]2CCSC2)cc1 ZINC000772047045 1079668264 /nfs/dbraw/zinc/66/82/64/1079668264.db2.gz HPBWJCWCSUUTSX-QGZVFWFLSA-N 1 2 407.536 2.088 20 0 HEADLO C[C@@H](NC(=O)[C@H](C)OC(=O)C[N@H+](C)[C@@H]1CCSC1)c1ccc2c(c1)OCCO2 ZINC000767118616 1079686614 /nfs/dbraw/zinc/68/66/14/1079686614.db2.gz XEOAMXGKAIQNAC-IJEWVQPXSA-N 1 2 408.520 2.004 20 0 HEADLO C[C@@H](NC(=O)[C@H](C)OC(=O)C[N@@H+](C)[C@@H]1CCSC1)c1ccc2c(c1)OCCO2 ZINC000767118616 1079686619 /nfs/dbraw/zinc/68/66/19/1079686619.db2.gz XEOAMXGKAIQNAC-IJEWVQPXSA-N 1 2 408.520 2.004 20 0 HEADLO CC(C)(C)c1nc(COC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)cs1 ZINC000767169182 1079705417 /nfs/dbraw/zinc/70/54/17/1079705417.db2.gz WXHALRUKGQAASD-MRXNPFEDSA-N 1 2 409.552 2.197 20 0 HEADLO CC(C)(C)c1nc(COC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)cs1 ZINC000767169181 1079705521 /nfs/dbraw/zinc/70/55/21/1079705521.db2.gz WXHALRUKGQAASD-INIZCTEOSA-N 1 2 409.552 2.197 20 0 HEADLO Cc1c2ccccc2sc1C(=O)N1CC[NH+](CCCOC(=O)NC(N)=O)CC1 ZINC000772188745 1079738706 /nfs/dbraw/zinc/73/87/06/1079738706.db2.gz VLHQNSRFGYNYKO-UHFFFAOYSA-N 1 2 404.492 2.163 20 0 HEADLO NC(=O)c1ccccc1NC(=O)C[N@@H+]1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000772386374 1079857761 /nfs/dbraw/zinc/85/77/61/1079857761.db2.gz YXRAINNSKGABRF-ZDUSSCGKSA-N 1 2 408.380 2.291 20 0 HEADLO NC(=O)c1ccccc1NC(=O)C[N@H+]1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000772386374 1079857767 /nfs/dbraw/zinc/85/77/67/1079857767.db2.gz YXRAINNSKGABRF-ZDUSSCGKSA-N 1 2 408.380 2.291 20 0 HEADLO COC1(C(=O)OCC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)CCCCC1 ZINC000772449008 1079882403 /nfs/dbraw/zinc/88/24/03/1079882403.db2.gz ZSUMQYHMCGXDFZ-UHFFFAOYSA-N 1 2 416.518 2.158 20 0 HEADLO COc1c(C)c[nH+]c(CNC(=O)Nc2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2C)c1C ZINC000772519452 1079911072 /nfs/dbraw/zinc/91/10/72/1079911072.db2.gz BYGFRWWUMJRIME-OAHLLOKOSA-N 1 2 421.523 2.202 20 0 HEADLO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1NC(=O)N[C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000772538008 1079920040 /nfs/dbraw/zinc/92/00/40/1079920040.db2.gz XFZOMADFJQJOGB-CVEARBPZSA-N 1 2 422.555 2.292 20 0 HEADLO CC(C)CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000767530737 1079923306 /nfs/dbraw/zinc/92/33/06/1079923306.db2.gz CDCPEFXKXGBRSH-QHAWAJNXSA-N 1 2 400.519 2.392 20 0 HEADLO CC(C)CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000767530737 1079923318 /nfs/dbraw/zinc/92/33/18/1079923318.db2.gz CDCPEFXKXGBRSH-QHAWAJNXSA-N 1 2 400.519 2.392 20 0 HEADLO COC(=O)c1ccc([C@H](C)OC(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)o1 ZINC000767535199 1079934853 /nfs/dbraw/zinc/93/48/53/1079934853.db2.gz DBDHLGDPSAJEAF-HNNXBMFYSA-N 1 2 415.446 2.194 20 0 HEADLO O=C(OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccc(I)c(F)c1 ZINC000767534528 1079935227 /nfs/dbraw/zinc/93/52/27/1079935227.db2.gz NXSAYFZZIKGULV-TXEJJXNPSA-N 1 2 405.207 2.450 20 0 HEADLO O=C(OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccc(I)c(F)c1 ZINC000767534528 1079935238 /nfs/dbraw/zinc/93/52/38/1079935238.db2.gz NXSAYFZZIKGULV-TXEJJXNPSA-N 1 2 405.207 2.450 20 0 HEADLO COC(=O)c1ccc(COC(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000767539294 1079942100 /nfs/dbraw/zinc/94/21/00/1079942100.db2.gz QHNVDQKVFWUEIK-UHFFFAOYSA-N 1 2 411.458 2.040 20 0 HEADLO Cc1nn(-c2ccccc2)c(C)c1CNC(=O)C(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000785496832 1080019627 /nfs/dbraw/zinc/01/96/27/1080019627.db2.gz GRFQSDHPFQNHPN-SFHVURJKSA-N 1 2 420.517 2.245 20 0 HEADLO COc1ccc(OC)c([C@@H](C)NC(=O)C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000785497682 1080020990 /nfs/dbraw/zinc/02/09/90/1080020990.db2.gz ITEZSWRGSGIFOC-OAHLLOKOSA-N 1 2 408.458 2.383 20 0 HEADLO Cn1cc[nH+]c1[C@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)C(F)(F)F)cc2)C1 ZINC000767655962 1080023079 /nfs/dbraw/zinc/02/30/79/1080023079.db2.gz XITNBZYXBUAEOK-LBPRGKRZSA-N 1 2 416.425 2.489 20 0 HEADLO Cc1ccc2c(C[NH+]3CCN(c4ccccc4S(N)(=O)=O)CC3)cc(=O)oc2c1 ZINC000785507087 1080026548 /nfs/dbraw/zinc/02/65/48/1080026548.db2.gz YUNUXRQGEUZAAF-UHFFFAOYSA-N 1 2 413.499 2.071 20 0 HEADLO CN(CCn1cc[nH+]c1)Cc1cccc(Br)c1OCCS(C)(=O)=O ZINC000785528511 1080039835 /nfs/dbraw/zinc/03/98/35/1080039835.db2.gz HAILLYKJUVQPBM-UHFFFAOYSA-N 1 2 416.341 2.201 20 0 HEADLO C[C@H](C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)c1ccccc1C(F)(F)F ZINC000742073028 1080040942 /nfs/dbraw/zinc/04/09/42/1080040942.db2.gz QJBFZYJAYMBSSN-ZDUSSCGKSA-N 1 2 406.470 2.434 20 0 HEADLO CC(C)COCCCNC(=O)C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000785545257 1080050928 /nfs/dbraw/zinc/05/09/28/1080050928.db2.gz CBHQHHYGYVUJDH-UHFFFAOYSA-N 1 2 404.555 2.017 20 0 HEADLO COC(=O)c1ccc(CNC(=O)N[C@H]2CCn3cc[nH+]c3C2)c(Br)c1 ZINC000785585433 1080061842 /nfs/dbraw/zinc/06/18/42/1080061842.db2.gz KUUXBRUBCFHBPZ-ZDUSSCGKSA-N 1 2 407.268 2.246 20 0 HEADLO C[C@@H]1CCC[C@@H](NC(=O)C[NH+]2CCN(c3ccc(NS(C)(=O)=O)cc3)CC2)[C@H]1C ZINC000767744306 1080062191 /nfs/dbraw/zinc/06/21/91/1080062191.db2.gz AHAAIEGUFDRLAG-FUHIMQAGSA-N 1 2 422.595 2.121 20 0 HEADLO COC(=O)c1ccc(C[NH+]2CCN(c3ccc(NS(C)(=O)=O)cc3)CC2)c(F)c1 ZINC000767748354 1080065270 /nfs/dbraw/zinc/06/52/70/1080065270.db2.gz ZJVWICBHZNCSSR-UHFFFAOYSA-N 1 2 421.494 2.306 20 0 HEADLO CCOC(=O)N1CCN(C(=O)C[N@H+](CCO)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000767786421 1080092297 /nfs/dbraw/zinc/09/22/97/1080092297.db2.gz GXLXGOIZMUVDOV-UHFFFAOYSA-N 1 2 418.321 2.088 20 0 HEADLO CCOC(=O)N1CCN(C(=O)C[N@@H+](CCO)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000767786421 1080092305 /nfs/dbraw/zinc/09/23/05/1080092305.db2.gz GXLXGOIZMUVDOV-UHFFFAOYSA-N 1 2 418.321 2.088 20 0 HEADLO COc1c(C)c[nH+]c(CNC(=O)C(=O)NCCCCOc2ccc(F)cc2)c1C ZINC000785611218 1080112984 /nfs/dbraw/zinc/11/29/84/1080112984.db2.gz ZVIQLLRABMAYMM-UHFFFAOYSA-N 1 2 403.454 2.438 20 0 HEADLO O=C(CCNC(=O)OCC(F)(F)F)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000785610944 1080114096 /nfs/dbraw/zinc/11/40/96/1080114096.db2.gz XVOOLDRLFCVJTM-UHFFFAOYSA-N 1 2 407.820 2.493 20 0 HEADLO O=C(CCNC(=O)OCC(F)(F)F)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000785610944 1080114105 /nfs/dbraw/zinc/11/41/05/1080114105.db2.gz XVOOLDRLFCVJTM-UHFFFAOYSA-N 1 2 407.820 2.493 20 0 HEADLO O=C(OCc1ccc(Cl)cc1Cl)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000785660366 1080180851 /nfs/dbraw/zinc/18/08/51/1080180851.db2.gz QBBAZIZKKSEOGD-CQSZACIVSA-N 1 2 401.290 2.217 20 0 HEADLO C[C@@H](OC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc(C(F)(F)F)cc1 ZINC000785664068 1080184865 /nfs/dbraw/zinc/18/48/65/1080184865.db2.gz QTMUCNKARIGNAA-ZBFHGGJFSA-N 1 2 414.424 2.490 20 0 HEADLO CC(C)(C)OC(=O)N1CCC[C@@H](OCC(=O)NCCc2cn3c([nH+]2)CCCC3)C1 ZINC000767864281 1080187430 /nfs/dbraw/zinc/18/74/30/1080187430.db2.gz NNRGLWGHISPQLO-QGZVFWFLSA-N 1 2 406.527 2.294 20 0 HEADLO Cn1c2ccccc2sc1=NC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000767863955 1080188503 /nfs/dbraw/zinc/18/85/03/1080188503.db2.gz COWFTLKBLOIURP-UHFFFAOYSA-N 1 2 409.515 2.191 20 0 HEADLO CCn1ncnc1C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000785768386 1080238463 /nfs/dbraw/zinc/23/84/63/1080238463.db2.gz PRLKVCNRUMFWCC-DLBZAZTESA-N 1 2 420.558 2.026 20 0 HEADLO CCn1ncnc1C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000785768386 1080238471 /nfs/dbraw/zinc/23/84/71/1080238471.db2.gz PRLKVCNRUMFWCC-DLBZAZTESA-N 1 2 420.558 2.026 20 0 HEADLO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000785809583 1080252623 /nfs/dbraw/zinc/25/26/23/1080252623.db2.gz PDLHQYVUSYVAOD-ZDUSSCGKSA-N 1 2 402.463 2.008 20 0 HEADLO C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000785809583 1080252632 /nfs/dbraw/zinc/25/26/32/1080252632.db2.gz PDLHQYVUSYVAOD-ZDUSSCGKSA-N 1 2 402.463 2.008 20 0 HEADLO CCc1ccccc1CC(=O)OCC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000785830454 1080262654 /nfs/dbraw/zinc/26/26/54/1080262654.db2.gz AUVFHSUWYGGQRH-UHFFFAOYSA-N 1 2 410.514 2.483 20 0 HEADLO CO[C@@H](CNC(=O)OC(C)(C)C)CC(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000768068200 1080304416 /nfs/dbraw/zinc/30/44/16/1080304416.db2.gz IVLAHSDBTKOSER-OAHLLOKOSA-N 1 2 408.499 2.095 20 0 HEADLO Cc1ccc(NC(=O)C(=O)N[C@H](CO)c2ccc(Br)cc2)c(N(C)C)[nH+]1 ZINC000768128528 1080362599 /nfs/dbraw/zinc/36/25/99/1080362599.db2.gz ZVWRRJPJGDJFPT-OAHLLOKOSA-N 1 2 421.295 2.007 20 0 HEADLO Cc1cc(N2CCN(C(=O)COC(=O)c3cc4occc4[nH]3)CC2)nc(C(C)C)[nH+]1 ZINC000786030779 1080379816 /nfs/dbraw/zinc/37/98/16/1080379816.db2.gz BZCZKHXBRDGCAY-UHFFFAOYSA-N 1 2 411.462 2.488 20 0 HEADLO COc1ccc(OC)c2c1C[N@H+](Cc1ccccc1OCC(=O)N(C)C)C[C@H]2O ZINC000768208198 1080397878 /nfs/dbraw/zinc/39/78/78/1080397878.db2.gz UBYYXCHYTJGOIE-QGZVFWFLSA-N 1 2 400.475 2.220 20 0 HEADLO COc1ccc(OC)c2c1C[N@@H+](Cc1ccccc1OCC(=O)N(C)C)C[C@H]2O ZINC000768208198 1080397884 /nfs/dbraw/zinc/39/78/84/1080397884.db2.gz UBYYXCHYTJGOIE-QGZVFWFLSA-N 1 2 400.475 2.220 20 0 HEADLO O=C(Nc1cnc(Cl)c(Br)c1)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000768182682 1080401055 /nfs/dbraw/zinc/40/10/55/1080401055.db2.gz ACVWYBMHILIQPH-UHFFFAOYSA-N 1 2 412.675 2.496 20 0 HEADLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)C(=O)NCc1ccccc1OC(F)F ZINC000786112802 1080404933 /nfs/dbraw/zinc/40/49/33/1080404933.db2.gz PDFQGOUWWJTOOC-UHFFFAOYSA-N 1 2 400.385 2.406 20 0 HEADLO COc1c(C)c[nH+]c(CN(C)C(=O)C(=O)Nc2ccc(F)cc2C(=O)N(C)C)c1C ZINC000768227855 1080430893 /nfs/dbraw/zinc/43/08/93/1080430893.db2.gz HPNAHVHXIBEXSU-UHFFFAOYSA-N 1 2 416.453 2.145 20 0 HEADLO CC(C)n1ncc2cc(CN3CC[NH+]([C@H](C)C(=O)NC4CC4)CC3)c(Cl)nc21 ZINC000768232137 1080434470 /nfs/dbraw/zinc/43/44/70/1080434470.db2.gz YPLSABYHWBSRHN-CQSZACIVSA-N 1 2 404.946 2.450 20 0 HEADLO C[C@H](Nc1ccc(N(C)CCO)c[nH+]1)[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000768250340 1080439790 /nfs/dbraw/zinc/43/97/90/1080439790.db2.gz XWVFJJVQHLJGKV-PXNSSMCTSA-N 1 2 414.506 2.348 20 0 HEADLO C[C@@H](Nc1ccc(N(C)CCO)c[nH+]1)[C@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000768250342 1080440547 /nfs/dbraw/zinc/44/05/47/1080440547.db2.gz XWVFJJVQHLJGKV-YLJYHZDGSA-N 1 2 414.506 2.348 20 0 HEADLO CC(C)(C)OC(=O)Nc1ccc(C[NH+]2CCN(c3ncccc3C(N)=O)CC2)cn1 ZINC000768290968 1080461485 /nfs/dbraw/zinc/46/14/85/1080461485.db2.gz LOAVQTZCNVGXPW-UHFFFAOYSA-N 1 2 412.494 2.245 20 0 HEADLO COCC[N@H+](CC(=O)Nc1ccccc1C(=O)NCc1ccccc1)[C@@H]1CCOC1 ZINC000786191353 1080466923 /nfs/dbraw/zinc/46/69/23/1080466923.db2.gz HIAWSFXYCFDNRQ-LJQANCHMSA-N 1 2 411.502 2.292 20 0 HEADLO COCC[N@@H+](CC(=O)Nc1ccccc1C(=O)NCc1ccccc1)[C@@H]1CCOC1 ZINC000786191353 1080466939 /nfs/dbraw/zinc/46/69/39/1080466939.db2.gz HIAWSFXYCFDNRQ-LJQANCHMSA-N 1 2 411.502 2.292 20 0 HEADLO O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)C(=O)Nc1cccc(C(F)(F)F)n1 ZINC000786269123 1080519056 /nfs/dbraw/zinc/51/90/56/1080519056.db2.gz LAZQOOAIBVFEAW-OAHLLOKOSA-N 1 2 422.407 2.056 20 0 HEADLO O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)C(=O)Nc1cccc(C(F)(F)F)n1 ZINC000786269123 1080519063 /nfs/dbraw/zinc/51/90/63/1080519063.db2.gz LAZQOOAIBVFEAW-OAHLLOKOSA-N 1 2 422.407 2.056 20 0 HEADLO COC(=O)CCc1cccc(NC(=O)C(=O)N2CC[NH+](Cc3ccccc3C)CC2)c1 ZINC000786275488 1080522966 /nfs/dbraw/zinc/52/29/66/1080522966.db2.gz NJDSWKJZFKRURF-UHFFFAOYSA-N 1 2 423.513 2.384 20 0 HEADLO CCc1nnc(SCC(=O)N2CC[NH+](Cc3ccc(C(C)C)cc3)CC2)n1N ZINC000768404970 1080527137 /nfs/dbraw/zinc/52/71/37/1080527137.db2.gz SFQOHRWGFUFRMW-UHFFFAOYSA-N 1 2 402.568 2.114 20 0 HEADLO Cc1[nH]nc(C(C)C)c1C(=O)OCC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000786344300 1080553167 /nfs/dbraw/zinc/55/31/67/1080553167.db2.gz MKXFMQJBPBLETA-UHFFFAOYSA-N 1 2 414.506 2.147 20 0 HEADLO Cc1n[nH]c(C(C)C)c1C(=O)OCC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000786344300 1080553175 /nfs/dbraw/zinc/55/31/75/1080553175.db2.gz MKXFMQJBPBLETA-UHFFFAOYSA-N 1 2 414.506 2.147 20 0 HEADLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)C(=O)NCc2ccc(OCC(F)(F)F)cc2)C1 ZINC000786309873 1080556127 /nfs/dbraw/zinc/55/61/27/1080556127.db2.gz NQOBLBYKWZHBNF-HNNXBMFYSA-N 1 2 424.423 2.384 20 0 HEADLO COC(=O)CCc1cccc(NC(=O)C(=O)N(C)Cc2[nH+]cc(C)c(OC)c2C)c1 ZINC000786413077 1080591385 /nfs/dbraw/zinc/59/13/85/1080591385.db2.gz PPNSORRUTUMZFJ-UHFFFAOYSA-N 1 2 413.474 2.410 20 0 HEADLO CC1CCC2(CC1)NC(=O)N(NC(=O)C[N@@H+]1CCC[C@H](Nc3ccccc3)C1)C2=O ZINC000768556993 1080627225 /nfs/dbraw/zinc/62/72/25/1080627225.db2.gz RTWAGPYZGALOSK-OJCRERRGSA-N 1 2 413.522 2.095 20 0 HEADLO CC1CCC2(CC1)NC(=O)N(NC(=O)C[N@H+]1CCC[C@H](Nc3ccccc3)C1)C2=O ZINC000768556993 1080627232 /nfs/dbraw/zinc/62/72/32/1080627232.db2.gz RTWAGPYZGALOSK-OJCRERRGSA-N 1 2 413.522 2.095 20 0 HEADLO COc1c(C)c[nH+]c(CNC(=O)CN2C(=O)N[C@]3(CCCC(C)(C)C3)C2=O)c1C ZINC000768562829 1080631468 /nfs/dbraw/zinc/63/14/68/1080631468.db2.gz UZHXPEPTYZYBGY-NRFANRHFSA-N 1 2 402.495 2.214 20 0 HEADLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)C(=O)N[C@@H]1CC[C@H]2SCCS[C@H]12 ZINC000786467786 1080645715 /nfs/dbraw/zinc/64/57/15/1080645715.db2.gz PKMILCRFBWUIMR-JFIYKMOQSA-N 1 2 420.604 2.184 20 0 HEADLO CCc1ccc(N2CCN(C(=O)C(=O)NCc3cc[nH+]c(N4CCCC4)c3)CC2)cc1 ZINC000786498809 1080658223 /nfs/dbraw/zinc/65/82/23/1080658223.db2.gz BDSIIWMLQIEKPG-UHFFFAOYSA-N 1 2 421.545 2.209 20 0 HEADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)C(=O)N1CCC[C@@H]1C[C@H](O)c1ccco1 ZINC000786507195 1080662997 /nfs/dbraw/zinc/66/29/97/1080662997.db2.gz UXPHEYAQPNKEAL-MSOLQXFVSA-N 1 2 412.490 2.006 20 0 HEADLO Cc1ccc(N2CCCN(C(=O)C(=O)NCc3cc[nH+]c(N4CCCC4)c3)CC2)cc1 ZINC000786505780 1080663024 /nfs/dbraw/zinc/66/30/24/1080663024.db2.gz QJRKUMAMPFYYFO-UHFFFAOYSA-N 1 2 421.545 2.345 20 0 HEADLO CC(C)Nc1nc(N2CCC[C@H](CN(C)C(=O)OC(C)(C)C)C2)nc(NCCO)[nH+]1 ZINC000786584941 1080673731 /nfs/dbraw/zinc/67/37/31/1080673731.db2.gz WYDQOKXZXKYCTG-OAHLLOKOSA-N 1 2 423.562 2.179 20 0 HEADLO O=C(COC(=O)c1csc(NC2CC2)n1)N1CC[NH+](Cc2cccs2)CC1 ZINC000768655612 1080702823 /nfs/dbraw/zinc/70/28/23/1080702823.db2.gz GLTOFFRHSHCCAI-UHFFFAOYSA-N 1 2 406.533 2.280 20 0 HEADLO C[N@@H+]1CC[C@H](NC(=O)C(=O)NCc2ccc(Cl)nc2)[C@H]1c1ccc(F)c(F)c1 ZINC000786628590 1080724456 /nfs/dbraw/zinc/72/44/56/1080724456.db2.gz ILCQQUMEAOGPKG-DOTOQJQBSA-N 1 2 408.836 2.191 20 0 HEADLO C[N@H+]1CC[C@H](NC(=O)C(=O)NCc2ccc(Cl)nc2)[C@H]1c1ccc(F)c(F)c1 ZINC000786628590 1080724468 /nfs/dbraw/zinc/72/44/68/1080724468.db2.gz ILCQQUMEAOGPKG-DOTOQJQBSA-N 1 2 408.836 2.191 20 0 HEADLO O=C(NCc1ccc(Cl)nc1)C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000786593836 1080731292 /nfs/dbraw/zinc/73/12/92/1080731292.db2.gz GUOFAXAGSSFJNX-UHFFFAOYSA-N 1 2 401.898 2.290 20 0 HEADLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)c1cnn(CC(=O)NC2CCCCC2)c1 ZINC000746594534 1080736997 /nfs/dbraw/zinc/73/69/97/1080736997.db2.gz PDFKBVALXIVBTL-SFHVURJKSA-N 1 2 400.527 2.373 20 0 HEADLO C[C@@H]1CN(c2ccc(NC(=O)C(=O)N(C)CCCn3cc[nH+]c3)cc2F)C[C@@H](C)O1 ZINC000768740024 1080764617 /nfs/dbraw/zinc/76/46/17/1080764617.db2.gz NEIWYNMSWCZGDV-HZPDHXFCSA-N 1 2 417.485 2.123 20 0 HEADLO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1CN1CCN(c2cc(C)cc[nH+]2)CC1 ZINC000768892869 1080836188 /nfs/dbraw/zinc/83/61/88/1080836188.db2.gz NIGKMGFBIPAEHA-MRXNPFEDSA-N 1 2 423.970 2.230 20 0 HEADLO C[C@]1(c2cccc(Cl)c2)NC(=O)N(C[N@@H+]2CCOC3(CCOCC3)CC2)C1=O ZINC000768912980 1080853773 /nfs/dbraw/zinc/85/37/73/1080853773.db2.gz NCTJDNVQJMFASZ-LJQANCHMSA-N 1 2 407.898 2.336 20 0 HEADLO C[C@]1(c2cccc(Cl)c2)NC(=O)N(C[N@H+]2CCOC3(CCOCC3)CC2)C1=O ZINC000768912980 1080853776 /nfs/dbraw/zinc/85/37/76/1080853776.db2.gz NCTJDNVQJMFASZ-LJQANCHMSA-N 1 2 407.898 2.336 20 0 HEADLO C[C@H](CNC(=O)OC(C)(C)C)NC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000768922632 1080859121 /nfs/dbraw/zinc/85/91/21/1080859121.db2.gz JSFGWCLOGLEICM-MRXNPFEDSA-N 1 2 406.527 2.231 20 0 HEADLO CCCn1nc(C)c(C[N@H+](C)CC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1C ZINC000768989871 1080877728 /nfs/dbraw/zinc/87/77/28/1080877728.db2.gz CLMLJONUGIJAMG-UHFFFAOYSA-N 1 2 407.559 2.421 20 0 HEADLO CCCn1nc(C)c(C[N@@H+](C)CC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1C ZINC000768989871 1080877735 /nfs/dbraw/zinc/87/77/35/1080877735.db2.gz CLMLJONUGIJAMG-UHFFFAOYSA-N 1 2 407.559 2.421 20 0 HEADLO O=C(C[C@@H]1C(=O)Nc2ccccc21)OCC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000746618664 1080893981 /nfs/dbraw/zinc/89/39/81/1080893981.db2.gz YFGMHQATDAFRDO-KRWDZBQOSA-N 1 2 413.499 2.062 20 0 HEADLO CC(C)(C)Oc1cccc(COC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)n1 ZINC000786998994 1080911518 /nfs/dbraw/zinc/91/15/18/1080911518.db2.gz MADRHIMRCISFGV-SFHVURJKSA-N 1 2 419.522 2.015 20 0 HEADLO O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)OCCC(Cl)(Cl)Cl ZINC000787003708 1080916533 /nfs/dbraw/zinc/91/65/33/1080916533.db2.gz ZEQGBKUCXNDDDR-GFCCVEGCSA-N 1 2 401.718 2.003 20 0 HEADLO Cc1ccccc1OCCCOC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000787002812 1080918582 /nfs/dbraw/zinc/91/85/82/1080918582.db2.gz XDLSNCXVQGNHOF-HXUWFJFHSA-N 1 2 404.507 2.020 20 0 HEADLO C[N@H+](CC(F)F)C1CCN(C(=O)CN2C(=O)N[C@@]3(CCCC(C)(C)C3)C2=O)CC1 ZINC000769146153 1080960655 /nfs/dbraw/zinc/96/06/55/1080960655.db2.gz CGEQGLIHUQGJTB-HXUWFJFHSA-N 1 2 414.497 2.065 20 0 HEADLO C[N@@H+](CC(F)F)C1CCN(C(=O)CN2C(=O)N[C@@]3(CCCC(C)(C)C3)C2=O)CC1 ZINC000769146153 1080960670 /nfs/dbraw/zinc/96/06/70/1080960670.db2.gz CGEQGLIHUQGJTB-HXUWFJFHSA-N 1 2 414.497 2.065 20 0 HEADLO CCCOc1ncccc1CNC(=O)C[NH+]1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000769147107 1080961483 /nfs/dbraw/zinc/96/14/83/1080961483.db2.gz NDAZITZPVMCHTO-UHFFFAOYSA-N 1 2 406.527 2.476 20 0 HEADLO O=C(COC(=O)[C@@H](F)c1ccccc1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000769160305 1080979098 /nfs/dbraw/zinc/97/90/98/1080979098.db2.gz QDRLHOZOVVDUNI-NRFANRHFSA-N 1 2 400.450 2.389 20 0 HEADLO Cc1ccc(N(C(=O)C[NH2+][C@@H](CCO)c2ccco2)[C@H]2C=CS(=O)(=O)C2)cc1C ZINC000769221018 1081006334 /nfs/dbraw/zinc/00/63/34/1081006334.db2.gz LDEPEVFUZMOPPU-OALUTQOASA-N 1 2 418.515 2.253 20 0 HEADLO CC(C)(C)OC(=O)NCCCOC1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC000787116409 1081006984 /nfs/dbraw/zinc/00/69/84/1081006984.db2.gz UPUVBJBNTRNTAM-MRXNPFEDSA-N 1 2 406.527 2.368 20 0 HEADLO COc1ccc(OC)c(NC(=O)N2CC[N@H+](C)C[C@H]2CNC(=O)OC(C)(C)C)c1 ZINC000769229390 1081009764 /nfs/dbraw/zinc/00/97/64/1081009764.db2.gz CTAWFLAVHQOTJN-CQSZACIVSA-N 1 2 408.499 2.376 20 0 HEADLO COc1ccc(OC)c(NC(=O)N2CC[N@@H+](C)C[C@H]2CNC(=O)OC(C)(C)C)c1 ZINC000769229390 1081009773 /nfs/dbraw/zinc/00/97/73/1081009773.db2.gz CTAWFLAVHQOTJN-CQSZACIVSA-N 1 2 408.499 2.376 20 0 HEADLO COC(=O)c1ccc(NC(=O)N2CC[N@H+](C)C[C@H]2CNC(=O)OC(C)(C)C)cc1 ZINC000769237752 1081012163 /nfs/dbraw/zinc/01/21/63/1081012163.db2.gz QYMYOXXJMCMMHB-MRXNPFEDSA-N 1 2 406.483 2.146 20 0 HEADLO COC(=O)c1ccc(NC(=O)N2CC[N@@H+](C)C[C@H]2CNC(=O)OC(C)(C)C)cc1 ZINC000769237752 1081012172 /nfs/dbraw/zinc/01/21/72/1081012172.db2.gz QYMYOXXJMCMMHB-MRXNPFEDSA-N 1 2 406.483 2.146 20 0 HEADLO CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCN(c3ncc(Br)cn3)CC2)C1 ZINC000769288953 1081014345 /nfs/dbraw/zinc/01/43/45/1081014345.db2.gz YXJWCDVYXUPDKU-AWEZNQCLSA-N 1 2 412.332 2.371 20 0 HEADLO Cc1cccc(NC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)c1Br ZINC000769248205 1081016003 /nfs/dbraw/zinc/01/60/03/1081016003.db2.gz MGAYGXVSGKSBHB-UHFFFAOYSA-N 1 2 418.357 2.388 20 0 HEADLO C[C@@H]1C[N@H+](CCNC(=O)N[C@H]2CCN(c3cccc(Br)c3)C2)CCO1 ZINC000787139722 1081024179 /nfs/dbraw/zinc/02/41/79/1081024179.db2.gz UKTATYBQTWWPIK-ZBFHGGJFSA-N 1 2 411.344 2.048 20 0 HEADLO C[C@@H]1C[N@@H+](CCNC(=O)N[C@H]2CCN(c3cccc(Br)c3)C2)CCO1 ZINC000787139722 1081024187 /nfs/dbraw/zinc/02/41/87/1081024187.db2.gz UKTATYBQTWWPIK-ZBFHGGJFSA-N 1 2 411.344 2.048 20 0 HEADLO Cn1ncnc1COc1ccc(S(=O)(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000746642753 1081025341 /nfs/dbraw/zinc/02/53/41/1081025341.db2.gz FGQMPNOOYJKZSQ-UHFFFAOYSA-N 1 2 424.486 2.058 20 0 HEADLO CN(CCCn1cc[nH+]c1)C(=O)c1cn(CCOc2ccc(C=O)cc2Cl)nn1 ZINC000769307726 1081038158 /nfs/dbraw/zinc/03/81/58/1081038158.db2.gz QYBSHDOHWXVFEP-UHFFFAOYSA-N 1 2 416.869 2.182 20 0 HEADLO CN(CCCn1cc[nH+]c1)C(=O)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1 ZINC000769309056 1081038211 /nfs/dbraw/zinc/03/82/11/1081038211.db2.gz ZIXBCDHTCUSFGF-UHFFFAOYSA-N 1 2 408.499 2.359 20 0 HEADLO CN(C)c1ccc([NH+]2CCC(NC(=O)N(C)Cc3ncnn3CC(F)F)CC2)cc1 ZINC000787267184 1081101350 /nfs/dbraw/zinc/10/13/50/1081101350.db2.gz QWXRKVHXTUYLBV-UHFFFAOYSA-N 1 2 421.496 2.420 20 0 HEADLO COC(=O)c1cccc(NC(=O)C[N@H+](C2CC2)[C@H]2CCN(C(=O)OC(C)(C)C)C2)n1 ZINC000787270584 1081102427 /nfs/dbraw/zinc/10/24/27/1081102427.db2.gz WEWDREJIBQHDKY-HNNXBMFYSA-N 1 2 418.494 2.281 20 0 HEADLO COC(=O)c1cccc(NC(=O)C[N@@H+](C2CC2)[C@H]2CCN(C(=O)OC(C)(C)C)C2)n1 ZINC000787270584 1081102430 /nfs/dbraw/zinc/10/24/30/1081102430.db2.gz WEWDREJIBQHDKY-HNNXBMFYSA-N 1 2 418.494 2.281 20 0 HEADLO CNC(=O)CC1CC[NH+](CC(=O)Nc2ccccc2C(=O)NC2CCCC2)CC1 ZINC000746670281 1081105922 /nfs/dbraw/zinc/10/59/22/1081105922.db2.gz OHOULJHIEYTRPU-UHFFFAOYSA-N 1 2 400.523 2.146 20 0 HEADLO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[N@H+]1CC[C@H](Cc2cnn(C)c2)C1 ZINC000769550875 1081122925 /nfs/dbraw/zinc/12/29/25/1081122925.db2.gz TUZKYDSSPGORMM-ZBFHGGJFSA-N 1 2 411.959 2.003 20 0 HEADLO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[N@@H+]1CC[C@H](Cc2cnn(C)c2)C1 ZINC000769550875 1081122929 /nfs/dbraw/zinc/12/29/29/1081122929.db2.gz TUZKYDSSPGORMM-ZBFHGGJFSA-N 1 2 411.959 2.003 20 0 HEADLO C[C@H](CNC(=O)OC(C)(C)C)NC(=O)[C@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000769638143 1081156460 /nfs/dbraw/zinc/15/64/60/1081156460.db2.gz ACZSEQCVPKBJIW-CVEARBPZSA-N 1 2 408.518 2.366 20 0 HEADLO C[C@H](CNC(=O)OC(C)(C)C)NC(=O)[C@@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000769638146 1081156539 /nfs/dbraw/zinc/15/65/39/1081156539.db2.gz ACZSEQCVPKBJIW-HZPDHXFCSA-N 1 2 408.518 2.366 20 0 HEADLO COC1(c2nc(CC(F)(F)F)no2)CC[NH+]([C@H](C(N)=O)c2ccc(F)cc2)CC1 ZINC000576007425 569056124 /nfs/dbraw/zinc/05/61/24/569056124.db2.gz NYUVHMSOSPBQEQ-AWEZNQCLSA-N 1 2 416.375 2.478 20 0 HEADLO COCCN1CC[N@H+](C)C2(CCN(c3ncc4c(n3)-c3ccccc3CC4)CC2)C1=O ZINC001164640154 719277932 /nfs/dbraw/zinc/27/79/32/719277932.db2.gz OCINWBPXPMOVOC-UHFFFAOYSA-N 1 2 421.545 2.002 20 0 HEADLO COCCN1CC[N@@H+](C)C2(CCN(c3ncc4c(n3)-c3ccccc3CC4)CC2)C1=O ZINC001164640154 719277934 /nfs/dbraw/zinc/27/79/34/719277934.db2.gz OCINWBPXPMOVOC-UHFFFAOYSA-N 1 2 421.545 2.002 20 0 HEADLO COCCN1CC[N@H+](C)C2(CCN(c3nc(C4CCC4)nc(Cl)c3C)CC2)C1=O ZINC001164644073 719284064 /nfs/dbraw/zinc/28/40/64/719284064.db2.gz BJEYSHWKQJXMON-UHFFFAOYSA-N 1 2 421.973 2.465 20 0 HEADLO COCCN1CC[N@@H+](C)C2(CCN(c3nc(C4CCC4)nc(Cl)c3C)CC2)C1=O ZINC001164644073 719284066 /nfs/dbraw/zinc/28/40/66/719284066.db2.gz BJEYSHWKQJXMON-UHFFFAOYSA-N 1 2 421.973 2.465 20 0 HEADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nccc(C(N)=O)n1)CC2 ZINC001164663523 719346816 /nfs/dbraw/zinc/34/68/16/719346816.db2.gz JMDKELLDOJOTDQ-UHFFFAOYSA-N 1 2 417.517 2.270 20 0 HEADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nccc(C(N)=O)n1)CC2 ZINC001164663523 719346819 /nfs/dbraw/zinc/34/68/19/719346819.db2.gz JMDKELLDOJOTDQ-UHFFFAOYSA-N 1 2 417.517 2.270 20 0 HEADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(Cl)nc2c1SCC2 ZINC001164698615 719850025 /nfs/dbraw/zinc/85/00/25/719850025.db2.gz GGKBXKWEDCUGAZ-KPZWWZAWSA-N 1 2 412.943 2.011 20 0 HEADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(Cl)ncc1SC ZINC001164701565 719856500 /nfs/dbraw/zinc/85/65/00/719856500.db2.gz LFBPBNNGAPLANZ-PXAZEXFGSA-N 1 2 400.932 2.085 20 0 HEADLO CCOC(=O)c1c(C)cc(N2CC[C@@H]([NH+]3CCOCC3)C[C@@]2(C)C(=O)OC)nc1C ZINC001164704680 719859009 /nfs/dbraw/zinc/85/90/09/719859009.db2.gz SHNDOLJVUJIVBI-VGSWGCGISA-N 1 2 419.522 2.108 20 0 HEADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc2ccc(OC)cc2nc1C ZINC001164700493 719871823 /nfs/dbraw/zinc/87/18/23/719871823.db2.gz DRTZPXGXDLKRNM-KSFYIVLOSA-N 1 2 414.506 2.180 20 0 HEADLO Cc1cc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)nc2ccccc12 ZINC001164708984 719907712 /nfs/dbraw/zinc/90/77/12/719907712.db2.gz OMJDKGKVGPRHLK-UHFFFAOYSA-N 1 2 404.518 2.227 20 0 HEADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3ccc(F)c(Cl)n3)C2)C1 ZINC001164719314 720220633 /nfs/dbraw/zinc/22/06/33/720220633.db2.gz RDXPUZJTDBRTQK-KRWDZBQOSA-N 1 2 420.863 2.084 20 0 HEADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3ccc(F)c(Cl)n3)C2)C1 ZINC001164719314 720220643 /nfs/dbraw/zinc/22/06/43/720220643.db2.gz RDXPUZJTDBRTQK-KRWDZBQOSA-N 1 2 420.863 2.084 20 0 HEADLO Cc1nc2ccccc2c(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164824111 720438993 /nfs/dbraw/zinc/43/89/93/720438993.db2.gz LZZNIGYWQNEWDY-SFHVURJKSA-N 1 2 422.533 2.124 20 0 HEADLO CC(C)Oc1cccc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164833060 720457534 /nfs/dbraw/zinc/45/75/34/720457534.db2.gz XQLXITZPGXXFQD-SFHVURJKSA-N 1 2 415.538 2.055 20 0 HEADLO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4cc(Cl)nc5nc[nH]c54)C3)O2)CC1 ZINC001164887137 721406678 /nfs/dbraw/zinc/40/66/78/721406678.db2.gz LDMHXCGPYIAFCF-FOIQADDNSA-N 1 2 404.946 2.377 20 0 HEADLO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4cc(Cl)nc5[nH]cnc54)C3)O2)CC1 ZINC001164887137 721406681 /nfs/dbraw/zinc/40/66/81/721406681.db2.gz LDMHXCGPYIAFCF-FOIQADDNSA-N 1 2 404.946 2.377 20 0 HEADLO CCCNC(=O)c1cc(Cl)nc(N2CCCn3c(C[N@H+](C)C(C)C)nnc3C2)n1 ZINC001165011853 721721727 /nfs/dbraw/zinc/72/17/27/721721727.db2.gz WQCJAQPWUWEWJG-UHFFFAOYSA-N 1 2 420.949 2.112 20 0 HEADLO CCCNC(=O)c1cc(Cl)nc(N2CCCn3c(C[N@@H+](C)C(C)C)nnc3C2)n1 ZINC001165011853 721721729 /nfs/dbraw/zinc/72/17/29/721721729.db2.gz WQCJAQPWUWEWJG-UHFFFAOYSA-N 1 2 420.949 2.112 20 0 HEADLO CSc1ncc(Cl)c(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164912983 721772878 /nfs/dbraw/zinc/77/28/78/721772878.db2.gz SNYWESLXUKQHDA-LJQANCHMSA-N 1 2 421.954 2.355 20 0 HEADLO CSc1ncc(Cl)c(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164912983 721772879 /nfs/dbraw/zinc/77/28/79/721772879.db2.gz SNYWESLXUKQHDA-LJQANCHMSA-N 1 2 421.954 2.355 20 0 HEADLO CSc1cc(C)nc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164915649 721782425 /nfs/dbraw/zinc/78/24/25/721782425.db2.gz MLABFKDAAWMNRP-HXUWFJFHSA-N 1 2 401.536 2.010 20 0 HEADLO CSc1cc(C)nc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164915649 721782426 /nfs/dbraw/zinc/78/24/26/721782426.db2.gz MLABFKDAAWMNRP-HXUWFJFHSA-N 1 2 401.536 2.010 20 0 HEADLO COc1ccc(Cl)nc1N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164914863 721786154 /nfs/dbraw/zinc/78/61/54/721786154.db2.gz GMIJYTDDSUUSEA-HXUWFJFHSA-N 1 2 404.898 2.246 20 0 HEADLO COc1ccc(Cl)nc1N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164914863 721786159 /nfs/dbraw/zinc/78/61/59/721786159.db2.gz GMIJYTDDSUUSEA-HXUWFJFHSA-N 1 2 404.898 2.246 20 0 HEADLO CC(C)COc1cncc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164915033 721795556 /nfs/dbraw/zinc/79/55/56/721795556.db2.gz UIZSPWFRAPAFGR-QFIPXVFZSA-N 1 2 413.522 2.014 20 0 HEADLO CC(C)COc1cncc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164915033 721795557 /nfs/dbraw/zinc/79/55/57/721795557.db2.gz UIZSPWFRAPAFGR-QFIPXVFZSA-N 1 2 413.522 2.014 20 0 HEADLO c1coc(-c2ccc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)nn2)c1 ZINC001164913904 721797187 /nfs/dbraw/zinc/79/71/87/721797187.db2.gz ISMBKDKUULVJCP-QFIPXVFZSA-N 1 2 407.474 2.239 20 0 HEADLO c1coc(-c2ccc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)nn2)c1 ZINC001164913904 721797191 /nfs/dbraw/zinc/79/71/91/721797191.db2.gz ISMBKDKUULVJCP-QFIPXVFZSA-N 1 2 407.474 2.239 20 0 HEADLO Cn1ccnc1C(=O)N[C@@H]1C[N@@H+](C(C)(C)c2ccnc(Cl)c2)[C@H]2CCCO[C@@H]12 ZINC001164984972 722093894 /nfs/dbraw/zinc/09/38/94/722093894.db2.gz YHMNDQZNAINLKJ-VYDXJSESSA-N 1 2 403.914 2.365 20 0 HEADLO Cn1ccnc1C(=O)N[C@@H]1C[N@H+](C(C)(C)c2ccnc(Cl)c2)[C@H]2CCCO[C@@H]12 ZINC001164984972 722093896 /nfs/dbraw/zinc/09/38/96/722093896.db2.gz YHMNDQZNAINLKJ-VYDXJSESSA-N 1 2 403.914 2.365 20 0 HEADLO O=C(COC(=O)c1cccc2cc[nH]c21)NCc1ccccc1C[NH+]1CCOCC1 ZINC000745544519 1078543650 /nfs/dbraw/zinc/54/36/50/1078543650.db2.gz XBGSUVYGILNDDI-UHFFFAOYSA-N 1 2 407.470 2.473 20 0 HEADLO CC1(C)COCC[N@@H+]1CCNC(=O)c1cc(NC(=O)OCC(F)(F)F)ccc1O ZINC000769766283 1078545769 /nfs/dbraw/zinc/54/57/69/1078545769.db2.gz KLKJARSFDYOSHZ-UHFFFAOYSA-N 1 2 419.400 2.344 20 0 HEADLO CC1(C)COCC[N@H+]1CCNC(=O)c1cc(NC(=O)OCC(F)(F)F)ccc1O ZINC000769766283 1078545771 /nfs/dbraw/zinc/54/57/71/1078545771.db2.gz KLKJARSFDYOSHZ-UHFFFAOYSA-N 1 2 419.400 2.344 20 0 HEADLO C[N@H+](Cc1nnnn1CC1CCOCC1)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000769769053 1078547505 /nfs/dbraw/zinc/54/75/05/1078547505.db2.gz FXSYUZMCSAFQSI-JWTNVVGKSA-N 1 2 420.558 2.462 20 0 HEADLO C[N@@H+](Cc1nnnn1CC1CCOCC1)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000769769053 1078547511 /nfs/dbraw/zinc/54/75/11/1078547511.db2.gz FXSYUZMCSAFQSI-JWTNVVGKSA-N 1 2 420.558 2.462 20 0 HEADLO COc1ccc(CN2C(=O)C(=O)N(C[N@H+](C)Cc3cccc(N(C)C)c3)C2=O)cc1 ZINC000769854571 1078575761 /nfs/dbraw/zinc/57/57/61/1078575761.db2.gz SMQZYHWKNXRRKJ-UHFFFAOYSA-N 1 2 410.474 2.142 20 0 HEADLO COc1ccc(CN2C(=O)C(=O)N(C[N@@H+](C)Cc3cccc(N(C)C)c3)C2=O)cc1 ZINC000769854571 1078575769 /nfs/dbraw/zinc/57/57/69/1078575769.db2.gz SMQZYHWKNXRRKJ-UHFFFAOYSA-N 1 2 410.474 2.142 20 0 HEADLO CC(C)NC(=O)c1ccccc1NC(=O)C[N@@H+]1CCC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000769898754 1078622330 /nfs/dbraw/zinc/62/23/30/1078622330.db2.gz LYRZCXAYIFRRCE-DYVFJYSZSA-N 1 2 401.429 2.399 20 0 HEADLO CC(C)NC(=O)c1ccccc1NC(=O)C[N@H+]1CCC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000769898754 1078622334 /nfs/dbraw/zinc/62/23/34/1078622334.db2.gz LYRZCXAYIFRRCE-DYVFJYSZSA-N 1 2 401.429 2.399 20 0 HEADLO C[C@@H](CNC(=O)NCC[N@@H+]1CCO[C@H](C)C1)Oc1ccc(Br)cc1 ZINC000745791838 1078649510 /nfs/dbraw/zinc/64/95/10/1078649510.db2.gz MXXMGQZTBQPHHY-UONOGXRCSA-N 1 2 400.317 2.236 20 0 HEADLO C[C@@H](CNC(=O)NCC[N@H+]1CCO[C@H](C)C1)Oc1ccc(Br)cc1 ZINC000745791838 1078649513 /nfs/dbraw/zinc/64/95/13/1078649513.db2.gz MXXMGQZTBQPHHY-UONOGXRCSA-N 1 2 400.317 2.236 20 0 HEADLO CN(C)c1ccc([NH+]2CCC(NC(=O)NCC(=O)NCCc3ccccc3)CC2)cc1 ZINC000745785790 1078644130 /nfs/dbraw/zinc/64/41/30/1078644130.db2.gz BHMBHLKYLBHSHC-UHFFFAOYSA-N 1 2 423.561 2.380 20 0 HEADLO C[C@H]1C[N@H+](CCNC(=O)NC[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)CCO1 ZINC000745794275 1078649992 /nfs/dbraw/zinc/64/99/92/1078649992.db2.gz YGVQXMABUHSJNO-FUHWJXTLSA-N 1 2 406.527 2.272 20 0 HEADLO C[C@H]1C[N@@H+](CCNC(=O)NC[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)CCO1 ZINC000745794275 1078649997 /nfs/dbraw/zinc/64/99/97/1078649997.db2.gz YGVQXMABUHSJNO-FUHWJXTLSA-N 1 2 406.527 2.272 20 0 HEADLO CC(C)(C)OC(=O)N1CCC(CNC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)CC1 ZINC000745793822 1078650536 /nfs/dbraw/zinc/65/05/36/1078650536.db2.gz ROJGMBMUFPYRIP-GOSISDBHSA-N 1 2 410.559 2.140 20 0 HEADLO Cn1ccnc1[C@H](O)[C@H]1CCCN(C(=O)NCc2ccccc2Cn2cc[nH+]c2)C1 ZINC000769962595 1078654184 /nfs/dbraw/zinc/65/41/84/1078654184.db2.gz CZXJGVQMIVBMBZ-VQTJNVASSA-N 1 2 408.506 2.320 20 0 HEADLO CC(C)(C)S(=O)(=O)CCNC(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000745811501 1078656237 /nfs/dbraw/zinc/65/62/37/1078656237.db2.gz HQWCMBAOZADUPV-UHFFFAOYSA-N 1 2 417.616 2.313 20 0 HEADLO CC(C)(C)S(=O)(=O)CCNC(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000745811501 1078656242 /nfs/dbraw/zinc/65/62/42/1078656242.db2.gz HQWCMBAOZADUPV-UHFFFAOYSA-N 1 2 417.616 2.313 20 0 HEADLO COC(=O)/C=C1/SCC(=O)N1CCCN1CC[NH+]([C@@H](C)c2cccc(F)c2)CC1 ZINC000769929779 1078662912 /nfs/dbraw/zinc/66/29/12/1078662912.db2.gz ZIHKDNNGWHXVAO-RZKQZQCBSA-N 1 2 421.538 2.484 20 0 HEADLO COC(=O)/C=C1\SCC(=O)N1CCCN1CC[NH+]([C@H](C)c2cccc(F)c2)CC1 ZINC000769929783 1078663370 /nfs/dbraw/zinc/66/33/70/1078663370.db2.gz ZIHKDNNGWHXVAO-ZHTGWBIJSA-N 1 2 421.538 2.484 20 0 HEADLO Cn1ccnc1[C@H](O)[C@@H]1CCCN(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000769980887 1078673328 /nfs/dbraw/zinc/67/33/28/1078673328.db2.gz VSVBXDQZUYALCA-VQIMIIECSA-N 1 2 412.469 2.400 20 0 HEADLO COCCOC[C@@H](C)NC(=O)N1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000745863340 1078678275 /nfs/dbraw/zinc/67/82/75/1078678275.db2.gz FVPKJRZUVKCQPJ-OAHLLOKOSA-N 1 2 419.444 2.464 20 0 HEADLO COC(=O)c1ccsc1N1CC[C@H]([N@@H+]2CC[C@H](CNC(=O)OC(C)(C)C)C2)C1=O ZINC000745942262 1078700678 /nfs/dbraw/zinc/70/06/78/1078700678.db2.gz GBJNIYWUPVXDLT-HIFRSBDPSA-N 1 2 423.535 2.487 20 0 HEADLO COC(=O)c1ccsc1N1CC[C@H]([N@H+]2CC[C@H](CNC(=O)OC(C)(C)C)C2)C1=O ZINC000745942262 1078700685 /nfs/dbraw/zinc/70/06/85/1078700685.db2.gz GBJNIYWUPVXDLT-HIFRSBDPSA-N 1 2 423.535 2.487 20 0 HEADLO CCOC(=O)C1C(C[NH2+]C(C)(C)CC(=O)OC)=NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000770191047 1078753467 /nfs/dbraw/zinc/75/34/67/1078753467.db2.gz KWTALCQFDHSQSM-QGZVFWFLSA-N 1 2 423.897 2.442 20 0 HEADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)c2cccc(Br)n2)CC1 ZINC000770264708 1078797435 /nfs/dbraw/zinc/79/74/35/1078797435.db2.gz XUPCZODTGOJFBV-UHFFFAOYSA-N 1 2 403.280 2.484 20 0 HEADLO COC(=O)c1cc(F)c(Br)c(S(=O)(=O)N2CC[N@H+](C)[C@H](C)[C@@H]2C)c1 ZINC000770270282 1078801303 /nfs/dbraw/zinc/80/13/03/1078801303.db2.gz SQLPGFQJQNSVDK-ZJUUUORDSA-N 1 2 423.304 2.088 20 0 HEADLO COC(=O)c1cc(F)c(Br)c(S(=O)(=O)N2CC[N@@H+](C)[C@H](C)[C@@H]2C)c1 ZINC000770270282 1078801304 /nfs/dbraw/zinc/80/13/04/1078801304.db2.gz SQLPGFQJQNSVDK-ZJUUUORDSA-N 1 2 423.304 2.088 20 0 HEADLO O=C(Nc1ccc(Cl)cn1)[C@H]1CCC[N@H+](CN2C(=O)C[C@]3(CCSC3)C2=O)C1 ZINC000746502159 1078817804 /nfs/dbraw/zinc/81/78/04/1078817804.db2.gz HIPCQHWDVWZAAK-DJJJIMSYSA-N 1 2 422.938 2.225 20 0 HEADLO O=C(Nc1ccc(Cl)cn1)[C@H]1CCC[N@@H+](CN2C(=O)C[C@]3(CCSC3)C2=O)C1 ZINC000746502159 1078817808 /nfs/dbraw/zinc/81/78/08/1078817808.db2.gz HIPCQHWDVWZAAK-DJJJIMSYSA-N 1 2 422.938 2.225 20 0 HEADLO C[C@H]([C@H](C)NC(=O)C1(NC(=O)OC(C)(C)C)Cc2ccccc2C1)[NH+]1CCOCC1 ZINC000746224561 1078826249 /nfs/dbraw/zinc/82/62/49/1078826249.db2.gz PLALOOZXWUJACD-DLBZAZTESA-N 1 2 417.550 2.274 20 0 HEADLO O=C(C[NH+]1CCN(c2ccccn2)CC1)N1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000746257197 1078834059 /nfs/dbraw/zinc/83/40/59/1078834059.db2.gz ZGUBKIOQCCLRQW-LEWJYISDSA-N 1 2 412.509 2.457 20 0 HEADLO CCOC(=O)N1CC[C@H](NC(=O)N[C@@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)C1 ZINC000770404308 1078843483 /nfs/dbraw/zinc/84/34/83/1078843483.db2.gz MJQNVGFQRQBBID-CABCVRRESA-N 1 2 410.465 2.459 20 0 HEADLO CCOC(=O)N1CC[C@H](NC(=O)N[C@@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)C1 ZINC000770404308 1078843485 /nfs/dbraw/zinc/84/34/85/1078843485.db2.gz MJQNVGFQRQBBID-CABCVRRESA-N 1 2 410.465 2.459 20 0 HEADLO COc1c(C)c[nH+]c(CNC(=O)Nc2cnn(Cc3nnc4n3CCCC4)c2)c1C ZINC000770441290 1078855637 /nfs/dbraw/zinc/85/56/37/1078855637.db2.gz XNLUWFOCOOIKEJ-UHFFFAOYSA-N 1 2 410.482 2.201 20 0 HEADLO Cn1cc(C[C@@H]2CC(=O)N(C[N@H+](CCc3ccccc3)Cc3cccnc3)C2=O)cn1 ZINC000746375373 1078882843 /nfs/dbraw/zinc/88/28/43/1078882843.db2.gz DVBNHVPCFWBCHC-JOCHJYFZSA-N 1 2 417.513 2.435 20 0 HEADLO Cn1cc(C[C@@H]2CC(=O)N(C[N@@H+](CCc3ccccc3)Cc3cccnc3)C2=O)cn1 ZINC000746375373 1078882846 /nfs/dbraw/zinc/88/28/46/1078882846.db2.gz DVBNHVPCFWBCHC-JOCHJYFZSA-N 1 2 417.513 2.435 20 0 HEADLO C[C@H](NC(=O)c1ccccc1NC(=O)C[N@H+](C)CC(C)(CO)CO)c1ccccc1 ZINC000770524140 1078883884 /nfs/dbraw/zinc/88/38/84/1078883884.db2.gz NJPMWVHQSXBVGP-KRWDZBQOSA-N 1 2 413.518 2.039 20 0 HEADLO C[C@H](NC(=O)c1ccccc1NC(=O)C[N@@H+](C)CC(C)(CO)CO)c1ccccc1 ZINC000770524140 1078883887 /nfs/dbraw/zinc/88/38/87/1078883887.db2.gz NJPMWVHQSXBVGP-KRWDZBQOSA-N 1 2 413.518 2.039 20 0 HEADLO CC(C)(C)[C@H]1CCCC[C@H]1CNC(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000746378290 1078884179 /nfs/dbraw/zinc/88/41/79/1078884179.db2.gz RUAIQJGNWYFKOM-HKUYNNGSSA-N 1 2 419.570 2.123 20 0 HEADLO COC(=O)CN(CC[NH+]1CCOCC1)Cn1nc(-c2ccc(C)c(C)c2)oc1=S ZINC000746379792 1078884933 /nfs/dbraw/zinc/88/49/33/1078884933.db2.gz JWGFXAFDCFBVEG-UHFFFAOYSA-N 1 2 420.535 2.254 20 0 HEADLO Cc1ccc(Cn2nccc2NC(=O)C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)o1 ZINC000746380675 1078885916 /nfs/dbraw/zinc/88/59/16/1078885916.db2.gz DWIFXQBVTVXPIE-UHFFFAOYSA-N 1 2 404.430 2.273 20 0 HEADLO C[N@@H+]1CCc2nc(NC(=O)c3cccnc3I)sc2C1 ZINC000770550154 1078892862 /nfs/dbraw/zinc/89/28/62/1078892862.db2.gz QDGKFWXVFAMIJO-UHFFFAOYSA-N 1 2 400.245 2.383 20 0 HEADLO C[N@H+]1CCc2nc(NC(=O)c3cccnc3I)sc2C1 ZINC000770550154 1078892867 /nfs/dbraw/zinc/89/28/67/1078892867.db2.gz QDGKFWXVFAMIJO-UHFFFAOYSA-N 1 2 400.245 2.383 20 0 HEADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)[C@H]1CCCN1C(=O)OCC(F)(F)F ZINC000770667000 1078925563 /nfs/dbraw/zinc/92/55/63/1078925563.db2.gz RODFYYHERVSCJO-CQSZACIVSA-N 1 2 416.400 2.328 20 0 HEADLO CCOC1CC(CNC(=O)Nc2cccc(CCOC(C)=O)c2)([NH+]2CCOCC2)C1 ZINC000770673888 1078928214 /nfs/dbraw/zinc/92/82/14/1078928214.db2.gz INUJHPSGKGRKGD-UHFFFAOYSA-N 1 2 419.522 2.184 20 0 HEADLO COCCNS(=O)(=O)c1ccc(CNc2[nH+]cnc3c2cnn3C(C)(C)C)cc1 ZINC000766397339 1078951957 /nfs/dbraw/zinc/95/19/57/1078951957.db2.gz BLKFASJTMABCMI-UHFFFAOYSA-N 1 2 418.523 2.118 20 0 HEADLO CN(C)c1ccc([NH+]2CCC(NC(=O)N3CCCC[C@H](S(C)(=O)=O)C3)CC2)cc1 ZINC000770694262 1078962264 /nfs/dbraw/zinc/96/22/64/1078962264.db2.gz KDRNTUCVBWFILK-FQEVSTJZSA-N 1 2 422.595 2.330 20 0 HEADLO C[C@H]1CCN(S(=O)(=O)c2cc(S(C)(=O)=O)sc2Cl)C[C@@H]1n1cc[nH+]c1 ZINC000770693863 1078963021 /nfs/dbraw/zinc/96/30/21/1078963021.db2.gz ZBCKNRIQOOEKGC-QWRGUYRKSA-N 1 2 423.969 2.273 20 0 HEADLO Cc1ccc(NC(=O)[C@H]2CCC[N@@H+]([C@@H](C)C(=O)Nc3sccc3C(N)=O)C2)nc1 ZINC000746457020 1078995732 /nfs/dbraw/zinc/99/57/32/1078995732.db2.gz IBTYUQCVVHVADA-KBPBESRZSA-N 1 2 415.519 2.228 20 0 HEADLO Cc1ccc(NC(=O)[C@H]2CCC[N@H+]([C@@H](C)C(=O)Nc3sccc3C(N)=O)C2)nc1 ZINC000746457020 1078995741 /nfs/dbraw/zinc/99/57/41/1078995741.db2.gz IBTYUQCVVHVADA-KBPBESRZSA-N 1 2 415.519 2.228 20 0 HEADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)C(=O)Nc1cnn(C)c1C1CC1 ZINC000770750100 1079004978 /nfs/dbraw/zinc/00/49/78/1079004978.db2.gz UUNRDNNGTJVUGH-UHFFFAOYSA-N 1 2 410.522 2.396 20 0 HEADLO Cc1nc(N2CCN(C(=O)[C@@H]3CCCN(C(=O)OCc4ccccc4)C3)CC2)cc[nH+]1 ZINC000766456195 1079009236 /nfs/dbraw/zinc/00/92/36/1079009236.db2.gz JNIDNTAZFFWIRR-HXUWFJFHSA-N 1 2 423.517 2.482 20 0 HEADLO O=C(CCn1cc[nH+]c1)Nc1cccc(C(=O)N[C@H](CO)C[C@H](O)c2ccccc2)c1 ZINC000770848564 1079036764 /nfs/dbraw/zinc/03/67/64/1079036764.db2.gz FFIBWATYGBDCPW-SFTDATJTSA-N 1 2 422.485 2.126 20 0 HEADLO CCOC1CC(CNC(=S)N[C@@H]2CCc3ccccc3C2)([NH+]2CCOCC2)C1 ZINC000766523630 1079062672 /nfs/dbraw/zinc/06/26/72/1079062672.db2.gz VMAXKEKCJQLZEX-VRKFHHGPSA-N 1 2 403.592 2.278 20 0 HEADLO Cc1nn(CCS(C)(=O)=O)c(C)c1C[N@H+](C[C@H]1CCCO1)[C@H]1CCSC1 ZINC001168884764 1079068256 /nfs/dbraw/zinc/06/82/56/1079068256.db2.gz FKCQXHNEMDDBOW-DLBZAZTESA-N 1 2 401.598 2.031 20 0 HEADLO Cc1nn(CCS(C)(=O)=O)c(C)c1C[N@@H+](C[C@H]1CCCO1)[C@H]1CCSC1 ZINC001168884764 1079068261 /nfs/dbraw/zinc/06/82/61/1079068261.db2.gz FKCQXHNEMDDBOW-DLBZAZTESA-N 1 2 401.598 2.031 20 0 HEADLO CSC[C@H](C(=O)OCc1cccc2[nH+]ccn21)N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000770920515 1079080889 /nfs/dbraw/zinc/08/08/89/1079080889.db2.gz KAUACIUYCQPVDT-BZUAXINKSA-N 1 2 401.488 2.284 20 0 HEADLO NC(=O)c1ccc(/C=C\C(=O)N2CCC[C@@H]2C(=O)OCc2cccc3[nH+]ccn32)cc1 ZINC000770923184 1079082143 /nfs/dbraw/zinc/08/21/43/1079082143.db2.gz YLLNIXRXTAFJQZ-SCEWNMGZSA-N 1 2 418.453 2.181 20 0 HEADLO CCOC(=O)[C@H](Nc1ccc2[nH+]cn(C)c2c1)[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC001169044226 1079110173 /nfs/dbraw/zinc/11/01/73/1079110173.db2.gz OGHVBWRLNJWKNJ-MOPGFXCFSA-N 1 2 417.487 2.054 20 0 HEADLO CC(C)(C)OC(=O)NC[C@H](C(=O)N1CC[NH+]([C@H]2CCOC2)CC1)c1ccccc1 ZINC000771033253 1079110251 /nfs/dbraw/zinc/11/02/51/1079110251.db2.gz OJDFRWCDQMSASW-OALUTQOASA-N 1 2 403.523 2.228 20 0 HEADLO Cc1cc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)c(C)c[nH+]1 ZINC000766578086 1079117646 /nfs/dbraw/zinc/11/76/46/1079117646.db2.gz LFOSSPHIYXDZHD-UHFFFAOYSA-N 1 2 409.895 2.047 20 0 HEADLO CCOC(=O)[C@@H]1CC[C@H]([N@H+]2Cc3nccn3C[C@@H](COCc3cccnc3)C2)CO1 ZINC001169391775 1079261008 /nfs/dbraw/zinc/26/10/08/1079261008.db2.gz JZYWCYCNSYOVQY-AABGKKOBSA-N 1 2 414.506 2.037 20 0 HEADLO CCOC(=O)[C@@H]1CC[C@H]([N@@H+]2Cc3nccn3C[C@@H](COCc3cccnc3)C2)CO1 ZINC001169391775 1079261019 /nfs/dbraw/zinc/26/10/19/1079261019.db2.gz JZYWCYCNSYOVQY-AABGKKOBSA-N 1 2 414.506 2.037 20 0 HEADLO Cc1[nH+]ccn1-c1ncccc1CNC(=O)NCc1nc(COc2ccccc2)n[nH]1 ZINC000771299489 1079273135 /nfs/dbraw/zinc/27/31/35/1079273135.db2.gz GKUQVPZOGBONQO-UHFFFAOYSA-N 1 2 418.461 2.272 20 0 HEADLO CS(=O)(=O)[C@@H]1CCCN(C(=O)NCCN(Cc2ccccc2)c2cccc[nH+]2)C1 ZINC001687511606 1079273853 /nfs/dbraw/zinc/27/38/53/1079273853.db2.gz ZHCAEBFLWTUNOI-LJQANCHMSA-N 1 2 416.547 2.307 20 0 HEADLO O=C(OCc1ccccc1)[C@@H]1CCC[NH2+][C@@H](Nc2ncccc2N2C(=O)C=CC2=O)C1 ZINC001169514860 1079319051 /nfs/dbraw/zinc/31/90/51/1079319051.db2.gz SARYIEOTWUUEKP-MJGOQNOKSA-N 1 2 420.469 2.382 20 0 HEADLO Cn1cc([C@H](O)C[C@H]2CCCN2C(=O)NCc2ccccc2Cn2cc[nH+]c2)cn1 ZINC000766754081 1079332133 /nfs/dbraw/zinc/33/21/33/1079332133.db2.gz NSKQSDFDVYPNNC-NHCUHLMSSA-N 1 2 408.506 2.463 20 0 HEADLO CCOC(=O)N1CCC[C@@H]([NH2+][C@@H](CCNC(=O)OC(C)(C)C)C(=O)OC)CC1 ZINC001169645379 1079354839 /nfs/dbraw/zinc/35/48/39/1079354839.db2.gz NIXGIWJYAGYFJC-CABCVRRESA-N 1 2 401.504 2.043 20 0 HEADLO COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)OCc2cccc3[nH+]ccn32)C1=O ZINC000771635957 1079443612 /nfs/dbraw/zinc/44/36/12/1079443612.db2.gz GXOFRCTXSNINCY-JOCHJYFZSA-N 1 2 422.441 2.162 20 0 HEADLO CCOC(=O)C[N@H+](CCCNC(=O)OC(C)(C)C)C1CCC(S(C)(=O)=O)CC1 ZINC001169893807 1079466746 /nfs/dbraw/zinc/46/67/46/1079466746.db2.gz IESLDAXQBSMUCE-UHFFFAOYSA-N 1 2 420.572 2.122 20 0 HEADLO CCOC(=O)C[N@@H+](CCCNC(=O)OC(C)(C)C)C1CCC(S(C)(=O)=O)CC1 ZINC001169893807 1079466749 /nfs/dbraw/zinc/46/67/49/1079466749.db2.gz IESLDAXQBSMUCE-UHFFFAOYSA-N 1 2 420.572 2.122 20 0 HEADLO C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)CN1C(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000771739516 1079473712 /nfs/dbraw/zinc/47/37/12/1079473712.db2.gz DVKFIPXABGHEEP-SJORKVTESA-N 1 2 419.570 2.488 20 0 HEADLO CCOC(Cn1cc(C(=O)Nc2cc(C[NH+]3CCOCC3)ccc2C)nn1)OCC ZINC000737936132 1075940297 /nfs/dbraw/zinc/94/02/97/1075940297.db2.gz NGGIHGHOWBNITA-UHFFFAOYSA-N 1 2 417.510 2.070 20 0 HEADLO COC(=O)[C@H]1CCC[N@H+](CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)C1 ZINC000738058527 1075961697 /nfs/dbraw/zinc/96/16/97/1075961697.db2.gz XJRVXTPSXBTHLS-KRWDZBQOSA-N 1 2 407.470 2.325 20 0 HEADLO COC(=O)[C@H]1CCC[N@@H+](CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)C1 ZINC000738058527 1075961705 /nfs/dbraw/zinc/96/17/05/1075961705.db2.gz XJRVXTPSXBTHLS-KRWDZBQOSA-N 1 2 407.470 2.325 20 0 HEADLO NC(=O)CCn1c(-c2ccco2)nn(CN2CCC[C@@H](n3cc[nH+]c3)C2)c1=S ZINC000738157099 1075970389 /nfs/dbraw/zinc/97/03/89/1075970389.db2.gz GRLRQBJCVAAQPI-CQSZACIVSA-N 1 2 401.496 2.041 20 0 HEADLO C[C@H]1CSCC[N@@H+]1CC(=O)Nc1cccc(S(=O)(=O)NC2=NCCCCC2)c1 ZINC000738337271 1075984120 /nfs/dbraw/zinc/98/41/20/1075984120.db2.gz AUGIYXUXNLVXML-HNNXBMFYSA-N 1 2 424.592 2.313 20 0 HEADLO C[C@H]1CSCC[N@H+]1CC(=O)Nc1cccc(S(=O)(=O)NC2=NCCCCC2)c1 ZINC000738337271 1075984124 /nfs/dbraw/zinc/98/41/24/1075984124.db2.gz AUGIYXUXNLVXML-HNNXBMFYSA-N 1 2 424.592 2.313 20 0 HEADLO C[N@H+](CCN1CCN(C(=O)OC(C)(C)C)CC1)CC(=O)Nc1ccc(Cl)cn1 ZINC000738326156 1075990100 /nfs/dbraw/zinc/99/01/00/1075990100.db2.gz CQUBVWNFKKWOPH-UHFFFAOYSA-N 1 2 411.934 2.158 20 0 HEADLO C[N@@H+](CCN1CCN(C(=O)OC(C)(C)C)CC1)CC(=O)Nc1ccc(Cl)cn1 ZINC000738326156 1075990104 /nfs/dbraw/zinc/99/01/04/1075990104.db2.gz CQUBVWNFKKWOPH-UHFFFAOYSA-N 1 2 411.934 2.158 20 0 HEADLO C[N@H+](CCN1CCN(C(=O)OC(C)(C)C)CC1)CC(=O)Nc1cc(F)cc(F)c1 ZINC000738326995 1075991034 /nfs/dbraw/zinc/99/10/34/1075991034.db2.gz SYPBIPRAVLIJPQ-UHFFFAOYSA-N 1 2 412.481 2.388 20 0 HEADLO C[N@@H+](CCN1CCN(C(=O)OC(C)(C)C)CC1)CC(=O)Nc1cc(F)cc(F)c1 ZINC000738326995 1075991036 /nfs/dbraw/zinc/99/10/36/1075991036.db2.gz SYPBIPRAVLIJPQ-UHFFFAOYSA-N 1 2 412.481 2.388 20 0 HEADLO O=C(OCCOCCO)c1cccnc1N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000740236800 1076130593 /nfs/dbraw/zinc/13/05/93/1076130593.db2.gz CUOBMMDERVMSQJ-UHFFFAOYSA-N 1 2 419.909 2.223 20 0 HEADLO CC(C)C[C@]1(C)CC(=O)N(CN2CC[NH+](Cc3ccc4c(c3)OCCO4)CC2)C1=O ZINC000740853559 1076267764 /nfs/dbraw/zinc/26/77/64/1076267764.db2.gz UFQZTMKROZQFNO-HSZRJFAPSA-N 1 2 415.534 2.344 20 0 HEADLO C[C@H]1C[N@H+](CN2C(=O)NC(C3CC3)(C3CC3)C2=O)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000740856861 1076269790 /nfs/dbraw/zinc/26/97/90/1076269790.db2.gz WJXDZOJLMQYHAP-BBRMVZONSA-N 1 2 406.527 2.290 20 0 HEADLO C[C@H]1C[N@@H+](CN2C(=O)NC(C3CC3)(C3CC3)C2=O)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000740856861 1076269796 /nfs/dbraw/zinc/26/97/96/1076269796.db2.gz WJXDZOJLMQYHAP-BBRMVZONSA-N 1 2 406.527 2.290 20 0 HEADLO C[C@@H]1C[N@H+](Cc2ccc(S(=O)(=O)N(C)C)o2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000740881063 1076281093 /nfs/dbraw/zinc/28/10/93/1076281093.db2.gz GKIHRZFRNNBCDI-HIFRSBDPSA-N 1 2 401.529 2.265 20 0 HEADLO C[C@@H]1C[N@@H+](Cc2ccc(S(=O)(=O)N(C)C)o2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000740881063 1076281098 /nfs/dbraw/zinc/28/10/98/1076281098.db2.gz GKIHRZFRNNBCDI-HIFRSBDPSA-N 1 2 401.529 2.265 20 0 HEADLO O=C(COC(=O)c1ccccc1SCCO)N1CC[NH+](Cc2cccs2)CC1 ZINC000740967087 1076314679 /nfs/dbraw/zinc/31/46/79/1076314679.db2.gz ASAWCZUUNQMBCB-UHFFFAOYSA-N 1 2 420.556 2.334 20 0 HEADLO C[C@H](C(=O)OCC(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O)[NH+]1CCCCCC1 ZINC000741030954 1076331452 /nfs/dbraw/zinc/33/14/52/1076331452.db2.gz JVOIJBKEXRDUHZ-MRXNPFEDSA-N 1 2 422.547 2.389 20 0 HEADLO CC[NH+](CC)[C@H](C(=O)OCCN1C(=O)CNC1=O)c1cccc(C(F)(F)F)c1 ZINC000741025315 1076341445 /nfs/dbraw/zinc/34/14/45/1076341445.db2.gz FAZJKOAZNVHDFQ-HNNXBMFYSA-N 1 2 401.385 2.183 20 0 HEADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)NC[C@](C)(O)c2ccsc2)CC1 ZINC000741057425 1076347078 /nfs/dbraw/zinc/34/70/78/1076347078.db2.gz VZOSOPICJPMWDP-FQEVSTJZSA-N 1 2 402.520 2.165 20 0 HEADLO O=C(NC[C@@H](O)c1c(F)cccc1F)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000741073667 1076353901 /nfs/dbraw/zinc/35/39/01/1076353901.db2.gz BYZJKTFWXMZFSS-QFBILLFUSA-N 1 2 405.445 2.198 20 0 HEADLO O=C(NC[C@@H](O)c1c(F)cccc1F)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000741073667 1076353903 /nfs/dbraw/zinc/35/39/03/1076353903.db2.gz BYZJKTFWXMZFSS-QFBILLFUSA-N 1 2 405.445 2.198 20 0 HEADLO C[N@@H+]1CCCC[C@H]1C(=O)OCC(=O)Nc1ccccc1I ZINC000741147455 1076392692 /nfs/dbraw/zinc/39/26/92/1076392692.db2.gz UZRIYAVHJOWEFB-ZDUSSCGKSA-N 1 2 402.232 2.257 20 0 HEADLO C[N@H+]1CCCC[C@H]1C(=O)OCC(=O)Nc1ccccc1I ZINC000741147455 1076392695 /nfs/dbraw/zinc/39/26/95/1076392695.db2.gz UZRIYAVHJOWEFB-ZDUSSCGKSA-N 1 2 402.232 2.257 20 0 HEADLO O=C(NC[C@@H]1CCCO1)c1ccccc1NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000741176216 1076396022 /nfs/dbraw/zinc/39/60/22/1076396022.db2.gz TVFQLEYZVUYHOI-UGKGYDQZSA-N 1 2 423.513 2.435 20 0 HEADLO O=C(NC[C@@H]1CCCO1)c1ccccc1NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000741176216 1076396025 /nfs/dbraw/zinc/39/60/25/1076396025.db2.gz TVFQLEYZVUYHOI-UGKGYDQZSA-N 1 2 423.513 2.435 20 0 HEADLO O=C(C[C@H]1C[N@H+](Cc2ccccc2)CCO1)OCCN1C(=O)c2ccccc2C1=O ZINC000741358042 1076482902 /nfs/dbraw/zinc/48/29/02/1076482902.db2.gz WSEUQYSHNHOYLV-SFHVURJKSA-N 1 2 408.454 2.117 20 0 HEADLO O=C(C[C@H]1C[N@@H+](Cc2ccccc2)CCO1)OCCN1C(=O)c2ccccc2C1=O ZINC000741358042 1076482909 /nfs/dbraw/zinc/48/29/09/1076482909.db2.gz WSEUQYSHNHOYLV-SFHVURJKSA-N 1 2 408.454 2.117 20 0 HEADLO O=C(COC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1)Nc1nnc([C@H]2CCCO2)o1 ZINC000741348882 1076490541 /nfs/dbraw/zinc/49/05/41/1076490541.db2.gz AYZAFNCQFGWXOS-DLBZAZTESA-N 1 2 414.462 2.458 20 0 HEADLO O=C(COC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1)Nc1nnc([C@H]2CCCO2)o1 ZINC000741348882 1076490556 /nfs/dbraw/zinc/49/05/56/1076490556.db2.gz AYZAFNCQFGWXOS-DLBZAZTESA-N 1 2 414.462 2.458 20 0 HEADLO O=C(C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)OCCc1nnnn1-c1ccccc1 ZINC000741350472 1076491509 /nfs/dbraw/zinc/49/15/09/1076491509.db2.gz AMGIFZGIWWKBMK-HXUWFJFHSA-N 1 2 407.474 2.039 20 0 HEADLO O=C(C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)OCCc1nnnn1-c1ccccc1 ZINC000741350472 1076491512 /nfs/dbraw/zinc/49/15/12/1076491512.db2.gz AMGIFZGIWWKBMK-HXUWFJFHSA-N 1 2 407.474 2.039 20 0 HEADLO CNC(=O)[C@H](NC(=O)COC(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1)c1ccccc1 ZINC000741350991 1076491650 /nfs/dbraw/zinc/49/16/50/1076491650.db2.gz JRGBUBIIFHPCOM-IFMALSPDSA-N 1 2 423.513 2.188 20 0 HEADLO CNC(=O)[C@H](NC(=O)COC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1)c1ccccc1 ZINC000741350991 1076491653 /nfs/dbraw/zinc/49/16/53/1076491653.db2.gz JRGBUBIIFHPCOM-IFMALSPDSA-N 1 2 423.513 2.188 20 0 HEADLO CNC(=O)[C@@H](NC(=O)COC(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1)c1ccccc1 ZINC000741350992 1076491701 /nfs/dbraw/zinc/49/17/01/1076491701.db2.gz JRGBUBIIFHPCOM-IRLDBZIGSA-N 1 2 423.513 2.188 20 0 HEADLO CNC(=O)[C@@H](NC(=O)COC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1)c1ccccc1 ZINC000741350992 1076491703 /nfs/dbraw/zinc/49/17/03/1076491703.db2.gz JRGBUBIIFHPCOM-IRLDBZIGSA-N 1 2 423.513 2.188 20 0 HEADLO O=C(COC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1)N[C@@H]1CCOc2ccccc21 ZINC000741376773 1076503990 /nfs/dbraw/zinc/50/39/90/1076503990.db2.gz FLWYTJPNPRPYPZ-TZIWHRDSSA-N 1 2 410.470 2.071 20 0 HEADLO O=C(COC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1)N[C@@H]1CCOc2ccccc21 ZINC000741376773 1076503993 /nfs/dbraw/zinc/50/39/93/1076503993.db2.gz FLWYTJPNPRPYPZ-TZIWHRDSSA-N 1 2 410.470 2.071 20 0 HEADLO CC(C)CN(CC(F)(F)F)C(=O)COC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000741381418 1076506300 /nfs/dbraw/zinc/50/63/00/1076506300.db2.gz BWNFXVXLYLUPSO-KRWDZBQOSA-N 1 2 416.440 2.478 20 0 HEADLO CC(C)CN(CC(F)(F)F)C(=O)COC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000741381418 1076506311 /nfs/dbraw/zinc/50/63/11/1076506311.db2.gz BWNFXVXLYLUPSO-KRWDZBQOSA-N 1 2 416.440 2.478 20 0 HEADLO COc1ccccc1[C@@H](C)NC(=O)COC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000741385013 1076508396 /nfs/dbraw/zinc/50/83/96/1076508396.db2.gz YVFAYODJTJSDSV-UTKZUKDTSA-N 1 2 412.486 2.317 20 0 HEADLO COc1ccccc1[C@@H](C)NC(=O)COC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000741385013 1076508399 /nfs/dbraw/zinc/50/83/99/1076508399.db2.gz YVFAYODJTJSDSV-UTKZUKDTSA-N 1 2 412.486 2.317 20 0 HEADLO CN(Cc1ccc(F)cc1)C(=O)COC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000741385503 1076509798 /nfs/dbraw/zinc/50/97/98/1076509798.db2.gz RMBDKHVSIBWHCD-FQEVSTJZSA-N 1 2 400.450 2.228 20 0 HEADLO CN(Cc1ccc(F)cc1)C(=O)COC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000741385503 1076509802 /nfs/dbraw/zinc/50/98/02/1076509802.db2.gz RMBDKHVSIBWHCD-FQEVSTJZSA-N 1 2 400.450 2.228 20 0 HEADLO O=C(Nc1cccc2[nH+]ccn21)C1CCN(S(=O)(=O)c2cccnc2Cl)CC1 ZINC000741740534 1076617103 /nfs/dbraw/zinc/61/71/03/1076617103.db2.gz SOUWJBQWCKZSLB-UHFFFAOYSA-N 1 2 419.894 2.422 20 0 HEADLO CCCCOC(=O)c1ccc(NC(=O)C[N@@H+]2CC[C@H](CN3CCOCC3)C2)cc1 ZINC000741808565 1076633830 /nfs/dbraw/zinc/63/38/30/1076633830.db2.gz MLRDZZRIOYRHEH-GOSISDBHSA-N 1 2 403.523 2.236 20 0 HEADLO CCCCOC(=O)c1ccc(NC(=O)C[N@H+]2CC[C@H](CN3CCOCC3)C2)cc1 ZINC000741808565 1076633835 /nfs/dbraw/zinc/63/38/35/1076633835.db2.gz MLRDZZRIOYRHEH-GOSISDBHSA-N 1 2 403.523 2.236 20 0 HEADLO C[C@H]1CN(CC(=O)N2CC[NH+](Cc3cccs3)CC2)CCN1C(=O)OC(C)(C)C ZINC000741803944 1076643102 /nfs/dbraw/zinc/64/31/02/1076643102.db2.gz KZSZDJMVUZGIRP-KRWDZBQOSA-N 1 2 422.595 2.334 20 0 HEADLO NC(=O)c1ccc(/C=C\C(=O)N2CCC[C@H]2C(=O)Nc2cccc3[nH+]ccn32)cc1 ZINC000741969934 1076700209 /nfs/dbraw/zinc/70/02/09/1076700209.db2.gz RMDVYOLPLNOXDK-NLZINVLXSA-N 1 2 403.442 2.076 20 0 HEADLO CN(C)c1ccc([NH+]2CCC(NC(=O)CN3C(=O)COc4ccccc43)CC2)cc1 ZINC000741982615 1076702381 /nfs/dbraw/zinc/70/23/81/1076702381.db2.gz BGWAMDBOXSXTIT-UHFFFAOYSA-N 1 2 408.502 2.263 20 0 HEADLO Cc1cc(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)ccc1NC(=O)CC(C)C ZINC000742073024 1076735361 /nfs/dbraw/zinc/73/53/61/1076735361.db2.gz QHLNJEAKURQGJD-UHFFFAOYSA-N 1 2 423.579 2.218 20 0 HEADLO CCC(=O)N[C@@H](CCSC)C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000742109448 1076745155 /nfs/dbraw/zinc/74/51/55/1076745155.db2.gz PNVIHUXFQNECDD-IBGZPJMESA-N 1 2 406.596 2.486 20 0 HEADLO COC(=O)[C@@H](C)C[N@@H+](Cc1ccccc1)CN1C(=O)N[C@H](Cc2ccccc2)C1=O ZINC000742148653 1076765228 /nfs/dbraw/zinc/76/52/28/1076765228.db2.gz AGHLELKXBIPJDO-FXAWDEMLSA-N 1 2 409.486 2.418 20 0 HEADLO COC(=O)[C@@H](C)C[N@H+](Cc1ccccc1)CN1C(=O)N[C@H](Cc2ccccc2)C1=O ZINC000742148653 1076765240 /nfs/dbraw/zinc/76/52/40/1076765240.db2.gz AGHLELKXBIPJDO-FXAWDEMLSA-N 1 2 409.486 2.418 20 0 HEADLO C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(Cn2cc(S(=O)(=O)N(C)C)cn2)CC1 ZINC000742177795 1076793123 /nfs/dbraw/zinc/79/31/23/1076793123.db2.gz ZIFQRHQZFNIISQ-OAHLLOKOSA-N 1 2 411.959 2.123 20 0 HEADLO O=S(=O)(/C=C\c1ccc(Br)cc1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000742316231 1076828502 /nfs/dbraw/zinc/82/85/02/1076828502.db2.gz FWUMKKZPJBOGAY-NCALTVRCSA-N 1 2 415.353 2.404 20 0 HEADLO O=C1OCCN1c1cccc2c1CCN(c1cc(N3CCC[C@H](CO)C3)[nH+]cn1)C2 ZINC000742423807 1076837198 /nfs/dbraw/zinc/83/71/98/1076837198.db2.gz VRTHWOUYDVVSTI-INIZCTEOSA-N 1 2 409.490 2.205 20 0 HEADLO O=C1OCCN1c1cccc2c1CCN(c1cc(N3CCC[C@H](CO)C3)nc[nH+]1)C2 ZINC000742423807 1076837199 /nfs/dbraw/zinc/83/71/99/1076837199.db2.gz VRTHWOUYDVVSTI-INIZCTEOSA-N 1 2 409.490 2.205 20 0 HEADLO CC(C)(C)OC(=O)NCCNC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000742458021 1076844074 /nfs/dbraw/zinc/84/40/74/1076844074.db2.gz PUTAPZROKXEMGJ-UHFFFAOYSA-N 1 2 401.467 2.166 20 0 HEADLO CC[C@]1(c2ccccc2)NC(=O)N(CN2CC[NH+](Cc3c(C)noc3C)CC2)C1=O ZINC000742550215 1076851086 /nfs/dbraw/zinc/85/10/86/1076851086.db2.gz KRDSNHKHYNFPSU-JOCHJYFZSA-N 1 2 411.506 2.224 20 0 HEADLO CC[C@]1(c2ccc(Cl)cc2)NC(=O)N(C[N@@H+]2CCC[C@@H](CNC(C)=O)C2)C1=O ZINC000742557471 1076851783 /nfs/dbraw/zinc/85/17/83/1076851783.db2.gz GBCFHOLLSYILBS-MGPUTAFESA-N 1 2 406.914 2.303 20 0 HEADLO CC[C@]1(c2ccc(Cl)cc2)NC(=O)N(C[N@H+]2CCC[C@@H](CNC(C)=O)C2)C1=O ZINC000742557471 1076851787 /nfs/dbraw/zinc/85/17/87/1076851787.db2.gz GBCFHOLLSYILBS-MGPUTAFESA-N 1 2 406.914 2.303 20 0 HEADLO N=C1NC(=O)C(CC(=O)Nc2ccc(NC(=O)C[NH+]3CCCCCCC3)cc2)S1 ZINC000742621950 1076854405 /nfs/dbraw/zinc/85/44/05/1076854405.db2.gz AEFVNYOCAASEOO-MRXNPFEDSA-N 1 2 417.535 2.386 20 0 HEADLO C[C@@H](C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)c1ccc(Br)s1 ZINC000742656739 1076865296 /nfs/dbraw/zinc/86/52/96/1076865296.db2.gz HUKZIUNFJFHLPW-LLVKDONJSA-N 1 2 423.398 2.239 20 0 HEADLO Cc1ccc(C2N=NC(=S)N2CCC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)cc1 ZINC000742763646 1076874943 /nfs/dbraw/zinc/87/49/43/1076874943.db2.gz XJDAAKWGBAJGON-SFHVURJKSA-N 1 2 415.563 2.256 20 0 HEADLO CN(C[C@H]1CCCN1C(=O)C1CC[NH+](Cc2nccn2C)CC1)C(=O)OC(C)(C)C ZINC000742885722 1076891826 /nfs/dbraw/zinc/89/18/26/1076891826.db2.gz INDUCEFZRXTVIA-GOSISDBHSA-N 1 2 419.570 2.490 20 0 HEADLO C[C@H]1CN(c2ccc(NC(=O)Nc3cnn(CC[NH+]4CCOCC4)c3)cc2)CCO1 ZINC000743178688 1076991342 /nfs/dbraw/zinc/99/13/42/1076991342.db2.gz ZHHBDVYIAMKTKB-KRWDZBQOSA-N 1 2 414.510 2.084 20 0 HEADLO CCC1CCC2(CC1)NC(=O)N(C[NH+]1CCC(c3nnc4n3CCC4)CC1)C2=O ZINC000743354037 1077030837 /nfs/dbraw/zinc/03/08/37/1077030837.db2.gz KCPSAOWCYPOBDS-UHFFFAOYSA-N 1 2 400.527 2.252 20 0 HEADLO CCn1c2ccc(S(=O)(=O)N(C)C)cc2n(C[N@H+](C)CCc2cccs2)c1=O ZINC000743381537 1077037275 /nfs/dbraw/zinc/03/72/75/1077037275.db2.gz CWMNCNHTYVWBJV-UHFFFAOYSA-N 1 2 422.576 2.267 20 0 HEADLO CCn1c2ccc(S(=O)(=O)N(C)C)cc2n(C[N@@H+](C)CCc2cccs2)c1=O ZINC000743381537 1077037279 /nfs/dbraw/zinc/03/72/79/1077037279.db2.gz CWMNCNHTYVWBJV-UHFFFAOYSA-N 1 2 422.576 2.267 20 0 HEADLO CN(C[C@@H]1CCC[N@@H+]1CN1C(=O)NC(C2CC2)(C2CC2)C1=O)C(=O)OC(C)(C)C ZINC000743392822 1077040703 /nfs/dbraw/zinc/04/07/03/1077040703.db2.gz CSZBJMLZADDYAF-INIZCTEOSA-N 1 2 406.527 2.386 20 0 HEADLO CN(C[C@@H]1CCC[N@H+]1CN1C(=O)NC(C2CC2)(C2CC2)C1=O)C(=O)OC(C)(C)C ZINC000743392822 1077040710 /nfs/dbraw/zinc/04/07/10/1077040710.db2.gz CSZBJMLZADDYAF-INIZCTEOSA-N 1 2 406.527 2.386 20 0 HEADLO CCc1nsc(N2CCC[N@H+](Cn3ncc4cc(C(=O)OC)ccc43)CC2)n1 ZINC000743409173 1077048163 /nfs/dbraw/zinc/04/81/63/1077048163.db2.gz GEKGOCCHVQXTAU-UHFFFAOYSA-N 1 2 400.508 2.407 20 0 HEADLO CCc1nsc(N2CCC[N@@H+](Cn3ncc4cc(C(=O)OC)ccc43)CC2)n1 ZINC000743409173 1077048167 /nfs/dbraw/zinc/04/81/67/1077048167.db2.gz GEKGOCCHVQXTAU-UHFFFAOYSA-N 1 2 400.508 2.407 20 0 HEADLO O=C(Nc1ccc(-c2nnc3n2CCCCCC3)cc1)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000743422980 1077050637 /nfs/dbraw/zinc/05/06/37/1077050637.db2.gz CZPBJHJPAVTCKO-UHFFFAOYSA-N 1 2 422.533 2.307 20 0 HEADLO O=C(NCCc1cn2c([nH+]1)CCCC2)N1CCc2c(cccc2N2CCOC2=O)C1 ZINC000743532574 1077064894 /nfs/dbraw/zinc/06/48/94/1077064894.db2.gz SILIJLOJNBWELB-UHFFFAOYSA-N 1 2 409.490 2.486 20 0 HEADLO CN(C)c1ccc([NH+]2CCC(NC(=O)N[C@H]3CCCN(c4ncccn4)C3)CC2)cc1 ZINC000743555608 1077068461 /nfs/dbraw/zinc/06/84/61/1077068461.db2.gz CRGTXRJDAKUKER-IBGZPJMESA-N 1 2 423.565 2.480 20 0 HEADLO Cc1ccc(N2CC[C@@H](NC(=O)[C@H](c3ccccc3)[NH+]3CCC(O)CC3)C2=O)cc1 ZINC000743634567 1077084704 /nfs/dbraw/zinc/08/47/04/1077084704.db2.gz YOCIJUMWMJNIGG-YADHBBJMSA-N 1 2 407.514 2.415 20 0 HEADLO Cc1cccc(C2(O)CCN(C(=O)C[NH+]3CCN(c4ccccn4)CC3)CC2)c1C ZINC000743699632 1077093317 /nfs/dbraw/zinc/09/33/17/1077093317.db2.gz KCXHEUVPTHPTRZ-UHFFFAOYSA-N 1 2 408.546 2.331 20 0 HEADLO CC(C)(C)OC(=O)NC(C)(C)c1noc(CN2CCC[C@H]2C[NH+]2CCOCC2)n1 ZINC000743857828 1077145886 /nfs/dbraw/zinc/14/58/86/1077145886.db2.gz TWIDEALNBZKLBX-HNNXBMFYSA-N 1 2 409.531 2.126 20 0 HEADLO CC(C)(C)OC(=O)NC(C)(C)c1noc(C[N@@H+]2CCC[C@H]2CN2CCOCC2)n1 ZINC000743857828 1077145896 /nfs/dbraw/zinc/14/58/96/1077145896.db2.gz TWIDEALNBZKLBX-HNNXBMFYSA-N 1 2 409.531 2.126 20 0 HEADLO CC(C)(C)OC(=O)NC(C)(C)c1noc(C[N@H+]2CCC[C@H]2CN2CCOCC2)n1 ZINC000743857828 1077145906 /nfs/dbraw/zinc/14/59/06/1077145906.db2.gz TWIDEALNBZKLBX-HNNXBMFYSA-N 1 2 409.531 2.126 20 0 HEADLO Cc1ccc(N2CCOC2=O)cc1NC(=O)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000743883424 1077170556 /nfs/dbraw/zinc/17/05/56/1077170556.db2.gz ICSCILARTTXMMI-UHFFFAOYSA-N 1 2 423.473 2.070 20 0 HEADLO COc1cccc(/C=C(\C(=O)NCC[NH+]2Cc3ccccc3C2)n2nnnc2C)c1 ZINC000743921028 1077244874 /nfs/dbraw/zinc/24/48/74/1077244874.db2.gz GFVSHVDILHLZSP-FYJGNVAPSA-N 1 2 404.474 2.120 20 0 HEADLO CC(C)CNC(=O)C1CC[NH+](CN2C(=O)N[C@@](C)(c3ccccc3F)C2=O)CC1 ZINC000744130454 1077326183 /nfs/dbraw/zinc/32/61/83/1077326183.db2.gz LWCYDXWLTUNHIG-NRFANRHFSA-N 1 2 404.486 2.034 20 0 HEADLO COC(=O)c1c(C)[nH]c(C(=O)CO[NH+]=C(N)Cc2ccc(OC)c(OC)c2)c1C ZINC000744184548 1077336631 /nfs/dbraw/zinc/33/66/31/1077336631.db2.gz BPWGESQANUHHLN-UHFFFAOYSA-N 1 2 403.435 2.359 20 0 HEADLO O=C(NCc1ccccc1OCC[NH+]1CCOCC1)NC[C@H](O)c1ccc(F)cc1 ZINC000744292054 1077357524 /nfs/dbraw/zinc/35/75/24/1077357524.db2.gz NCSULRBGTQPXID-FQEVSTJZSA-N 1 2 417.481 2.070 20 0 HEADLO O=c1cc(CN2CC[NH+](C[C@@H](O)c3cccc(Cl)c3)CC2)nc2sccn21 ZINC000744384264 1077376993 /nfs/dbraw/zinc/37/69/93/1077376993.db2.gz KOCZBBFRFSRZRD-QGZVFWFLSA-N 1 2 404.923 2.261 20 0 HEADLO CC[C@@](C)([NH2+]CC(=O)NN1C(=O)N[C@@](CC)(c2ccccc2)C1=O)c1nccs1 ZINC000744403961 1077380882 /nfs/dbraw/zinc/38/08/82/1077380882.db2.gz BYWVWQLORHOIPF-UXHICEINSA-N 1 2 415.519 2.246 20 0 HEADLO COc1ccc2c(C[N@@H+](CC(=O)N3CCCC3)C[C@@H]3CCCO3)cc(=O)oc2c1 ZINC000744424667 1077387794 /nfs/dbraw/zinc/38/77/94/1077387794.db2.gz UASBSTFIEWBGBO-SFHVURJKSA-N 1 2 400.475 2.405 20 0 HEADLO COc1ccc2c(C[N@H+](CC(=O)N3CCCC3)C[C@@H]3CCCO3)cc(=O)oc2c1 ZINC000744424667 1077387804 /nfs/dbraw/zinc/38/78/04/1077387804.db2.gz UASBSTFIEWBGBO-SFHVURJKSA-N 1 2 400.475 2.405 20 0 HEADLO Cc1ccc(S(=O)(=O)NCC[N@@H+](C)Cc2cc(=O)oc3cc(O)ccc23)cc1 ZINC000744425047 1077387825 /nfs/dbraw/zinc/38/78/25/1077387825.db2.gz ZQJGFEHELKOZSR-UHFFFAOYSA-N 1 2 402.472 2.217 20 0 HEADLO Cc1ccc(S(=O)(=O)NCC[N@H+](C)Cc2cc(=O)oc3cc(O)ccc23)cc1 ZINC000744425047 1077387830 /nfs/dbraw/zinc/38/78/30/1077387830.db2.gz ZQJGFEHELKOZSR-UHFFFAOYSA-N 1 2 402.472 2.217 20 0 HEADLO COc1ccc2c(C[N@@H+](CC(=O)N3CCCC3)C[C@H]3CCCO3)cc(=O)oc2c1 ZINC000744424666 1077387944 /nfs/dbraw/zinc/38/79/44/1077387944.db2.gz UASBSTFIEWBGBO-GOSISDBHSA-N 1 2 400.475 2.405 20 0 HEADLO COc1ccc2c(C[N@H+](CC(=O)N3CCCC3)C[C@H]3CCCO3)cc(=O)oc2c1 ZINC000744424666 1077387948 /nfs/dbraw/zinc/38/79/48/1077387948.db2.gz UASBSTFIEWBGBO-GOSISDBHSA-N 1 2 400.475 2.405 20 0 HEADLO Cc1c(O)ccc2c(C[N@@H+](CC(=O)N3CCCC3)C[C@H]3CCCO3)cc(=O)oc12 ZINC000744424922 1077387986 /nfs/dbraw/zinc/38/79/86/1077387986.db2.gz WOCVPGNDQADPMN-QGZVFWFLSA-N 1 2 400.475 2.410 20 0 HEADLO Cc1c(O)ccc2c(C[N@H+](CC(=O)N3CCCC3)C[C@H]3CCCO3)cc(=O)oc12 ZINC000744424922 1077387991 /nfs/dbraw/zinc/38/79/91/1077387991.db2.gz WOCVPGNDQADPMN-QGZVFWFLSA-N 1 2 400.475 2.410 20 0 HEADLO C[N@H+](Cn1cc(I)cn1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000744438596 1077394850 /nfs/dbraw/zinc/39/48/50/1077394850.db2.gz MLHUPZIOLUDABT-LBPRGKRZSA-N 1 2 406.268 2.386 20 0 HEADLO C[N@@H+](Cn1cc(I)cn1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000744438596 1077394854 /nfs/dbraw/zinc/39/48/54/1077394854.db2.gz MLHUPZIOLUDABT-LBPRGKRZSA-N 1 2 406.268 2.386 20 0 HEADLO CCN(CC1CC[NH+](CN2C(=O)C(=O)N(C(C)C)C2=O)CC1)C(=O)OC(C)(C)C ZINC000744439950 1077395298 /nfs/dbraw/zinc/39/52/98/1077395298.db2.gz QKHSMWOOPRDOKF-UHFFFAOYSA-N 1 2 410.515 2.112 20 0 HEADLO C[C@@H](OC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1)C(=O)NC(=O)NCC(F)(F)F ZINC000745103625 1077732197 /nfs/dbraw/zinc/73/21/97/1077732197.db2.gz GXFNQTMTIRLPNF-HIFRSBDPSA-N 1 2 415.412 2.361 20 0 HEADLO C[C@@H](OC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1)C(=O)NC(=O)NCC(F)(F)F ZINC000745103625 1077732209 /nfs/dbraw/zinc/73/22/09/1077732209.db2.gz GXFNQTMTIRLPNF-HIFRSBDPSA-N 1 2 415.412 2.361 20 0 HEADLO CCOC(=O)c1cnn(-c2ccccc2)c1NC(=O)COC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000745082760 1077735626 /nfs/dbraw/zinc/73/56/26/1077735626.db2.gz RAXMKGZRKPZPHE-KRWDZBQOSA-N 1 2 414.462 2.015 20 0 HEADLO CCOC(=O)c1cnn(-c2ccccc2)c1NC(=O)COC(=O)[C@@H]1CCCC[N@H+]1C ZINC000745082760 1077735645 /nfs/dbraw/zinc/73/56/45/1077735645.db2.gz RAXMKGZRKPZPHE-KRWDZBQOSA-N 1 2 414.462 2.015 20 0 HEADLO CCn1nc(C)c(C(=O)OCC(=O)N2CC[NH+](Cc3ccsc3)CC2)c1Cl ZINC000745362639 1077814914 /nfs/dbraw/zinc/81/49/14/1077814914.db2.gz GASATBFVEPSUAI-UHFFFAOYSA-N 1 2 410.927 2.428 20 0 HEADLO Cc1[nH]nc(C(=O)N(C)CCN2CC[NH+](Cc3ccccc3)CC2)c1Br ZINC000804343853 1079511585 /nfs/dbraw/zinc/51/15/85/1079511585.db2.gz BSJLDLGLAWRIMS-UHFFFAOYSA-N 1 2 420.355 2.370 20 0 HEADLO Cn1cc([C@@H](O)C[C@H]2CCC[N@@H+]2CC(=O)N(Cc2ccco2)CC(F)(F)F)cn1 ZINC000766952678 1079517236 /nfs/dbraw/zinc/51/72/36/1079517236.db2.gz BPXDWEVBGAIQCV-WBVHZDCISA-N 1 2 414.428 2.492 20 0 HEADLO Cn1cc([C@@H](O)C[C@H]2CCC[N@H+]2CC(=O)N(Cc2ccco2)CC(F)(F)F)cn1 ZINC000766952678 1079517246 /nfs/dbraw/zinc/51/72/46/1079517246.db2.gz BPXDWEVBGAIQCV-WBVHZDCISA-N 1 2 414.428 2.492 20 0 HEADLO CC(C)(C)OC(=O)N1CC[C@@H]([N@H+](CN2C(=O)C[C@@]3(CCSC3)C2=O)C2CC2)C1 ZINC000771866996 1079557242 /nfs/dbraw/zinc/55/72/42/1079557242.db2.gz UOJLCXCRZVIXDH-FOIQADDNSA-N 1 2 409.552 2.300 20 0 HEADLO CC(C)(C)OC(=O)N1CC[C@@H]([N@@H+](CN2C(=O)C[C@@]3(CCSC3)C2=O)C2CC2)C1 ZINC000771866996 1079557265 /nfs/dbraw/zinc/55/72/65/1079557265.db2.gz UOJLCXCRZVIXDH-FOIQADDNSA-N 1 2 409.552 2.300 20 0 HEADLO CN(c1ccc(OCC(=O)OCCn2cc[nH+]c2)cc1)S(=O)(=O)c1cccs1 ZINC000771861521 1079569818 /nfs/dbraw/zinc/56/98/18/1079569818.db2.gz QEMUJIIUYJVPQZ-UHFFFAOYSA-N 1 2 421.500 2.392 20 0 HEADLO CN(C)c1ccc([NH+]2CCC(NC(=O)C(=O)NCCOCc3ccccc3)CC2)cc1 ZINC000804346045 1079585247 /nfs/dbraw/zinc/58/52/47/1079585247.db2.gz HTLLQIYFGBRRHV-UHFFFAOYSA-N 1 2 424.545 2.171 20 0 HEADLO CCc1cccnc1C(=O)OCC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000767061182 1079633961 /nfs/dbraw/zinc/63/39/61/1079633961.db2.gz XUCIOJIZYLUTSN-UHFFFAOYSA-N 1 2 409.486 2.080 20 0 HEADLO CC(C)(C)OC(=O)N1CC[NH+](CCCNC(=O)c2ccc(OC(F)F)cn2)CC1 ZINC000772012089 1079651397 /nfs/dbraw/zinc/65/13/97/1079651397.db2.gz DNEHSHJOZUUHBQ-UHFFFAOYSA-N 1 2 414.453 2.356 20 0 HEADLO Cc1nn(-c2ccccc2)c(C)c1NC(=O)COC(=O)C[N@@H+](C)[C@@H]1CCSC1 ZINC000772049785 1079669861 /nfs/dbraw/zinc/66/98/61/1079669861.db2.gz SIQPJTDTRDKPKY-QGZVFWFLSA-N 1 2 402.520 2.408 20 0 HEADLO Cc1nn(-c2ccccc2)c(C)c1NC(=O)COC(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000772049785 1079669866 /nfs/dbraw/zinc/66/98/66/1079669866.db2.gz SIQPJTDTRDKPKY-QGZVFWFLSA-N 1 2 402.520 2.408 20 0 HEADLO CCN(CC)C(=O)c1cccc(NC(=O)[C@@H](C)OC(=O)C[N@H+](C)[C@H]2CCSC2)c1 ZINC000772049618 1079669897 /nfs/dbraw/zinc/66/98/97/1079669897.db2.gz RMXZXUUEVAITDL-QAPCUYQASA-N 1 2 421.563 2.476 20 0 HEADLO CCN(CC)C(=O)c1cccc(NC(=O)[C@@H](C)OC(=O)C[N@@H+](C)[C@H]2CCSC2)c1 ZINC000772049618 1079669905 /nfs/dbraw/zinc/66/99/05/1079669905.db2.gz RMXZXUUEVAITDL-QAPCUYQASA-N 1 2 421.563 2.476 20 0 HEADLO C[C@@H](OC(=O)C[N@H+](C)[C@@H]1CCSC1)C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000772057590 1079676537 /nfs/dbraw/zinc/67/65/37/1079676537.db2.gz CXKRRBBJGHOSMA-RHEJXQKWSA-N 1 2 423.579 2.150 20 0 HEADLO C[C@@H](OC(=O)C[N@@H+](C)[C@@H]1CCSC1)C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000772057590 1079676545 /nfs/dbraw/zinc/67/65/45/1079676545.db2.gz CXKRRBBJGHOSMA-RHEJXQKWSA-N 1 2 423.579 2.150 20 0 HEADLO Cc1n[nH]c(C)c1C[C@@H](C)C(=O)OCC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000772080792 1079690674 /nfs/dbraw/zinc/69/06/74/1079690674.db2.gz MRUAXEAUCLLILA-CQSZACIVSA-N 1 2 404.536 2.154 20 0 HEADLO Cc1n[nH]c(C)c1C[C@H](C)C(=O)OCC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000772092544 1079699356 /nfs/dbraw/zinc/69/93/56/1079699356.db2.gz XSSZAELEHNPCLS-AWEZNQCLSA-N 1 2 404.536 2.154 20 0 HEADLO CCN(CC)C(=O)OC[C@@H]1CCCC[N@@H+]1CC(=O)NC(=O)NCc1ccccc1 ZINC001170038954 1079718496 /nfs/dbraw/zinc/71/84/96/1079718496.db2.gz JUMMHFYMYVNPHM-SFHVURJKSA-N 1 2 404.511 2.345 20 0 HEADLO CCN(CC)C(=O)OC[C@@H]1CCCC[N@H+]1CC(=O)NC(=O)NCc1ccccc1 ZINC001170038954 1079718504 /nfs/dbraw/zinc/71/85/04/1079718504.db2.gz JUMMHFYMYVNPHM-SFHVURJKSA-N 1 2 404.511 2.345 20 0 HEADLO COC(=O)c1ccc(C(=O)NCCC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)c(F)c1 ZINC000772220301 1079746067 /nfs/dbraw/zinc/74/60/67/1079746067.db2.gz WNQKWIVNNVVJHA-UHFFFAOYSA-N 1 2 423.485 2.285 20 0 HEADLO COC(=O)/C=C\c1ccc(OCC[NH+]2CCN(C(=O)N3CCCCC3)CC2)cc1 ZINC000767300491 1079800201 /nfs/dbraw/zinc/80/02/01/1079800201.db2.gz SFMAYORAJACSTN-YFHOEESVSA-N 1 2 401.507 2.475 20 0 HEADLO CCOc1cc(NC2CC[NH+]([C@H]3CC(=O)N(c4ccc(C)cc4)C3=O)CC2)ncn1 ZINC000767361741 1079829152 /nfs/dbraw/zinc/82/91/52/1079829152.db2.gz PVZJLWATRGUNJN-SFHVURJKSA-N 1 2 409.490 2.392 20 0 HEADLO CN(C)c1cc(COC(=O)CNS(=O)(=O)c2ccccc2C(F)(F)F)cc[nH+]1 ZINC000767399116 1079846332 /nfs/dbraw/zinc/84/63/32/1079846332.db2.gz LUGSEZDEZMVVEV-UHFFFAOYSA-N 1 2 417.409 2.188 20 0 HEADLO CCOC(=O)c1nnc2ccccc2c1NCC1([NH+]2CCOCC2)CC(OCC)C1 ZINC000767430852 1079859319 /nfs/dbraw/zinc/85/93/19/1079859319.db2.gz KEQFMOKZIIMEMX-UHFFFAOYSA-N 1 2 414.506 2.488 20 0 HEADLO Cc1cc(N2CCN(C(=O)COC(=O)c3ccnn3C(C)C)CC2)nc(C(C)C)[nH+]1 ZINC000767466213 1079867285 /nfs/dbraw/zinc/86/72/85/1079867285.db2.gz NVQNYIKJTCAKNG-UHFFFAOYSA-N 1 2 414.510 2.191 20 0 HEADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)Nc2ccc3[nH]c(C(F)F)nc3c2)CC1 ZINC000772425625 1079870274 /nfs/dbraw/zinc/87/02/74/1079870274.db2.gz BHJVVUUUOQORAQ-UHFFFAOYSA-N 1 2 415.466 2.131 20 0 HEADLO Cc1cccn2cc(CCNC(=O)c3ccc(F)c(S(=O)(=O)NC4CC4)c3)[nH+]c12 ZINC000746540990 1079881047 /nfs/dbraw/zinc/88/10/47/1079881047.db2.gz UQQPKCWIRYHVLA-UHFFFAOYSA-N 1 2 416.478 2.195 20 0 HEADLO CC(C)c1cc(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)nn1-c1ccccc1 ZINC000772456765 1079886767 /nfs/dbraw/zinc/88/67/67/1079886767.db2.gz GGONUTLDDGKIHF-UHFFFAOYSA-N 1 2 418.563 2.235 20 0 HEADLO CN(C)c1cc(COC(=O)CN2C(=O)c3ccccc3N3C(=O)CC[C@]32C)cc[nH+]1 ZINC000767475794 1079894341 /nfs/dbraw/zinc/89/43/41/1079894341.db2.gz ITBYASBORMVGIV-QFIPXVFZSA-N 1 2 408.458 2.190 20 0 HEADLO O=C(CCc1ccccc1)N1CCC(C(=O)OCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000767483256 1079899107 /nfs/dbraw/zinc/89/91/07/1079899107.db2.gz QXIBRFPMZRWEDY-OYRHEFFESA-N 1 2 400.519 2.264 20 0 HEADLO O=C(CCc1ccccc1)N1CCC(C(=O)OCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000767483256 1079899108 /nfs/dbraw/zinc/89/91/08/1079899108.db2.gz QXIBRFPMZRWEDY-OYRHEFFESA-N 1 2 400.519 2.264 20 0 HEADLO Cc1ccc(F)c(OCC(=O)OCC(=O)N2CC[NH+](Cc3cccs3)CC2)c1 ZINC000767517723 1079915126 /nfs/dbraw/zinc/91/51/26/1079915126.db2.gz VUAAJLAVWPWLHL-UHFFFAOYSA-N 1 2 406.479 2.462 20 0 HEADLO COc1cc(NC(=O)NC(C)C)c(C(=O)OCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)cc1OC ZINC000767521196 1079916216 /nfs/dbraw/zinc/91/62/16/1079916216.db2.gz BDIVUPNUBZIKJI-GASCZTMLSA-N 1 2 421.494 2.254 20 0 HEADLO COc1cc(NC(=O)NC(C)C)c(C(=O)OCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)cc1OC ZINC000767521196 1079916225 /nfs/dbraw/zinc/91/62/25/1079916225.db2.gz BDIVUPNUBZIKJI-GASCZTMLSA-N 1 2 421.494 2.254 20 0 HEADLO COC(=O)c1ccc(C(=O)OCC(=O)N2CC[NH+](Cc3ccsc3)CC2)c(F)c1 ZINC000772537052 1079919687 /nfs/dbraw/zinc/91/96/87/1079919687.db2.gz GVDHRDBUJZQYQG-UHFFFAOYSA-N 1 2 420.462 2.175 20 0 HEADLO C[C@H](OC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1)C(=O)c1ccc(F)cc1 ZINC000767536229 1079936033 /nfs/dbraw/zinc/93/60/33/1079936033.db2.gz FMRNKOATOKXLDU-INIZCTEOSA-N 1 2 413.449 2.464 20 0 HEADLO C[C@@H]1CN(c2ccc(NC(=O)CN3CC[NH+](Cc4ccncc4)CC3)cc2)C[C@H](C)O1 ZINC000767539600 1079942972 /nfs/dbraw/zinc/94/29/72/1079942972.db2.gz FJNLKBIZPABEKQ-BGYRXZFFSA-N 1 2 423.561 2.452 20 0 HEADLO CC(C)(C)OC(=O)N1CC[C@@H](N(C(=O)NCC(C)(C)[NH+]2CCOCC2)C2CC2)C1 ZINC000772587051 1079947638 /nfs/dbraw/zinc/94/76/38/1079947638.db2.gz BIUICFAQOSLDGK-QGZVFWFLSA-N 1 2 410.559 2.281 20 0 HEADLO C[C@H](NC(=O)N(C1CC1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1)[C@H](C)[NH+]1CCOCC1 ZINC000772602096 1080003170 /nfs/dbraw/zinc/00/31/70/1080003170.db2.gz SDPFRUFHPNURRR-XYJFISCASA-N 1 2 410.559 2.279 20 0 HEADLO CO[C@H](CNC(=O)OC(C)(C)C)CC(=O)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000767713691 1080047654 /nfs/dbraw/zinc/04/76/54/1080047654.db2.gz ZEVSAYDCEDAOMN-SFHVURJKSA-N 1 2 407.511 2.387 20 0 HEADLO COc1cc(S(=O)(=O)Nc2ccc(N3CC[C@H]([NH+](C)C)C3)cn2)cnc1Cl ZINC000767706888 1080057478 /nfs/dbraw/zinc/05/74/78/1080057478.db2.gz VMFQXVPUMRPVEH-ZDUSSCGKSA-N 1 2 411.915 2.080 20 0 HEADLO CC(C)(C)OC(=O)N1C[C@H]([N@@H+]2CCc3ccncc3C2)C[C@H]1C(=O)N1CCSC1 ZINC001170047790 1080064947 /nfs/dbraw/zinc/06/49/47/1080064947.db2.gz IBDXGUCYYSPENK-MSOLQXFVSA-N 1 2 418.563 2.351 20 0 HEADLO CC(C)(C)OC(=O)N1C[C@H]([N@H+]2CCc3ccncc3C2)C[C@H]1C(=O)N1CCSC1 ZINC001170047790 1080064958 /nfs/dbraw/zinc/06/49/58/1080064958.db2.gz IBDXGUCYYSPENK-MSOLQXFVSA-N 1 2 418.563 2.351 20 0 HEADLO CSC[C@H]1CCC[N@@H+]1Cn1nc(N2CCOCC2)n(C[C@H]2CCCO2)c1=S ZINC000767771160 1080079218 /nfs/dbraw/zinc/07/92/18/1080079218.db2.gz OYJDJVRYNIQMDU-HZPDHXFCSA-N 1 2 413.613 2.215 20 0 HEADLO CSC[C@H]1CCC[N@H+]1Cn1nc(N2CCOCC2)n(C[C@H]2CCCO2)c1=S ZINC000767771160 1080079228 /nfs/dbraw/zinc/07/92/28/1080079228.db2.gz OYJDJVRYNIQMDU-HZPDHXFCSA-N 1 2 413.613 2.215 20 0 HEADLO C[C@H](C(=O)Nc1cccc(F)c1)[NH+]1CCN(c2ccc(NS(C)(=O)=O)cc2)CC1 ZINC000767753425 1080086032 /nfs/dbraw/zinc/08/60/32/1080086032.db2.gz ZEWLJGYZFBQUDB-OAHLLOKOSA-N 1 2 420.510 2.346 20 0 HEADLO CCN(C(=O)C[NH+]1CCN(c2ccc(NS(C)(=O)=O)cc2)CC1)C1CCCCC1 ZINC000767753351 1080086212 /nfs/dbraw/zinc/08/62/12/1080086212.db2.gz NYCXCIKPHBEVDO-UHFFFAOYSA-N 1 2 422.595 2.361 20 0 HEADLO COc1cccc([C@H]2CN(C(=O)C3CCN(C(=O)[C@H](C)CSC)CC3)CC[NH2+]2)c1 ZINC001169975266 1080088233 /nfs/dbraw/zinc/08/82/33/1080088233.db2.gz PIKUYYIRCSXXNF-OXQOHEQNSA-N 1 2 419.591 2.406 20 0 HEADLO COc1cccc([C@@H]2CN(C(=O)[C@@]3(Cc4ccccc4)CCN(C)C3=O)CC[NH2+]2)c1 ZINC001169975660 1080093315 /nfs/dbraw/zinc/09/33/15/1080093315.db2.gz REDZRVQJLUFMIV-XUZZJYLKSA-N 1 2 407.514 2.259 20 0 HEADLO CCOc1ccnc(N2CCC[N@H+](CN3C(=O)C[C@](C)(CC(C)C)C3=O)CC2)n1 ZINC000767795516 1080098112 /nfs/dbraw/zinc/09/81/12/1080098112.db2.gz CRPSFORGIAGSEC-NRFANRHFSA-N 1 2 403.527 2.156 20 0 HEADLO CCOc1ccnc(N2CCC[N@@H+](CN3C(=O)C[C@](C)(CC(C)C)C3=O)CC2)n1 ZINC000767795516 1080098124 /nfs/dbraw/zinc/09/81/24/1080098124.db2.gz CRPSFORGIAGSEC-NRFANRHFSA-N 1 2 403.527 2.156 20 0 HEADLO O=C(COC(=O)c1cccc(-c2nc[nH]n2)c1)N1CC[NH+](Cc2cccs2)CC1 ZINC000767808465 1080110503 /nfs/dbraw/zinc/11/05/03/1080110503.db2.gz SBTHEZLKFLQGJK-UHFFFAOYSA-N 1 2 411.487 2.034 20 0 HEADLO CC(C)(C)OC(=O)N1C[C@H]([N@@H+]2CCc3cccnc3C2)C[C@H]1C(=O)N1CCSC1 ZINC001170049668 1080215622 /nfs/dbraw/zinc/21/56/22/1080215622.db2.gz DWANWCZVQWAJMH-AEFFLSMTSA-N 1 2 418.563 2.351 20 0 HEADLO CC(C)(C)OC(=O)N1C[C@H]([N@H+]2CCc3cccnc3C2)C[C@H]1C(=O)N1CCSC1 ZINC001170049668 1080215626 /nfs/dbraw/zinc/21/56/26/1080215626.db2.gz DWANWCZVQWAJMH-AEFFLSMTSA-N 1 2 418.563 2.351 20 0 HEADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)c2cc(F)c(C(F)(F)F)cc2F)CC1 ZINC000804362178 1080220681 /nfs/dbraw/zinc/22/06/81/1080220681.db2.gz UVGAQKFDCVZRCG-UHFFFAOYSA-N 1 2 414.396 2.222 20 0 HEADLO CC(C)(C)OC(=O)N1C[C@H]([N@@H+]2CCc3ncsc3C2)C[C@H]1C(=O)N1CCSC1 ZINC001170049834 1080250096 /nfs/dbraw/zinc/25/00/96/1080250096.db2.gz FLLVXFHGAPTSMF-HIFRSBDPSA-N 1 2 424.592 2.412 20 0 HEADLO CC(C)(C)OC(=O)N1C[C@H]([N@H+]2CCc3ncsc3C2)C[C@H]1C(=O)N1CCSC1 ZINC001170049834 1080250108 /nfs/dbraw/zinc/25/01/08/1080250108.db2.gz FLLVXFHGAPTSMF-HIFRSBDPSA-N 1 2 424.592 2.412 20 0 HEADLO O=C(NCC[N@@H+]1CCc2c(Cl)cccc2C1)N[C@@H](CO)C[C@H](O)c1ccccc1 ZINC000785944343 1080310104 /nfs/dbraw/zinc/31/01/04/1080310104.db2.gz ATSFGZDOWBAJSH-NQIIRXRSSA-N 1 2 417.937 2.482 20 0 HEADLO O=C(NCC[N@H+]1CCc2c(Cl)cccc2C1)N[C@@H](CO)C[C@H](O)c1ccccc1 ZINC000785944343 1080310115 /nfs/dbraw/zinc/31/01/15/1080310115.db2.gz ATSFGZDOWBAJSH-NQIIRXRSSA-N 1 2 417.937 2.482 20 0 HEADLO CN1CC[NH+](Cc2cccc(NC(=O)c3ccc(F)c(S(C)(=O)=O)c3)c2)CC1 ZINC000785948645 1080311360 /nfs/dbraw/zinc/31/13/60/1080311360.db2.gz JZPPHCVOUQGCFO-UHFFFAOYSA-N 1 2 405.495 2.229 20 0 HEADLO CCOC1CC(CNC(=O)c2cc(C)n(-c3cc(C)on3)c2C)([NH+]2CCOCC2)C1 ZINC000768081911 1080317101 /nfs/dbraw/zinc/31/71/01/1080317101.db2.gz QVCGMHXWTVLLNV-UHFFFAOYSA-N 1 2 416.522 2.390 20 0 HEADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2n[nH]c3c2CN(C(=O)OC(C)(C)C)CC3)C1 ZINC000768154507 1080373417 /nfs/dbraw/zinc/37/34/17/1080373417.db2.gz PNYAOVDFMMTPND-CQSZACIVSA-N 1 2 414.510 2.456 20 0 HEADLO Cc1cc(NC(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)n(-c2cc(C)ccn2)n1 ZINC000786093287 1080390159 /nfs/dbraw/zinc/39/01/59/1080390159.db2.gz VUURVFWXNBYCBV-UHFFFAOYSA-N 1 2 410.482 2.057 20 0 HEADLO O=C(NCc1cnc(N2CCOCC2)s1)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000786148890 1080424725 /nfs/dbraw/zinc/42/47/25/1080424725.db2.gz BIBWMTUTWTWEKV-SFHVURJKSA-N 1 2 404.511 2.400 20 0 HEADLO O=C(NCc1cnc(N2CCOCC2)s1)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000786148890 1080424730 /nfs/dbraw/zinc/42/47/30/1080424730.db2.gz BIBWMTUTWTWEKV-SFHVURJKSA-N 1 2 404.511 2.400 20 0 HEADLO COc1ccc(S(=O)(=O)CCC(=O)N2CCNc3[nH+]cc(C)cc32)cc1OC ZINC001169990556 1080466606 /nfs/dbraw/zinc/46/66/06/1080466606.db2.gz PJGRCURPRNAIIW-UHFFFAOYSA-N 1 2 405.476 2.030 20 0 HEADLO C[C@@H](OC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1)C(=O)NCC(=O)c1ccccc1 ZINC000786304858 1080546608 /nfs/dbraw/zinc/54/66/08/1080546608.db2.gz ZWFBCZOPSRSZCU-NQIIRXRSSA-N 1 2 424.497 2.208 20 0 HEADLO C[C@@H](OC(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1)C(=O)NCC(=O)c1ccccc1 ZINC000786304858 1080546613 /nfs/dbraw/zinc/54/66/13/1080546613.db2.gz ZWFBCZOPSRSZCU-NQIIRXRSSA-N 1 2 424.497 2.208 20 0 HEADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)C(=O)NCc2ccc(OCC(F)(F)F)cc2)C1 ZINC000786309879 1080556114 /nfs/dbraw/zinc/55/61/14/1080556114.db2.gz NQOBLBYKWZHBNF-OAHLLOKOSA-N 1 2 424.423 2.384 20 0 HEADLO CCc1ccc([C@]2(CC)NC(=O)N(C[NH+]3CCC(NC(=O)C4CC4)CC3)C2=O)cc1 ZINC000768483633 1080577822 /nfs/dbraw/zinc/57/78/22/1080577822.db2.gz PXCWZBVHXVUMBS-QHCPKHFHSA-N 1 2 412.534 2.354 20 0 HEADLO CCOc1ccc(C2=CC[N@H+](CN3C(=O)C[C@H](Cc4cnn(C)c4)C3=O)CC2)cc1 ZINC000768469778 1080587675 /nfs/dbraw/zinc/58/76/75/1080587675.db2.gz FSSKNFMYBOZTFA-FQEVSTJZSA-N 1 2 408.502 2.483 20 0 HEADLO CCOc1ccc(C2=CC[N@@H+](CN3C(=O)C[C@H](Cc4cnn(C)c4)C3=O)CC2)cc1 ZINC000768469778 1080587683 /nfs/dbraw/zinc/58/76/83/1080587683.db2.gz FSSKNFMYBOZTFA-FQEVSTJZSA-N 1 2 408.502 2.483 20 0 HEADLO C[N@@H+]1CCN(C(=O)NC[C@]2(C)CCO[C@@H]2C2CC2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000768527818 1080612833 /nfs/dbraw/zinc/61/28/33/1080612833.db2.gz GDUKNQIBKFKPIQ-LZJOCLMNSA-N 1 2 410.559 2.042 20 0 HEADLO C[N@H+]1CCN(C(=O)NC[C@]2(C)CCO[C@@H]2C2CC2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000768527818 1080612840 /nfs/dbraw/zinc/61/28/40/1080612840.db2.gz GDUKNQIBKFKPIQ-LZJOCLMNSA-N 1 2 410.559 2.042 20 0 HEADLO CCOC(=O)c1ccc(Br)c(S(=O)(=O)N2C[C@H](C)[N@H+](C)C[C@@H]2C)c1 ZINC000768562572 1080632239 /nfs/dbraw/zinc/63/22/39/1080632239.db2.gz OPUZDMJCBZSPRN-RYUDHWBXSA-N 1 2 419.341 2.339 20 0 HEADLO CCOC(=O)c1ccc(Br)c(S(=O)(=O)N2C[C@H](C)[N@@H+](C)C[C@@H]2C)c1 ZINC000768562572 1080632247 /nfs/dbraw/zinc/63/22/47/1080632247.db2.gz OPUZDMJCBZSPRN-RYUDHWBXSA-N 1 2 419.341 2.339 20 0 HEADLO O=C(COC(=O)c1csc(NC2CC2)n1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000768654864 1080701921 /nfs/dbraw/zinc/70/19/21/1080701921.db2.gz BVAADMGFJKTNEE-UHFFFAOYSA-N 1 2 406.533 2.280 20 0 HEADLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)CN1C(=O)c2ccccc2N2C(=O)CC[C@]21C ZINC000746593319 1080707368 /nfs/dbraw/zinc/70/73/68/1080707368.db2.gz FGSPZGWOOFSOGG-JPYJTQIMSA-N 1 2 423.517 2.413 20 0 HEADLO C[N@@H+]1CC[C@@H](NC(=O)C(=O)NCc2ccc(Cl)nc2)[C@H]1c1ccc(F)c(F)c1 ZINC000786628591 1080724707 /nfs/dbraw/zinc/72/47/07/1080724707.db2.gz ILCQQUMEAOGPKG-NVXWUHKLSA-N 1 2 408.836 2.191 20 0 HEADLO C[N@H+]1CC[C@@H](NC(=O)C(=O)NCc2ccc(Cl)nc2)[C@H]1c1ccc(F)c(F)c1 ZINC000786628591 1080724720 /nfs/dbraw/zinc/72/47/20/1080724720.db2.gz ILCQQUMEAOGPKG-NVXWUHKLSA-N 1 2 408.836 2.191 20 0 HEADLO CN(CC[N@H+](C)CC(=O)N1CCN(Cc2ccsc2)CC1)C(=O)OC(C)(C)C ZINC000768744677 1080768945 /nfs/dbraw/zinc/76/89/45/1080768945.db2.gz TVECRNVUZNELGS-UHFFFAOYSA-N 1 2 410.584 2.191 20 0 HEADLO CN(CC[N@@H+](C)CC(=O)N1CCN(Cc2ccsc2)CC1)C(=O)OC(C)(C)C ZINC000768744677 1080768951 /nfs/dbraw/zinc/76/89/51/1080768951.db2.gz TVECRNVUZNELGS-UHFFFAOYSA-N 1 2 410.584 2.191 20 0 HEADLO CCCCCCOc1cccc(C[NH+]2CCN(C(=O)CN3C(=O)CCC3=O)CC2)c1 ZINC000768919821 1080857560 /nfs/dbraw/zinc/85/75/60/1080857560.db2.gz WSDLLKVLMMHESI-UHFFFAOYSA-N 1 2 415.534 2.439 20 0 HEADLO COCCOc1ccccc1C[N@H+](C)CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000768993636 1080878577 /nfs/dbraw/zinc/87/85/77/1080878577.db2.gz YBIZGTDXWUTCDZ-UHFFFAOYSA-N 1 2 421.538 2.223 20 0 HEADLO COCCOc1ccccc1C[N@@H+](C)CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000768993636 1080878579 /nfs/dbraw/zinc/87/85/79/1080878579.db2.gz YBIZGTDXWUTCDZ-UHFFFAOYSA-N 1 2 421.538 2.223 20 0 HEADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCC(CNC(=O)OCc2ccccc2)CC1 ZINC000786925375 1080897079 /nfs/dbraw/zinc/89/70/79/1080897079.db2.gz GQQVFSAAMBICLW-SFHVURJKSA-N 1 2 418.538 2.055 20 0 HEADLO O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)OCc1ccccc1OC(F)F ZINC000786997552 1080908139 /nfs/dbraw/zinc/90/81/39/1080908139.db2.gz IBZHNZSHZUEBBZ-KRWDZBQOSA-N 1 2 412.433 2.045 20 0 HEADLO O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)OCc1cc(-c2ccccc2)on1 ZINC000786996840 1080909593 /nfs/dbraw/zinc/90/95/93/1080909593.db2.gz MMXDHWPQGJYMMV-IBGZPJMESA-N 1 2 413.474 2.098 20 0 HEADLO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)c2cc(Br)cnc2Cl)CC1 ZINC000746621560 1080944722 /nfs/dbraw/zinc/94/47/22/1080944722.db2.gz YNDGQKQEGKHKQU-SNVBAGLBSA-N 1 2 404.692 2.207 20 0 HEADLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)C(=O)NCCc2ccc(Br)cc2)C1 ZINC000787047859 1080971309 /nfs/dbraw/zinc/97/13/09/1080971309.db2.gz WWJGJMDRBVGKNJ-HNNXBMFYSA-N 1 2 419.323 2.248 20 0 HEADLO C[C@@H]1C[N@H+](CCNC(=O)[C@H]2c3ccccc3CCN2C(=O)OC(C)(C)C)CCO1 ZINC000769163535 1080980752 /nfs/dbraw/zinc/98/07/52/1080980752.db2.gz BSRQHMODFFJPQF-VQIMIIECSA-N 1 2 403.523 2.358 20 0 HEADLO C[C@@H]1C[N@@H+](CCNC(=O)[C@H]2c3ccccc3CCN2C(=O)OC(C)(C)C)CCO1 ZINC000769163535 1080980768 /nfs/dbraw/zinc/98/07/68/1080980768.db2.gz BSRQHMODFFJPQF-VQIMIIECSA-N 1 2 403.523 2.358 20 0 HEADLO C[C@H]1C[N@H+](CCNC(=O)[C@H]2c3ccccc3CCN2C(=O)OC(C)(C)C)CCO1 ZINC000769163533 1080980976 /nfs/dbraw/zinc/98/09/76/1080980976.db2.gz BSRQHMODFFJPQF-QFBILLFUSA-N 1 2 403.523 2.358 20 0 HEADLO C[C@H]1C[N@@H+](CCNC(=O)[C@H]2c3ccccc3CCN2C(=O)OC(C)(C)C)CCO1 ZINC000769163533 1080980985 /nfs/dbraw/zinc/98/09/85/1080980985.db2.gz BSRQHMODFFJPQF-QFBILLFUSA-N 1 2 403.523 2.358 20 0 HEADLO CC(=O)Nc1cccc([C@H](C)NC(=O)C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000787079775 1080983057 /nfs/dbraw/zinc/98/30/57/1080983057.db2.gz GMMWQPJZOVGEAG-HNNXBMFYSA-N 1 2 405.458 2.324 20 0 HEADLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)C(=O)NCc2cccc(NC(=O)C3CCC3)c2)C1 ZINC000787079881 1080984573 /nfs/dbraw/zinc/98/45/73/1080984573.db2.gz HECXPAOKPMSCGN-SFHVURJKSA-N 1 2 423.517 2.181 20 0 HEADLO COC(=O)c1cc(OC)ccc1NC(=O)C[NH+]1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000769174956 1080989655 /nfs/dbraw/zinc/98/96/55/1080989655.db2.gz YYESNPRYGCDWEZ-UHFFFAOYSA-N 1 2 421.494 2.409 20 0 HEADLO CC(C)(C)OC(=O)c1ccccc1OCC[NH+]1CCN(CC(=O)N2CCCC2)CC1 ZINC000769207587 1081002421 /nfs/dbraw/zinc/00/24/21/1081002421.db2.gz XDVGWTROGYVDFA-UHFFFAOYSA-N 1 2 417.550 2.261 20 0 HEADLO Cc1ccc(N(C(=O)C[NH2+][C@H](CCO)c2ccco2)[C@@H]2C=CS(=O)(=O)C2)cc1C ZINC000769221020 1081006307 /nfs/dbraw/zinc/00/63/07/1081006307.db2.gz LDEPEVFUZMOPPU-RTBURBONSA-N 1 2 418.515 2.253 20 0 HEADLO COc1ccc(OC)c(NC(=O)N2CC[N@H+](C)C[C@@H]2CNC(=O)OC(C)(C)C)c1 ZINC000769229389 1081009788 /nfs/dbraw/zinc/00/97/88/1081009788.db2.gz CTAWFLAVHQOTJN-AWEZNQCLSA-N 1 2 408.499 2.376 20 0 HEADLO COc1ccc(OC)c(NC(=O)N2CC[N@@H+](C)C[C@@H]2CNC(=O)OC(C)(C)C)c1 ZINC000769229389 1081009795 /nfs/dbraw/zinc/00/97/95/1081009795.db2.gz CTAWFLAVHQOTJN-AWEZNQCLSA-N 1 2 408.499 2.376 20 0 HEADLO CC(C)(C)OC(=O)NC1CC[NH+](CC(=O)Nc2ccc3c(c2)NC(=O)CC3)CC1 ZINC000769231604 1081010528 /nfs/dbraw/zinc/01/05/28/1081010528.db2.gz ZBCSUKZIXCDDKD-UHFFFAOYSA-N 1 2 402.495 2.499 20 0 HEADLO CC(=O)N(C)c1cccc(NC(=O)N2CC[N@H+](C)C[C@@H]2CNC(=O)OC(C)(C)C)c1 ZINC000769236021 1081011588 /nfs/dbraw/zinc/01/15/88/1081011588.db2.gz AASYRMCTDLFTSU-SFHVURJKSA-N 1 2 419.526 2.342 20 0 HEADLO CC(=O)N(C)c1cccc(NC(=O)N2CC[N@@H+](C)C[C@@H]2CNC(=O)OC(C)(C)C)c1 ZINC000769236021 1081011600 /nfs/dbraw/zinc/01/16/00/1081011600.db2.gz AASYRMCTDLFTSU-SFHVURJKSA-N 1 2 419.526 2.342 20 0 HEADLO COC(=O)c1ccc(F)c(NC(=O)N2CC[N@H+](C)C[C@H]2CNC(=O)OC(C)(C)C)c1 ZINC000769240608 1081013051 /nfs/dbraw/zinc/01/30/51/1081013051.db2.gz YSKSTLCRXYEQEF-CQSZACIVSA-N 1 2 424.473 2.285 20 0 HEADLO COC(=O)c1ccc(F)c(NC(=O)N2CC[N@@H+](C)C[C@H]2CNC(=O)OC(C)(C)C)c1 ZINC000769240608 1081013062 /nfs/dbraw/zinc/01/30/62/1081013062.db2.gz YSKSTLCRXYEQEF-CQSZACIVSA-N 1 2 424.473 2.285 20 0 HEADLO CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCN(Cc3nc(N)c4ccccc4n3)CC2)C1 ZINC000769286297 1081014054 /nfs/dbraw/zinc/01/40/54/1081014054.db2.gz NMCUQDNKRPTYBI-INIZCTEOSA-N 1 2 412.538 2.339 20 0 HEADLO C[C@H](C(=O)N1CCCCCC1)[NH+]1CCN([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000769298335 1081033564 /nfs/dbraw/zinc/03/35/64/1081033564.db2.gz IYFORPWRWNQLSZ-MOPGFXCFSA-N 1 2 408.587 2.405 20 0 HEADLO C[C@H](C(=O)N1CCCCCC1)N1CC[NH+]([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000769298335 1081033573 /nfs/dbraw/zinc/03/35/73/1081033573.db2.gz IYFORPWRWNQLSZ-MOPGFXCFSA-N 1 2 408.587 2.405 20 0 HEADLO Cc1cccnc1C(F)(F)C(=O)OCC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000787207168 1081062428 /nfs/dbraw/zinc/06/24/28/1081062428.db2.gz HBOOPYLWOSAENR-UHFFFAOYSA-N 1 2 419.428 2.496 20 0 HEADLO COC(=O)[C@@H]1CC[N@H+](Cn2nc(N3CCCCC3)n(C[C@H]3CCCO3)c2=S)[C@@H]1C ZINC000787242657 1081066930 /nfs/dbraw/zinc/06/69/30/1081066930.db2.gz JONDBBNXXCGJOU-BRWVUGGUSA-N 1 2 423.583 2.424 20 0 HEADLO COC(=O)[C@@H]1CC[N@@H+](Cn2nc(N3CCCCC3)n(C[C@H]3CCCO3)c2=S)[C@@H]1C ZINC000787242657 1081066935 /nfs/dbraw/zinc/06/69/35/1081066935.db2.gz JONDBBNXXCGJOU-BRWVUGGUSA-N 1 2 423.583 2.424 20 0 HEADLO C[S@](=O)CC[NH+]1CCN(Cc2nc(-c3cccc(Br)c3)c[nH]2)CC1 ZINC000769479962 1081077597 /nfs/dbraw/zinc/07/75/97/1081077597.db2.gz LGCPQUHRBGBCQF-DEOSSOPVSA-N 1 2 411.369 2.335 20 0 HEADLO CCOc1cc(C[N@@H+]2CCN3C(=O)OC[C@H]3C2)ccc1OCC(=O)N1CCCCC1 ZINC000769483847 1081079010 /nfs/dbraw/zinc/07/90/10/1081079010.db2.gz OYIRBBDGXVKCGC-GOSISDBHSA-N 1 2 417.506 2.113 20 0 HEADLO CCOc1cc(C[N@H+]2CCN3C(=O)OC[C@H]3C2)ccc1OCC(=O)N1CCCCC1 ZINC000769483847 1081079015 /nfs/dbraw/zinc/07/90/15/1081079015.db2.gz OYIRBBDGXVKCGC-GOSISDBHSA-N 1 2 417.506 2.113 20 0 HEADLO O=C(COC(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F)NC(=O)c1ccccc1 ZINC000787229068 1081079725 /nfs/dbraw/zinc/07/97/25/1081079725.db2.gz ZKUWRIWSSRXFFJ-UHFFFAOYSA-N 1 2 400.341 2.318 20 0 HEADLO C[S@](=O)CC[NH+]1CCN(Cc2cn(-c3ccc(Cl)cc3Cl)nn2)CC1 ZINC000769478981 1081093257 /nfs/dbraw/zinc/09/32/57/1081093257.db2.gz GWWPJTGDABYZHZ-VWLOTQADSA-N 1 2 402.351 2.070 20 0 HEADLO C[S@](=O)CC[NH+]1CCN(Cc2cc(Cl)ccc2OC[C@H]2CCCO2)CC1 ZINC000769478628 1081093306 /nfs/dbraw/zinc/09/33/06/1081093306.db2.gz DZUBYOJKGUJHMD-DWXRJYCRSA-N 1 2 400.972 2.394 20 0 HEADLO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[N@@H+]1CC[C@H](C2CCOCC2)C1 ZINC000769518790 1081105548 /nfs/dbraw/zinc/10/55/48/1081105548.db2.gz DETTXEXQKLWHDE-HOTGVXAUSA-N 1 2 401.960 2.453 20 0 HEADLO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[N@H+]1CC[C@H](C2CCOCC2)C1 ZINC000769518790 1081105552 /nfs/dbraw/zinc/10/55/52/1081105552.db2.gz DETTXEXQKLWHDE-HOTGVXAUSA-N 1 2 401.960 2.453 20 0 HEADLO CN(C)C(=O)COc1ccc(C(F)(F)C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000769576300 1081131215 /nfs/dbraw/zinc/13/12/15/1081131215.db2.gz KLKGGSISIGEQAE-CQSZACIVSA-N 1 2 406.433 2.375 20 0 HEADLO NC(=O)c1cc(Cl)nc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)n1 ZINC001164674487 719501764 /nfs/dbraw/zinc/50/17/64/719501764.db2.gz YHNWONGFWOLALI-UHFFFAOYSA-N 1 2 419.888 2.239 20 0 HEADLO NC(=O)c1cc(Cl)nc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)n1 ZINC001164674487 719501770 /nfs/dbraw/zinc/50/17/70/719501770.db2.gz YHNWONGFWOLALI-UHFFFAOYSA-N 1 2 419.888 2.239 20 0 HEADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc(-c2cccs2)nn1 ZINC001164701519 719860292 /nfs/dbraw/zinc/86/02/92/719860292.db2.gz LADDNYQKFOECDI-QRWLVFNGSA-N 1 2 402.520 2.438 20 0 HEADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc(-c2ccncc2)nc(C)n1 ZINC001164706118 719872181 /nfs/dbraw/zinc/87/21/81/719872181.db2.gz OUEICQLZSDPIOI-PGRDOPGGSA-N 1 2 411.506 2.080 20 0 HEADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nnc(Cl)cc4F)CC3)C2=O)cs1 ZINC001164820360 720369995 /nfs/dbraw/zinc/36/99/95/720369995.db2.gz OOPQMKCPKJKLQO-UHFFFAOYSA-N 1 2 424.933 2.347 20 0 HEADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nnc(Cl)cc4F)CC3)C2=O)cs1 ZINC001164820360 720370005 /nfs/dbraw/zinc/37/00/05/720370005.db2.gz OOPQMKCPKJKLQO-UHFFFAOYSA-N 1 2 424.933 2.347 20 0 HEADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ccc(Cl)c[n+]4[O-])CC3)C2=O)cs1 ZINC001164821150 720377601 /nfs/dbraw/zinc/37/76/01/720377601.db2.gz XZJWSWSSAPJCLI-UHFFFAOYSA-N 1 2 421.954 2.052 20 0 HEADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ccc(Cl)c[n+]4[O-])CC3)C2=O)cs1 ZINC001164821150 720377604 /nfs/dbraw/zinc/37/76/04/720377604.db2.gz XZJWSWSSAPJCLI-UHFFFAOYSA-N 1 2 421.954 2.052 20 0 HEADLO CCc1nc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CCN3C)cc(C)[nH+]1 ZINC001164820755 720380141 /nfs/dbraw/zinc/38/01/41/720380141.db2.gz TWZPDTRBWYDROY-UHFFFAOYSA-N 1 2 414.579 2.426 20 0 HEADLO CSc1cncc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)n1 ZINC001164820401 720382294 /nfs/dbraw/zinc/38/22/94/720382294.db2.gz APUHMDOWKJVGDA-UHFFFAOYSA-N 1 2 418.592 2.277 20 0 HEADLO CSc1cncc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)n1 ZINC001164820401 720382300 /nfs/dbraw/zinc/38/23/00/720382300.db2.gz APUHMDOWKJVGDA-UHFFFAOYSA-N 1 2 418.592 2.277 20 0 HEADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ccc(Cl)c(N)n4)CC3)C2=O)cs1 ZINC001164827171 720384948 /nfs/dbraw/zinc/38/49/48/720384948.db2.gz ZTFYKISREHINTA-UHFFFAOYSA-N 1 2 420.970 2.395 20 0 HEADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ccc(Cl)c(N)n4)CC3)C2=O)cs1 ZINC001164827171 720384952 /nfs/dbraw/zinc/38/49/52/720384952.db2.gz ZTFYKISREHINTA-UHFFFAOYSA-N 1 2 420.970 2.395 20 0 HEADLO CCCCc1cc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)ncn1 ZINC001164835535 720477984 /nfs/dbraw/zinc/47/79/84/720477984.db2.gz ZELZFBDWWUEOBX-GOSISDBHSA-N 1 2 414.554 2.005 20 0 HEADLO Nc1cc(Cl)ncc1C(F)(F)N1CCCn2c(=O)cc(Cn3cc[nH+]c3)nc2C1 ZINC001164860948 720895949 /nfs/dbraw/zinc/89/59/49/720895949.db2.gz WOHHJEGNORNHKG-UHFFFAOYSA-N 1 2 421.839 2.074 20 0 HEADLO CN1CCc2nc(Cl)nc(N3Cc4c[nH+]cn4C[C@H](COCC4CC4)C3)c2C1 ZINC001164755824 720982643 /nfs/dbraw/zinc/98/26/43/720982643.db2.gz CDHGEEGWYYMQNS-OAHLLOKOSA-N 1 2 402.930 2.377 20 0 HEADLO c1[nH+]cn2c1CN(c1ccc(CN3CCOCC3)cn1)C[C@@H](COc1cccnc1)C2 ZINC001164766092 721272301 /nfs/dbraw/zinc/27/23/01/721272301.db2.gz MUTSGAZCXGOGDT-HXUWFJFHSA-N 1 2 420.517 2.221 20 0 HEADLO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4nc5nc[nH]c5cc4Cl)C3)O2)CC1 ZINC001164890358 721420477 /nfs/dbraw/zinc/42/04/77/721420477.db2.gz SFJKTDVITCOQLZ-FOIQADDNSA-N 1 2 404.946 2.377 20 0 HEADLO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4nc5[nH]cnc5cc4Cl)C3)O2)CC1 ZINC001164890358 721420480 /nfs/dbraw/zinc/42/04/80/721420480.db2.gz SFJKTDVITCOQLZ-FOIQADDNSA-N 1 2 404.946 2.377 20 0 HEADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1ncnc3cc4c(cc31)OCCO4)C2 ZINC001165010963 721698269 /nfs/dbraw/zinc/69/82/69/721698269.db2.gz YGPUHJIQDPLCTK-UHFFFAOYSA-N 1 2 409.494 2.243 20 0 HEADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1ncnc3cc4c(cc31)OCCO4)C2 ZINC001165010963 721698271 /nfs/dbraw/zinc/69/82/71/721698271.db2.gz YGPUHJIQDPLCTK-UHFFFAOYSA-N 1 2 409.494 2.243 20 0 HEADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1nccc(C(=O)OC(C)(C)C)n1)C2 ZINC001165009524 721707378 /nfs/dbraw/zinc/70/73/78/721707378.db2.gz AECQLPZLWQWDPK-UHFFFAOYSA-N 1 2 401.515 2.274 20 0 HEADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1nccc(C(=O)OC(C)(C)C)n1)C2 ZINC001165009524 721707383 /nfs/dbraw/zinc/70/73/83/721707383.db2.gz AECQLPZLWQWDPK-UHFFFAOYSA-N 1 2 401.515 2.274 20 0 HEADLO c1coc(-c2cnc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)cn2)c1 ZINC001164912481 721779277 /nfs/dbraw/zinc/77/92/77/721779277.db2.gz MGKQJJHUMQBMEN-QFIPXVFZSA-N 1 2 407.474 2.239 20 0 HEADLO c1coc(-c2cnc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)cn2)c1 ZINC001164912481 721779278 /nfs/dbraw/zinc/77/92/78/721779278.db2.gz MGKQJJHUMQBMEN-QFIPXVFZSA-N 1 2 407.474 2.239 20 0 HEADLO COc1ccc(Cl)nc1N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164914862 721785918 /nfs/dbraw/zinc/78/59/18/721785918.db2.gz GMIJYTDDSUUSEA-FQEVSTJZSA-N 1 2 404.898 2.246 20 0 HEADLO COc1ccc(Cl)nc1N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164914862 721785921 /nfs/dbraw/zinc/78/59/21/721785921.db2.gz GMIJYTDDSUUSEA-FQEVSTJZSA-N 1 2 404.898 2.246 20 0 HEADLO CSc1ncc(Cl)nc1N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164917019 721792653 /nfs/dbraw/zinc/79/26/53/721792653.db2.gz VQUWOBBKXQVVMV-LJQANCHMSA-N 1 2 421.954 2.355 20 0 HEADLO CSc1ncc(Cl)nc1N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164917019 721792655 /nfs/dbraw/zinc/79/26/55/721792655.db2.gz VQUWOBBKXQVVMV-LJQANCHMSA-N 1 2 421.954 2.355 20 0 HEADLO CCc1cc(Cl)nc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164915030 721800054 /nfs/dbraw/zinc/80/00/54/721800054.db2.gz UIGGLPQDSKLFCR-FQEVSTJZSA-N 1 2 403.914 2.195 20 0 HEADLO CCc1cc(Cl)nc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164915030 721800056 /nfs/dbraw/zinc/80/00/56/721800056.db2.gz UIGGLPQDSKLFCR-FQEVSTJZSA-N 1 2 403.914 2.195 20 0 HEADLO c1csc(-c2nccc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)n2)n1 ZINC001164915726 721801027 /nfs/dbraw/zinc/80/10/27/721801027.db2.gz YYWNEVOJMHNYNN-NRFANRHFSA-N 1 2 424.530 2.103 20 0 HEADLO c1csc(-c2nccc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)n2)n1 ZINC001164915726 721801028 /nfs/dbraw/zinc/80/10/28/721801028.db2.gz YYWNEVOJMHNYNN-NRFANRHFSA-N 1 2 424.530 2.103 20 0 HEADLO CCOC(=O)c1nnc(Cl)cc1N1CCC2(CC1)c1[nH+]cc(C)n1CCN2C ZINC001164916790 721814836 /nfs/dbraw/zinc/81/48/36/721814836.db2.gz GROQCJXKXNUFAP-UHFFFAOYSA-N 1 2 404.902 2.253 20 0 HEADLO Cc1nc(CN2CCOC[C@@]3(CN(c4nc(C)[nH+]c(C)c4C)CCO3)C2)cs1 ZINC001164920619 721833012 /nfs/dbraw/zinc/83/30/12/721833012.db2.gz GFJDPOJUDWZLOO-FQEVSTJZSA-N 1 2 403.552 2.275 20 0 HEADLO COC(=O)C[C@@H]1CCCC[N@@H+]1CN1C(=O)C(=O)N(C23CC4CC(CC(C4)C2)C3)C1=O ZINC000745438558 1078480548 /nfs/dbraw/zinc/48/05/48/1078480548.db2.gz VQHNVVDRXAYHKC-ATFGOMPUSA-N 1 2 417.506 2.121 20 0 HEADLO COC(=O)C[C@@H]1CCCC[N@H+]1CN1C(=O)C(=O)N(C23CC4CC(CC(C4)C2)C3)C1=O ZINC000745438558 1078480554 /nfs/dbraw/zinc/48/05/54/1078480554.db2.gz VQHNVVDRXAYHKC-ATFGOMPUSA-N 1 2 417.506 2.121 20 0 HEADLO COCCCn1c(=O)c2ccc(C(=O)N[C@H]3CCC[N@@H+](C(C)C)C3)cc2[nH]c1=S ZINC000769662902 1078502128 /nfs/dbraw/zinc/50/21/28/1078502128.db2.gz RMGVWPXBQBHEPM-INIZCTEOSA-N 1 2 418.563 2.324 20 0 HEADLO COCCCn1c(=O)c2ccc(C(=O)N[C@H]3CCC[N@H+](C(C)C)C3)cc2[nH]c1=S ZINC000769662902 1078502137 /nfs/dbraw/zinc/50/21/37/1078502137.db2.gz RMGVWPXBQBHEPM-INIZCTEOSA-N 1 2 418.563 2.324 20 0 HEADLO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCC[N@H+](Cc2nnnn2CC2CCOCC2)C1 ZINC000769752582 1078540640 /nfs/dbraw/zinc/54/06/40/1078540640.db2.gz AVLYOHIWTKWTRD-WBVHZDCISA-N 1 2 408.547 2.225 20 0 HEADLO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCC[N@@H+](Cc2nnnn2CC2CCOCC2)C1 ZINC000769752582 1078540646 /nfs/dbraw/zinc/54/06/46/1078540646.db2.gz AVLYOHIWTKWTRD-WBVHZDCISA-N 1 2 408.547 2.225 20 0 HEADLO O=C(C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1OC[C@@H]3CCC[C@@H]31)C2)NCC1CCCCC1 ZINC001109535196 1078592261 /nfs/dbraw/zinc/59/22/61/1078592261.db2.gz DSMJTOAOJFAPOU-LQQQPERYSA-N 1 2 403.567 2.220 20 0 HEADLO O=C(C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1OC[C@@H]3CCC[C@@H]31)C2)NCC1CCCCC1 ZINC001109535196 1078592267 /nfs/dbraw/zinc/59/22/67/1078592267.db2.gz DSMJTOAOJFAPOU-LQQQPERYSA-N 1 2 403.567 2.220 20 0 HEADLO Cn1c(CO)nn(CN2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)c1=S ZINC000769837040 1078599304 /nfs/dbraw/zinc/59/93/04/1078599304.db2.gz UHVUXTFTEYUDFN-UHFFFAOYSA-N 1 2 401.458 2.237 20 0 HEADLO O=C(C[N@H+]1CCC[C@@H]([C@H](O)C(F)(F)F)C1)Nc1ccc(N2CCOCC2)cc1 ZINC000769895885 1078619082 /nfs/dbraw/zinc/61/90/82/1078619082.db2.gz DKECVSJVGKSFLA-KDOFPFPSSA-N 1 2 401.429 2.097 20 0 HEADLO O=C(C[N@@H+]1CCC[C@@H]([C@H](O)C(F)(F)F)C1)Nc1ccc(N2CCOCC2)cc1 ZINC000769895885 1078619088 /nfs/dbraw/zinc/61/90/88/1078619088.db2.gz DKECVSJVGKSFLA-KDOFPFPSSA-N 1 2 401.429 2.097 20 0 HEADLO C[C@H]1C[N@H+](CCNC(=O)NC[C@H](NC(=O)OC(C)(C)C)c2ccccc2)CCO1 ZINC000745794277 1078650519 /nfs/dbraw/zinc/65/05/19/1078650519.db2.gz YGVQXMABUHSJNO-WMZOPIPTSA-N 1 2 406.527 2.272 20 0 HEADLO C[C@H]1C[N@@H+](CCNC(=O)NC[C@H](NC(=O)OC(C)(C)C)c2ccccc2)CCO1 ZINC000745794277 1078650522 /nfs/dbraw/zinc/65/05/22/1078650522.db2.gz YGVQXMABUHSJNO-WMZOPIPTSA-N 1 2 406.527 2.272 20 0 HEADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC000745803255 1078653985 /nfs/dbraw/zinc/65/39/85/1078653985.db2.gz RFVQYGWQPXVZMD-AEFFLSMTSA-N 1 2 406.527 2.272 20 0 HEADLO C[C@@H]1COCC[N@H+]1CCNC(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC000745803255 1078653988 /nfs/dbraw/zinc/65/39/88/1078653988.db2.gz RFVQYGWQPXVZMD-AEFFLSMTSA-N 1 2 406.527 2.272 20 0 HEADLO CCOC(=O)N1CCN(C(=O)[C@H](C)N2CC[NH+]([C@@H](C)c3cccc(F)c3)CC2)CC1 ZINC000769927993 1078662251 /nfs/dbraw/zinc/66/22/51/1078662251.db2.gz HSDMCMSPZWTOOT-ROUUACIJSA-N 1 2 420.529 2.194 20 0 HEADLO CCOC(=O)N1CCN(C(=O)[C@H](C)[NH+]2CCN([C@@H](C)c3cccc(F)c3)CC2)CC1 ZINC000769927993 1078662255 /nfs/dbraw/zinc/66/22/55/1078662255.db2.gz HSDMCMSPZWTOOT-ROUUACIJSA-N 1 2 420.529 2.194 20 0 HEADLO CC[C@H](c1ccncc1)[N@H+](C)CC(=O)NN1C(=O)N[C@](CC)(c2ccccc2)C1=O ZINC000769935887 1078664359 /nfs/dbraw/zinc/66/43/59/1078664359.db2.gz DDRGNLSKWDZLCG-XMSQKQJNSA-N 1 2 409.490 2.353 20 0 HEADLO CC[C@H](c1ccncc1)[N@@H+](C)CC(=O)NN1C(=O)N[C@](CC)(c2ccccc2)C1=O ZINC000769935887 1078664362 /nfs/dbraw/zinc/66/43/62/1078664362.db2.gz DDRGNLSKWDZLCG-XMSQKQJNSA-N 1 2 409.490 2.353 20 0 HEADLO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000745870138 1078668616 /nfs/dbraw/zinc/66/86/16/1078668616.db2.gz PRMRLFBMYKRIFM-HZPDHXFCSA-N 1 2 410.584 2.184 20 0 HEADLO Cn1ccnc1[C@@H](O)[C@@H]1CCCN(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000769980879 1078672634 /nfs/dbraw/zinc/67/26/34/1078672634.db2.gz VSVBXDQZUYALCA-APWZRJJASA-N 1 2 412.469 2.400 20 0 HEADLO NC(=O)[C@@H]1CC(C(=O)Nc2ccccc2OCCn2cc[nH+]c2)=NN1c1ccccc1 ZINC000745861865 1078677745 /nfs/dbraw/zinc/67/77/45/1078677745.db2.gz PUPKPQBWEKCHLE-IBGZPJMESA-N 1 2 418.457 2.021 20 0 HEADLO CN(C)C(=O)c1cccc(NC(=O)C[N@H+](C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1 ZINC000745991377 1078722938 /nfs/dbraw/zinc/72/29/38/1078722938.db2.gz PLHIGWPKZVMHLR-QGZVFWFLSA-N 1 2 404.511 2.268 20 0 HEADLO CN(C)C(=O)c1cccc(NC(=O)C[N@@H+](C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1 ZINC000745991377 1078722943 /nfs/dbraw/zinc/72/29/43/1078722943.db2.gz PLHIGWPKZVMHLR-QGZVFWFLSA-N 1 2 404.511 2.268 20 0 HEADLO CON(C)S(=O)(=O)c1ccc(NC(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)cc1 ZINC000770112712 1078734116 /nfs/dbraw/zinc/73/41/16/1078734116.db2.gz BHERWPCEVNKVLH-AWEZNQCLSA-N 1 2 407.496 2.014 20 0 HEADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)/C=C\c1ccc(NS(C)(=O)=O)cc1 ZINC000770211576 1078789039 /nfs/dbraw/zinc/78/90/39/1078789039.db2.gz DEETUKYQDQUPPY-YHYXMXQVSA-N 1 2 416.503 2.250 20 0 HEADLO CCOC1CC(CNC(=O)Nc2ccc(N3CCOC3=O)cc2)([NH+]2CCOCC2)C1 ZINC000770260328 1078794796 /nfs/dbraw/zinc/79/47/96/1078794796.db2.gz SLNOBEMWIUPVOF-UHFFFAOYSA-N 1 2 418.494 2.035 20 0 HEADLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)CC[S@](=O)c1ccc2c(c1)OCCO2 ZINC000746158217 1078809051 /nfs/dbraw/zinc/80/90/51/1078809051.db2.gz CHWRTIYXIQIEQR-JMQGSBJISA-N 1 2 405.520 2.383 20 0 HEADLO CC(C)(C)OC(=O)NC1(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)Cc2ccccc2C1 ZINC000746197658 1078816140 /nfs/dbraw/zinc/81/61/40/1078816140.db2.gz QYVGMBFRSAMUKJ-UHFFFAOYSA-N 1 2 417.550 2.276 20 0 HEADLO CC(C)(C)OC(=O)NC1(C(=O)NCC[N@H+]2CCOC(C)(C)C2)Cc2ccccc2C1 ZINC000746197658 1078816144 /nfs/dbraw/zinc/81/61/44/1078816144.db2.gz QYVGMBFRSAMUKJ-UHFFFAOYSA-N 1 2 417.550 2.276 20 0 HEADLO CC(C)(C)OC(=O)N1CC(CC(=O)N[C@H](Cc2ccccc2)C[NH+]2CCOCC2)C1 ZINC000746248909 1078831518 /nfs/dbraw/zinc/83/15/18/1078831518.db2.gz DRJZOKZCAZFPHZ-HXUWFJFHSA-N 1 2 417.550 2.303 20 0 HEADLO O=C(C[NH+]1CCN(c2ccccn2)CC1)N1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1 ZINC000746257199 1078834088 /nfs/dbraw/zinc/83/40/88/1078834088.db2.gz ZGUBKIOQCCLRQW-RTWAWAEBSA-N 1 2 412.509 2.457 20 0 HEADLO Cc1[nH]ncc1C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000770380100 1078834328 /nfs/dbraw/zinc/83/43/28/1078834328.db2.gz LKUCJDJJBVSSHB-AEFFLSMTSA-N 1 2 405.543 2.446 20 0 HEADLO Cc1[nH]ncc1C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000770380100 1078834333 /nfs/dbraw/zinc/83/43/33/1078834333.db2.gz LKUCJDJJBVSSHB-AEFFLSMTSA-N 1 2 405.543 2.446 20 0 HEADLO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1Cc1cnc(N2CCN(C)CC2)nc1 ZINC000770383749 1078834907 /nfs/dbraw/zinc/83/49/07/1078834907.db2.gz WPZWJHSQQQRSEU-AEFFLSMTSA-N 1 2 404.559 2.106 20 0 HEADLO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@H+]1Cc1cnc(N2CCN(C)CC2)nc1 ZINC000770383749 1078834909 /nfs/dbraw/zinc/83/49/09/1078834909.db2.gz WPZWJHSQQQRSEU-AEFFLSMTSA-N 1 2 404.559 2.106 20 0 HEADLO COc1ccc(-c2noc(CN3CCN(C(=O)c4cccc5[nH+]ccn54)CC3)n2)cc1 ZINC000770402394 1078842677 /nfs/dbraw/zinc/84/26/77/1078842677.db2.gz WLFDSLLHNLFHNR-UHFFFAOYSA-N 1 2 418.457 2.351 20 0 HEADLO Cc1c(C(=O)N2CCC([N@H+](C)CC(F)F)CC2)nnn1-c1ccc2c(c1)OCCO2 ZINC000746322024 1078857950 /nfs/dbraw/zinc/85/79/50/1078857950.db2.gz CPPAOXRTGGLHEJ-UHFFFAOYSA-N 1 2 421.448 2.148 20 0 HEADLO Cc1c(C(=O)N2CCC([N@@H+](C)CC(F)F)CC2)nnn1-c1ccc2c(c1)OCCO2 ZINC000746322024 1078857952 /nfs/dbraw/zinc/85/79/52/1078857952.db2.gz CPPAOXRTGGLHEJ-UHFFFAOYSA-N 1 2 421.448 2.148 20 0 HEADLO CCC1CCC2(CC1)NC(=O)N(CC(=O)N1CCC([N@H+](C)CC(F)F)CC1)C2=O ZINC000746325437 1078859476 /nfs/dbraw/zinc/85/94/76/1078859476.db2.gz YFGZIYPUYSODJP-UHFFFAOYSA-N 1 2 414.497 2.065 20 0 HEADLO CCC1CCC2(CC1)NC(=O)N(CC(=O)N1CCC([N@@H+](C)CC(F)F)CC1)C2=O ZINC000746325437 1078859480 /nfs/dbraw/zinc/85/94/80/1078859480.db2.gz YFGZIYPUYSODJP-UHFFFAOYSA-N 1 2 414.497 2.065 20 0 HEADLO C[C@H]([C@H](C)NC(=O)N[C@@H](CNC(=O)OC(C)(C)C)C1CCCC1)[NH+]1CCOCC1 ZINC000770544587 1078891744 /nfs/dbraw/zinc/89/17/44/1078891744.db2.gz JEPHSFXBJCELSA-JZXOWHBKSA-N 1 2 412.575 2.478 20 0 HEADLO Cc1nc(NC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)sc1-c1ccccc1 ZINC000746391373 1078893176 /nfs/dbraw/zinc/89/31/76/1078893176.db2.gz DRZJQMQDMGZSOR-QGZVFWFLSA-N 1 2 414.531 2.238 20 0 HEADLO COC(=O)c1c(F)ccc(S(=O)(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)c1F ZINC000746401541 1078899809 /nfs/dbraw/zinc/89/98/09/1078899809.db2.gz XWAKZSDGEMUCPY-ZDUSSCGKSA-N 1 2 414.430 2.460 20 0 HEADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)CCC(=O)N1CCOc2ccccc21 ZINC000770665670 1078925098 /nfs/dbraw/zinc/92/50/98/1078925098.db2.gz NAJOTZPVHGKPEF-UHFFFAOYSA-N 1 2 410.474 2.371 20 0 HEADLO CCOC1CC(CNC(=O)Nc2cccc(C(F)(F)F)n2)([NH+]2CCOCC2)C1 ZINC000770673944 1078928235 /nfs/dbraw/zinc/92/82/35/1078928235.db2.gz JIYQJUOVJVQSCM-UHFFFAOYSA-N 1 2 402.417 2.492 20 0 HEADLO O=C(COc1ccc(Br)nc1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000766379295 1078929387 /nfs/dbraw/zinc/92/93/87/1078929387.db2.gz MEUBHFMZHVHGFC-UHFFFAOYSA-N 1 2 420.307 2.372 20 0 HEADLO O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)c1ccc(S[C@H]2CCOC2=O)cc1 ZINC000770654938 1078941034 /nfs/dbraw/zinc/94/10/34/1078941034.db2.gz GKHJZLMEWSXSEF-PXNSSMCTSA-N 1 2 422.572 2.032 20 0 HEADLO COC(=O)c1cc(S(=O)(=O)N2CC[N@H+](C)[C@@H](C)[C@H]2C)c(F)cc1Br ZINC000770716692 1078945633 /nfs/dbraw/zinc/94/56/33/1078945633.db2.gz KSKOPVSVBNNTJS-VHSXEESVSA-N 1 2 423.304 2.088 20 0 HEADLO COC(=O)c1cc(S(=O)(=O)N2CC[N@@H+](C)[C@@H](C)[C@H]2C)c(F)cc1Br ZINC000770716692 1078945634 /nfs/dbraw/zinc/94/56/34/1078945634.db2.gz KSKOPVSVBNNTJS-VHSXEESVSA-N 1 2 423.304 2.088 20 0 HEADLO O=C(OCc1ccccc1)N1CCC[C@@H](C(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)C1 ZINC000766415983 1078960305 /nfs/dbraw/zinc/96/03/05/1078960305.db2.gz ZVKHMHQOFQVXGB-NHCUHLMSSA-N 1 2 415.534 2.358 20 0 HEADLO CN(CC(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc(C(F)(F)F)cc1C=O ZINC000746446136 1078968122 /nfs/dbraw/zinc/96/81/22/1078968122.db2.gz DEJDPQKCQMSMIK-QGZVFWFLSA-N 1 2 413.440 2.277 20 0 HEADLO Cc1ccc(NC(=O)[C@H](C)N2CC[NH+](CC[S@](C)=O)CC2)c(Br)c1 ZINC000746471038 1079020277 /nfs/dbraw/zinc/02/02/77/1079020277.db2.gz UORUHBKYZUSJBC-BSEYFRJRSA-N 1 2 416.385 2.081 20 0 HEADLO C[C@@H]1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)N(C)Cc2ccccc2F)O1 ZINC001109738631 1079034818 /nfs/dbraw/zinc/03/48/18/1079034818.db2.gz WNPGZMZFWXSPII-WNBBLEAESA-N 1 2 403.498 2.073 20 0 HEADLO C[C@@H]1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)N(C)Cc2ccccc2F)O1 ZINC001109738631 1079034826 /nfs/dbraw/zinc/03/48/26/1079034826.db2.gz WNPGZMZFWXSPII-WNBBLEAESA-N 1 2 403.498 2.073 20 0 HEADLO CCOC1CC(CNC(=S)N[C@@H]2CCOc3ccccc32)([NH+]2CCOCC2)C1 ZINC000766523301 1079067985 /nfs/dbraw/zinc/06/79/85/1079067985.db2.gz WQWUSWVHFQJYHQ-NCYVPVAZSA-N 1 2 405.564 2.244 20 0 HEADLO COCC[N@H+](CCOc1ccccc1C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC001168924884 1079077199 /nfs/dbraw/zinc/07/71/99/1079077199.db2.gz JCJOIHZKROTWQD-MRXNPFEDSA-N 1 2 413.536 2.156 20 0 HEADLO COCC[N@@H+](CCOc1ccccc1C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC001168924884 1079077205 /nfs/dbraw/zinc/07/72/05/1079077205.db2.gz JCJOIHZKROTWQD-MRXNPFEDSA-N 1 2 413.536 2.156 20 0 HEADLO NC(=O)c1ccc(/C=C/C(=O)N2CCC[C@H]2C(=O)OCc2cccc3[nH+]ccn32)cc1 ZINC000770923174 1079082096 /nfs/dbraw/zinc/08/20/96/1079082096.db2.gz YLLNIXRXTAFJQZ-BLRBJFNZSA-N 1 2 418.453 2.181 20 0 HEADLO CC(C)(C)OC(=O)[C@H](C1CC1)[NH+]1CCN(c2ccc(NS(C)(=O)=O)cc2)CC1 ZINC001168948936 1079084081 /nfs/dbraw/zinc/08/40/81/1079084081.db2.gz JEEGQNDIGHJCTE-SFHVURJKSA-N 1 2 409.552 2.300 20 0 HEADLO CCCCNC(=O)CCN1CC[NH+]([C@H]2CCCN(Cc3ccccc3)C2=O)CC1 ZINC001169012949 1079099425 /nfs/dbraw/zinc/09/94/25/1079099425.db2.gz CBDFPGMGAOQALC-NRFANRHFSA-N 1 2 400.567 2.102 20 0 HEADLO COC(=O)Nc1cc(C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)cc(C(F)(F)F)c1 ZINC000771036726 1079111933 /nfs/dbraw/zinc/11/19/33/1079111933.db2.gz ZYNQBUZICSBQAP-OAHLLOKOSA-N 1 2 401.385 2.430 20 0 HEADLO CCOC(=O)[C@@H]([NH2+]C[C@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)O1)C1CCOCC1 ZINC001169065505 1079121611 /nfs/dbraw/zinc/12/16/11/1079121611.db2.gz PPKJTLTVDWBLCJ-SJORKVTESA-N 1 2 412.527 2.103 20 0 HEADLO O=C(CSc1cccc[n+]1[O-])NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000766585026 1079135084 /nfs/dbraw/zinc/13/50/84/1079135084.db2.gz WDIMRXQJZHFMIG-UHFFFAOYSA-N 1 2 406.939 2.004 20 0 HEADLO CCOC(=O)c1cnc2c(C)cc(F)cc2c1N1CC[NH+](CC[S@](C)=O)CC1 ZINC000771144217 1079192617 /nfs/dbraw/zinc/19/26/17/1079192617.db2.gz GAPSVNAPCSJOBQ-NDEPHWFRSA-N 1 2 407.511 2.360 20 0 HEADLO CC(C)NS(=O)(=O)c1cc(C(=O)N2CC[NH2+][C@@H](c3ccc(O)cc3)C2)ccc1F ZINC001169239468 1079208190 /nfs/dbraw/zinc/20/81/90/1079208190.db2.gz JBLRQGCJIWXJNW-GOSISDBHSA-N 1 2 421.494 2.005 20 0 HEADLO CCS(=O)(=O)C1CC[NH+](Cn2nc(Br)c(=O)c3ccccc32)CC1 ZINC000766666502 1079233476 /nfs/dbraw/zinc/23/34/76/1079233476.db2.gz NZWDIHCJPJCXGH-UHFFFAOYSA-N 1 2 414.325 2.016 20 0 HEADLO CCOC(=O)[C@H]1CC[C@H]([N@H+](Cc2cnn(CC)c2)Cc2c(C)nn(C)c2C)CO1 ZINC001169391953 1079261457 /nfs/dbraw/zinc/26/14/57/1079261457.db2.gz MEERQPMQBPUQBO-AZUAARDMSA-N 1 2 403.527 2.366 20 0 HEADLO CCOC(=O)[C@H]1CC[C@H]([N@@H+](Cc2cnn(CC)c2)Cc2c(C)nn(C)c2C)CO1 ZINC001169391953 1079261468 /nfs/dbraw/zinc/26/14/68/1079261468.db2.gz MEERQPMQBPUQBO-AZUAARDMSA-N 1 2 403.527 2.366 20 0 HEADLO COc1ccc(NC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)c2ncccc12 ZINC000771280219 1079266649 /nfs/dbraw/zinc/26/66/49/1079266649.db2.gz DTOXSFPZDCSMRK-UHFFFAOYSA-N 1 2 418.461 2.274 20 0 HEADLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)CCCNS(=O)(=O)c1ccc(F)cc1 ZINC000771296827 1079270228 /nfs/dbraw/zinc/27/02/28/1079270228.db2.gz UHONOVDHDYJGIM-KRWDZBQOSA-N 1 2 410.515 2.312 20 0 HEADLO O=C(OCc1ccccc1)[C@H]1CCC[NH2+][C@@H](Nc2nccc(N3CCOCC3)n2)C1 ZINC001169503980 1079315964 /nfs/dbraw/zinc/31/59/64/1079315964.db2.gz MHBLCSXUOQDRKA-OALUTQOASA-N 1 2 411.506 2.184 20 0 HEADLO CS(=O)(=O)c1ccnc(N[C@H]2C[C@H](C(=O)OCc3ccccc3)CCC[NH2+]2)c1 ZINC001169513097 1079318698 /nfs/dbraw/zinc/31/86/98/1079318698.db2.gz NYZBAZDPJROMFK-AEFFLSMTSA-N 1 2 403.504 2.356 20 0 HEADLO CCOC(=O)N1CC[C@H](NC(=O)N(Cc2ccccc2)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000771392974 1079319325 /nfs/dbraw/zinc/31/93/25/1079319325.db2.gz OAJFWKRNIYKUII-ICSRJNTNSA-N 1 2 418.538 2.150 20 0 HEADLO CCOC(=O)[C@H]1CCC[N@@H+]1C[C@@H](O)c1ccc2c(c1)CN(C(=O)C(F)(F)F)CC2 ZINC001169520357 1079321394 /nfs/dbraw/zinc/32/13/94/1079321394.db2.gz VYCRDXZUKXBDLD-IAGOWNOFSA-N 1 2 414.424 2.195 20 0 HEADLO CCOC(=O)[C@H]1CCC[N@H+]1C[C@@H](O)c1ccc2c(c1)CN(C(=O)C(F)(F)F)CC2 ZINC001169520357 1079321398 /nfs/dbraw/zinc/32/13/98/1079321398.db2.gz VYCRDXZUKXBDLD-IAGOWNOFSA-N 1 2 414.424 2.195 20 0 HEADLO CS(=O)(=O)c1cncc(N[C@H]2C[C@@H](C(=O)OCc3ccccc3)CCC[NH2+]2)c1 ZINC001169525422 1079323269 /nfs/dbraw/zinc/32/32/69/1079323269.db2.gz YPWSXWOLHLCPID-LPHOPBHVSA-N 1 2 403.504 2.356 20 0 HEADLO C[C@@H](C[NH+]1CCOCC1)OC(=O)[C@H]1CCN(c2ccccc2Br)C1=O ZINC000771480444 1079354151 /nfs/dbraw/zinc/35/41/51/1079354151.db2.gz BZLUWNYFLWRGKG-KBPBESRZSA-N 1 2 411.296 2.066 20 0 HEADLO CCOC(=O)N1CCC[C@H]([NH2+][C@H](C(=O)OC)C(C)(C)NC(=O)OC(C)(C)C)CC1 ZINC001169647170 1079354819 /nfs/dbraw/zinc/35/48/19/1079354819.db2.gz XCSQXNXOPUFFJV-LSDHHAIUSA-N 1 2 415.531 2.432 20 0 HEADLO CCOC(=O)N1CCC[C@@H]([NH2+][C@H](C(=O)OC)C(C)(C)NC(=O)OC(C)(C)C)CC1 ZINC001169647169 1079354879 /nfs/dbraw/zinc/35/48/79/1079354879.db2.gz XCSQXNXOPUFFJV-HUUCEWRRSA-N 1 2 415.531 2.432 20 0 HEADLO O=C(Cc1cccs1)Nc1nc(CC(=O)N[C@H]2CCc3c[nH+]cn3C2)cs1 ZINC000804334430 1079377465 /nfs/dbraw/zinc/37/74/65/1079377465.db2.gz GMUIWXJIZCTHMU-LBPRGKRZSA-N 1 2 401.517 2.256 20 0 HEADLO CCC[N@H+](CC(=O)N(C)Cc1cc(Cl)cc(Cl)c1)[C@@H]1CC(=O)N(C)C1=O ZINC001169674874 1079378844 /nfs/dbraw/zinc/37/88/44/1079378844.db2.gz FDIQNNHTYWWQHA-OAHLLOKOSA-N 1 2 400.306 2.421 20 0 HEADLO CCC[N@@H+](CC(=O)N(C)Cc1cc(Cl)cc(Cl)c1)[C@@H]1CC(=O)N(C)C1=O ZINC001169674874 1079378849 /nfs/dbraw/zinc/37/88/49/1079378849.db2.gz FDIQNNHTYWWQHA-OAHLLOKOSA-N 1 2 400.306 2.421 20 0 HEADLO O=C(Nc1cn2cc(Br)ncc2n1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000771587747 1079386148 /nfs/dbraw/zinc/38/61/48/1079386148.db2.gz AUHPHJVHDLJDFM-AWEZNQCLSA-N 1 2 416.279 2.331 20 0 HEADLO O=C(Nc1cn2cc(Br)ncc2n1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000771587747 1079386155 /nfs/dbraw/zinc/38/61/55/1079386155.db2.gz AUHPHJVHDLJDFM-AWEZNQCLSA-N 1 2 416.279 2.331 20 0 HEADLO CC(=O)NCC[N@@H+](Cc1ccc(Cl)cc1Cl)C[C@H](O)CC1(O)CCOCC1 ZINC001169754828 1079397296 /nfs/dbraw/zinc/39/72/96/1079397296.db2.gz PTWYCBUFUBOYHO-QGZVFWFLSA-N 1 2 419.349 2.224 20 0 HEADLO CC(=O)NCC[N@H+](Cc1ccc(Cl)cc1Cl)C[C@H](O)CC1(O)CCOCC1 ZINC001169754828 1079397301 /nfs/dbraw/zinc/39/73/01/1079397301.db2.gz PTWYCBUFUBOYHO-QGZVFWFLSA-N 1 2 419.349 2.224 20 0 HEADLO Cc1cccc(S(=O)(=O)CCC[NH+]2CCC(Oc3ccnc(C(N)=O)c3)CC2)c1 ZINC000766843719 1079433859 /nfs/dbraw/zinc/43/38/59/1079433859.db2.gz MKDJNVCQZMRAIM-UHFFFAOYSA-N 1 2 417.531 2.196 20 0 HEADLO CC(C)(C)OC(=O)N1CC[C@](C)(O)[C@@H]([NH+]2CCN(C(=O)Cc3ccccc3)CC2)C1 ZINC001169909089 1079473815 /nfs/dbraw/zinc/47/38/15/1079473815.db2.gz XUGAQLOCWHPRPW-CVDCTZTESA-N 1 2 417.550 2.134 20 0 HEADLO COc1ccccc1/C(C)=C\C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000737751826 1075922535 /nfs/dbraw/zinc/92/25/35/1075922535.db2.gz OVPCPPKFKQFGBZ-SDXDJHTJSA-N 1 2 423.517 2.074 20 0 HEADLO COc1ccccc1/C(C)=C\C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000737751826 1075922542 /nfs/dbraw/zinc/92/25/42/1075922542.db2.gz OVPCPPKFKQFGBZ-SDXDJHTJSA-N 1 2 423.517 2.074 20 0 HEADLO O=C(NCC[NH+]1CCN(c2ccc(F)cc2)CC1)c1cnn(-c2ccc(F)cc2)n1 ZINC000737793631 1075929558 /nfs/dbraw/zinc/92/95/58/1075929558.db2.gz GFSBQLJLYKXVEJ-UHFFFAOYSA-N 1 2 412.444 2.098 20 0 HEADLO C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)c1ccccc1 ZINC000737793839 1075930080 /nfs/dbraw/zinc/93/00/80/1075930080.db2.gz IKKFLRKHOGBRGS-NQIIRXRSSA-N 1 2 411.502 2.491 20 0 HEADLO C[C@@H]1C[N@H+](CCNC(=O)[C@H](NC(=O)OCc2ccccc2)c2ccccc2)CCO1 ZINC000737827438 1075934010 /nfs/dbraw/zinc/93/40/10/1075934010.db2.gz SJNJVJUSJLYTHQ-WIYYLYMNSA-N 1 2 411.502 2.491 20 0 HEADLO C[C@@H]1C[N@@H+](CCNC(=O)[C@H](NC(=O)OCc2ccccc2)c2ccccc2)CCO1 ZINC000737827438 1075934021 /nfs/dbraw/zinc/93/40/21/1075934021.db2.gz SJNJVJUSJLYTHQ-WIYYLYMNSA-N 1 2 411.502 2.491 20 0 HEADLO CN(C[C@H]1CCC[N@H+](CN2C(=O)C[C@]3(CCSC3)C2=O)C1)C(=O)OC(C)(C)C ZINC000738086833 1075959583 /nfs/dbraw/zinc/95/95/83/1075959583.db2.gz OTNRYNVMGCAPAV-QRWLVFNGSA-N 1 2 411.568 2.405 20 0 HEADLO CN(C[C@H]1CCC[N@@H+](CN2C(=O)C[C@]3(CCSC3)C2=O)C1)C(=O)OC(C)(C)C ZINC000738086833 1075959593 /nfs/dbraw/zinc/95/95/93/1075959593.db2.gz OTNRYNVMGCAPAV-QRWLVFNGSA-N 1 2 411.568 2.405 20 0 HEADLO COC(=O)[C@H]1CCC[N@H+](CN2C(=O)C[C@](C)(c3ccc(Br)cc3)C2=O)C1 ZINC000738058359 1075961919 /nfs/dbraw/zinc/96/19/19/1075961919.db2.gz VFCRBNZQTPUPJI-ORAYPTAESA-N 1 2 423.307 2.308 20 0 HEADLO COC(=O)[C@H]1CCC[N@@H+](CN2C(=O)C[C@](C)(c3ccc(Br)cc3)C2=O)C1 ZINC000738058359 1075961923 /nfs/dbraw/zinc/96/19/23/1075961923.db2.gz VFCRBNZQTPUPJI-ORAYPTAESA-N 1 2 423.307 2.308 20 0 HEADLO C[C@]1(c2ccc(F)cc2Cl)NC(=O)N(C[NH+]2CCC(C3OCCO3)CC2)C1=O ZINC000738138918 1075968120 /nfs/dbraw/zinc/96/81/20/1075968120.db2.gz TZQFXVVCCCEPIB-LJQANCHMSA-N 1 2 411.861 2.289 20 0 HEADLO C[C@@H]1C[N@H+](CN2C(=O)N[C@](C)(c3ccc(F)cc3Br)C2=O)CCCO1 ZINC000738163436 1075971918 /nfs/dbraw/zinc/97/19/18/1075971918.db2.gz WYFOHDVVKSEMKE-PIGZYNQJSA-N 1 2 414.275 2.424 20 0 HEADLO C[C@@H]1C[N@@H+](CN2C(=O)N[C@](C)(c3ccc(F)cc3Br)C2=O)CCCO1 ZINC000738163436 1075971924 /nfs/dbraw/zinc/97/19/24/1075971924.db2.gz WYFOHDVVKSEMKE-PIGZYNQJSA-N 1 2 414.275 2.424 20 0 HEADLO C[C@@H]1C[N@H+](CN2C(=O)N[C@@](C)(c3ccc(F)cc3Br)C2=O)CCCO1 ZINC000738163433 1075971973 /nfs/dbraw/zinc/97/19/73/1075971973.db2.gz WYFOHDVVKSEMKE-DIFFPNOSSA-N 1 2 414.275 2.424 20 0 HEADLO C[C@@H]1C[N@@H+](CN2C(=O)N[C@@](C)(c3ccc(F)cc3Br)C2=O)CCCO1 ZINC000738163433 1075971976 /nfs/dbraw/zinc/97/19/76/1075971976.db2.gz WYFOHDVVKSEMKE-DIFFPNOSSA-N 1 2 414.275 2.424 20 0 HEADLO O=C(CC[N@@H+]1CCNC(=O)[C@H]1c1ccccc1)Nc1ccc(N2CCOCC2)cc1 ZINC000738324189 1075990117 /nfs/dbraw/zinc/99/01/17/1075990117.db2.gz NPCYLWOPZQASAW-JOCHJYFZSA-N 1 2 408.502 2.025 20 0 HEADLO O=C(CC[N@H+]1CCNC(=O)[C@H]1c1ccccc1)Nc1ccc(N2CCOCC2)cc1 ZINC000738324189 1075990119 /nfs/dbraw/zinc/99/01/19/1075990119.db2.gz NPCYLWOPZQASAW-JOCHJYFZSA-N 1 2 408.502 2.025 20 0 HEADLO CC(C)c1ccc(NC(=O)CN2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)cc1 ZINC000738343424 1075996401 /nfs/dbraw/zinc/99/64/01/1075996401.db2.gz MEAIGYKZFTWLHJ-UHFFFAOYSA-N 1 2 424.549 2.197 20 0 HEADLO CCOC(=O)N1CCC(NC(=O)C[N@@H+]2CCC[C@H](C(=O)c3ccc(F)cc3)C2)CC1 ZINC000738881424 1076021301 /nfs/dbraw/zinc/02/13/01/1076021301.db2.gz IRVOXSZQXWXYJJ-KRWDZBQOSA-N 1 2 419.497 2.458 20 0 HEADLO CCOC(=O)N1CCC(NC(=O)C[N@H+]2CCC[C@H](C(=O)c3ccc(F)cc3)C2)CC1 ZINC000738881424 1076021303 /nfs/dbraw/zinc/02/13/03/1076021303.db2.gz IRVOXSZQXWXYJJ-KRWDZBQOSA-N 1 2 419.497 2.458 20 0 HEADLO CCc1cnc(C[NH2+][C@@H](C)c2cccc(N(S(C)(=O)=O)S(C)(=O)=O)c2)s1 ZINC000766238168 1076063966 /nfs/dbraw/zinc/06/39/66/1076063966.db2.gz XEOTYNSTVRXKFO-LBPRGKRZSA-N 1 2 417.578 2.282 20 0 HEADLO OC[C@H]1CCCN(c2cc(NC[C@@H](O)c3cc(Cl)c4c(c3)OCCO4)[nH+]cn2)C1 ZINC000739900506 1076086044 /nfs/dbraw/zinc/08/60/44/1076086044.db2.gz DCLZYPSOAOJOBP-XJKSGUPXSA-N 1 2 420.897 2.255 20 0 HEADLO OC[C@H]1CCCN(c2cc(NC[C@@H](O)c3cc(Cl)c4c(c3)OCCO4)nc[nH+]2)C1 ZINC000739900506 1076086054 /nfs/dbraw/zinc/08/60/54/1076086054.db2.gz DCLZYPSOAOJOBP-XJKSGUPXSA-N 1 2 420.897 2.255 20 0 HEADLO O=C(C[NH+]1CCC(NC(=O)NC[C@@H](O)c2ccsc2)CC1)Nc1ccccc1 ZINC000740027705 1076104240 /nfs/dbraw/zinc/10/42/40/1076104240.db2.gz VCZCTNAUTBGSLE-GOSISDBHSA-N 1 2 402.520 2.184 20 0 HEADLO CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CC[NH+](CCn3cncn3)CC2)cc1 ZINC000740739047 1076229504 /nfs/dbraw/zinc/22/95/04/1076229504.db2.gz YDOMKADADIAYOG-UHFFFAOYSA-N 1 2 400.483 2.083 20 0 HEADLO CS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC[N@H+](C[C@H]3CCCO3)CC2)c1 ZINC000740819902 1076246083 /nfs/dbraw/zinc/24/60/83/1076246083.db2.gz JDZUHKDKJNIKJX-CQSZACIVSA-N 1 2 400.928 2.070 20 0 HEADLO CS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC[N@@H+](C[C@H]3CCCO3)CC2)c1 ZINC000740819902 1076246085 /nfs/dbraw/zinc/24/60/85/1076246085.db2.gz JDZUHKDKJNIKJX-CQSZACIVSA-N 1 2 400.928 2.070 20 0 HEADLO CCC[N@H+](CN1c2cc3c(cc2C(=O)C1=O)OCCO3)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000740857079 1076269679 /nfs/dbraw/zinc/26/96/79/1076269679.db2.gz BAEIGGIFOITLHD-SMHULIPUSA-N 1 2 400.475 2.470 20 0 HEADLO CCC[N@@H+](CN1c2cc3c(cc2C(=O)C1=O)OCCO3)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000740857079 1076269686 /nfs/dbraw/zinc/26/96/86/1076269686.db2.gz BAEIGGIFOITLHD-SMHULIPUSA-N 1 2 400.475 2.470 20 0 HEADLO CCOc1ccccc1N1C(=O)C(=O)N(C[N@@H+](C)[C@H]2C[C@@H](OCC)C2(C)C)C1=O ZINC000740863173 1076273957 /nfs/dbraw/zinc/27/39/57/1076273957.db2.gz MEVDFCRKSQGWSU-DLBZAZTESA-N 1 2 403.479 2.473 20 0 HEADLO CCOc1ccccc1N1C(=O)C(=O)N(C[N@H+](C)[C@H]2C[C@@H](OCC)C2(C)C)C1=O ZINC000740863173 1076273965 /nfs/dbraw/zinc/27/39/65/1076273965.db2.gz MEVDFCRKSQGWSU-DLBZAZTESA-N 1 2 403.479 2.473 20 0 HEADLO Cc1cc(=O)oc2cc(OCC[N@H+](C[C@H]3CCCO3)[C@H]3CCS(=O)(=O)C3)ccc12 ZINC000740877405 1076278165 /nfs/dbraw/zinc/27/81/65/1076278165.db2.gz FYCCOBQDRLNKQG-FUHWJXTLSA-N 1 2 421.515 2.148 20 0 HEADLO Cc1cc(=O)oc2cc(OCC[N@@H+](C[C@H]3CCCO3)[C@H]3CCS(=O)(=O)C3)ccc12 ZINC000740877405 1076278176 /nfs/dbraw/zinc/27/81/76/1076278176.db2.gz FYCCOBQDRLNKQG-FUHWJXTLSA-N 1 2 421.515 2.148 20 0 HEADLO C[C@@](O)(CNC(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1)c1ccsc1 ZINC000740909240 1076288482 /nfs/dbraw/zinc/28/84/82/1076288482.db2.gz AZYOFBAQURQZOD-OAQYLSRUSA-N 1 2 419.547 2.166 20 0 HEADLO C[C@@H](CNS(=O)(=O)c1ccc(N2CCOC2=O)cc1)[N@@H+]1CCc2sccc2C1 ZINC000740889832 1076291138 /nfs/dbraw/zinc/29/11/38/1076291138.db2.gz LVRUATHWIIOGFN-AWEZNQCLSA-N 1 2 421.544 2.430 20 0 HEADLO C[C@@H](CNS(=O)(=O)c1ccc(N2CCOC2=O)cc1)[N@H+]1CCc2sccc2C1 ZINC000740889832 1076291141 /nfs/dbraw/zinc/29/11/41/1076291141.db2.gz LVRUATHWIIOGFN-AWEZNQCLSA-N 1 2 421.544 2.430 20 0 HEADLO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc(S(C)(=O)=O)ccc2Cl)C[C@H]1C ZINC000740893938 1076294522 /nfs/dbraw/zinc/29/45/22/1076294522.db2.gz GZBVOLJAJZFXLB-CHWSQXEVSA-N 1 2 408.973 2.237 20 0 HEADLO CC[N@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc(S(C)(=O)=O)ccc2Cl)C[C@H]1C ZINC000740893938 1076294526 /nfs/dbraw/zinc/29/45/26/1076294526.db2.gz GZBVOLJAJZFXLB-CHWSQXEVSA-N 1 2 408.973 2.237 20 0 HEADLO C[N@@H+]1CCCC[C@H]1C(=O)OCC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1 ZINC000741144724 1076391511 /nfs/dbraw/zinc/39/15/11/1076391511.db2.gz AOWRGGVGDZNVGL-HNNXBMFYSA-N 1 2 411.384 2.252 20 0 HEADLO C[N@H+]1CCCC[C@H]1C(=O)OCC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1 ZINC000741144724 1076391514 /nfs/dbraw/zinc/39/15/14/1076391514.db2.gz AOWRGGVGDZNVGL-HNNXBMFYSA-N 1 2 411.384 2.252 20 0 HEADLO CC[N@H+](C)[C@@H](C(=O)OCC(=O)Nc1ccc(S(C)(=O)=O)cc1)c1ccccc1 ZINC000741150269 1076392976 /nfs/dbraw/zinc/39/29/76/1076392976.db2.gz BXCHLRIZSZLYAK-LJQANCHMSA-N 1 2 404.488 2.265 20 0 HEADLO CC[N@@H+](C)[C@@H](C(=O)OCC(=O)Nc1ccc(S(C)(=O)=O)cc1)c1ccccc1 ZINC000741150269 1076392979 /nfs/dbraw/zinc/39/29/79/1076392979.db2.gz BXCHLRIZSZLYAK-LJQANCHMSA-N 1 2 404.488 2.265 20 0 HEADLO O=C(COC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1)Nc1cccc2nsnc21 ZINC000741379976 1076504765 /nfs/dbraw/zinc/50/47/65/1076504765.db2.gz BDVKCZIZLQUDJZ-KRWDZBQOSA-N 1 2 412.471 2.074 20 0 HEADLO O=C(COC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)Nc1cccc2nsnc21 ZINC000741379976 1076504771 /nfs/dbraw/zinc/50/47/71/1076504771.db2.gz BDVKCZIZLQUDJZ-KRWDZBQOSA-N 1 2 412.471 2.074 20 0 HEADLO C[C@H](OC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1)C(=O)N[C@H]1CCOc2ccccc21 ZINC000741380648 1076505523 /nfs/dbraw/zinc/50/55/23/1076505523.db2.gz DDBKKSASAPAHGT-RBDMOPTHSA-N 1 2 424.497 2.459 20 0 HEADLO C[C@H](OC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1)C(=O)N[C@H]1CCOc2ccccc21 ZINC000741380648 1076505525 /nfs/dbraw/zinc/50/55/25/1076505525.db2.gz DDBKKSASAPAHGT-RBDMOPTHSA-N 1 2 424.497 2.459 20 0 HEADLO CN(Cc1ccccc1F)C(=O)COC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000741381319 1076506282 /nfs/dbraw/zinc/50/62/82/1076506282.db2.gz FPEMNAXLPVAUHO-HXUWFJFHSA-N 1 2 400.450 2.228 20 0 HEADLO CN(Cc1ccccc1F)C(=O)COC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000741381319 1076506287 /nfs/dbraw/zinc/50/62/87/1076506287.db2.gz FPEMNAXLPVAUHO-HXUWFJFHSA-N 1 2 400.450 2.228 20 0 HEADLO O=C(OCCCN1C(=O)c2ccccc2C1=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000741382979 1076506813 /nfs/dbraw/zinc/50/68/13/1076506813.db2.gz QWRSQFHZNPWGCX-HXUWFJFHSA-N 1 2 408.454 2.117 20 0 HEADLO O=C(OCCCN1C(=O)c2ccccc2C1=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000741382979 1076506815 /nfs/dbraw/zinc/50/68/15/1076506815.db2.gz QWRSQFHZNPWGCX-HXUWFJFHSA-N 1 2 408.454 2.117 20 0 HEADLO Cc1n[nH]c(C)c1[C@@H]1COCC[N@@H+]1CCC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000766273911 1076572274 /nfs/dbraw/zinc/57/22/74/1076572274.db2.gz BDAZJCZJQSNEGL-FQEVSTJZSA-N 1 2 413.522 2.265 20 0 HEADLO Cc1n[nH]c(C)c1[C@@H]1COCC[N@H+]1CCC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000766273911 1076572283 /nfs/dbraw/zinc/57/22/83/1076572283.db2.gz BDAZJCZJQSNEGL-FQEVSTJZSA-N 1 2 413.522 2.265 20 0 HEADLO O=C(NCC[NH+]1CCN(c2ccccc2)CC1)c1cc(N2CCOC2=O)ccc1F ZINC000741667367 1076581579 /nfs/dbraw/zinc/58/15/79/1076581579.db2.gz QYTDDDAOYDKGJL-UHFFFAOYSA-N 1 2 412.465 2.334 20 0 HEADLO Cc1cc(C(=O)NCC[N@@H+]2CCO[C@@H](C)C2)cc(C)c1OCC(=O)N1CCCCC1 ZINC000741684133 1076585179 /nfs/dbraw/zinc/58/51/79/1076585179.db2.gz FSSRESRLWWTZPD-IBGZPJMESA-N 1 2 417.550 2.145 20 0 HEADLO Cc1cc(C(=O)NCC[N@H+]2CCO[C@@H](C)C2)cc(C)c1OCC(=O)N1CCCCC1 ZINC000741684133 1076585182 /nfs/dbraw/zinc/58/51/82/1076585182.db2.gz FSSRESRLWWTZPD-IBGZPJMESA-N 1 2 417.550 2.145 20 0 HEADLO C[C@@H]1Cc2ccccc2C[N@@H+]1CC(=O)NN1C(=O)N[C@](C)(CCc2ccccc2)C1=O ZINC000741797686 1076640522 /nfs/dbraw/zinc/64/05/22/1076640522.db2.gz OJAWOPVVMMRBIL-MZNJEOGPSA-N 1 2 420.513 2.408 20 0 HEADLO C[C@@H]1Cc2ccccc2C[N@H+]1CC(=O)NN1C(=O)N[C@](C)(CCc2ccccc2)C1=O ZINC000741797686 1076640531 /nfs/dbraw/zinc/64/05/31/1076640531.db2.gz OJAWOPVVMMRBIL-MZNJEOGPSA-N 1 2 420.513 2.408 20 0 HEADLO CN(C)c1ccc([NH+]2CCC(NC(=O)[C@@H]3CC(=O)N(Cc4ccco4)C3)CC2)cc1 ZINC000741982398 1076702266 /nfs/dbraw/zinc/70/22/66/1076702266.db2.gz UUMAJNNENMLKJK-QGZVFWFLSA-N 1 2 410.518 2.479 20 0 HEADLO CN(C)c1ccc([NH+]2CCC(NC(=O)[C@@H]3CC(=O)N(CC(F)(F)F)C3)CC2)cc1 ZINC000741982034 1076702817 /nfs/dbraw/zinc/70/28/17/1076702817.db2.gz KAULTVHPUULTLO-CQSZACIVSA-N 1 2 412.456 2.248 20 0 HEADLO CN(C)c1ccc([NH+]2CCC(NC(=O)CNC(=O)Cc3cccc(F)c3)CC2)cc1 ZINC000742109901 1076744688 /nfs/dbraw/zinc/74/46/88/1076744688.db2.gz YMLKWPAPYLKRGX-UHFFFAOYSA-N 1 2 412.509 2.336 20 0 HEADLO CN(C)c1ccc([NH+]2CCC(NC(=O)[C@H]3CC[C@H](C(F)(F)F)NC3=O)CC2)cc1 ZINC000742109329 1076745042 /nfs/dbraw/zinc/74/50/42/1076745042.db2.gz NGSNORQGFXINNS-IAGOWNOFSA-N 1 2 412.456 2.295 20 0 HEADLO CCC1(O)CC[NH+](CN2C(=O)N[C@](C)(c3ccc(Br)cc3)C2=O)CC1 ZINC000742171168 1076763168 /nfs/dbraw/zinc/76/31/68/1076763168.db2.gz FUXRPMHJLRROSN-QGZVFWFLSA-N 1 2 410.312 2.411 20 0 HEADLO CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC([N@H+](C)CC(F)F)CC2)c1 ZINC000742237742 1076803361 /nfs/dbraw/zinc/80/33/61/1076803361.db2.gz OGVWKMFJJFIZIC-UHFFFAOYSA-N 1 2 423.913 2.392 20 0 HEADLO CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC([N@@H+](C)CC(F)F)CC2)c1 ZINC000742237742 1076803363 /nfs/dbraw/zinc/80/33/63/1076803363.db2.gz OGVWKMFJJFIZIC-UHFFFAOYSA-N 1 2 423.913 2.392 20 0 HEADLO C[N@H+](CC(F)F)C1CCN(C(=O)[C@H]2CCCN2C(=O)OCC(F)(F)F)CC1 ZINC000742239656 1076803825 /nfs/dbraw/zinc/80/38/25/1076803825.db2.gz XDBOGEYLMSNFIH-GFCCVEGCSA-N 1 2 401.376 2.338 20 0 HEADLO C[N@@H+](CC(F)F)C1CCN(C(=O)[C@H]2CCCN2C(=O)OCC(F)(F)F)CC1 ZINC000742239656 1076803827 /nfs/dbraw/zinc/80/38/27/1076803827.db2.gz XDBOGEYLMSNFIH-GFCCVEGCSA-N 1 2 401.376 2.338 20 0 HEADLO Cc1oc(C(=O)N2CCC([N@H+](C)CC(F)F)CC2)cc1S(=O)(=O)N1CCCC1 ZINC000742239094 1076803880 /nfs/dbraw/zinc/80/38/80/1076803880.db2.gz NXVBKEXYSJILKE-UHFFFAOYSA-N 1 2 419.494 2.174 20 0 HEADLO Cc1oc(C(=O)N2CCC([N@@H+](C)CC(F)F)CC2)cc1S(=O)(=O)N1CCCC1 ZINC000742239094 1076803882 /nfs/dbraw/zinc/80/38/82/1076803882.db2.gz NXVBKEXYSJILKE-UHFFFAOYSA-N 1 2 419.494 2.174 20 0 HEADLO COC(=O)CN(CC[NH+]1CCOCC1)Cn1ccn(-c2cc(C)ccc2C)c1=S ZINC000742255130 1076810284 /nfs/dbraw/zinc/81/02/84/1076810284.db2.gz POEDAOBBOSFKAK-UHFFFAOYSA-N 1 2 418.563 2.390 20 0 HEADLO O=C1C[C@H]([N@@H+]2CCc3c(cccc3N3CCOC3=O)C2)C(=O)N1c1ccc(F)cc1 ZINC000742264482 1076811157 /nfs/dbraw/zinc/81/11/57/1076811157.db2.gz CSDAMHVAIKCBMU-IBGZPJMESA-N 1 2 409.417 2.473 20 0 HEADLO O=C1C[C@H]([N@H+]2CCc3c(cccc3N3CCOC3=O)C2)C(=O)N1c1ccc(F)cc1 ZINC000742264482 1076811158 /nfs/dbraw/zinc/81/11/58/1076811158.db2.gz CSDAMHVAIKCBMU-IBGZPJMESA-N 1 2 409.417 2.473 20 0 HEADLO COc1ccc(C(N)=[NH+]OCC(=O)N(C)CCOc2ccccc2F)cc1OC ZINC000742354280 1076829587 /nfs/dbraw/zinc/82/95/87/1076829587.db2.gz FEKVBXKRVHSQKN-UHFFFAOYSA-N 1 2 405.426 2.227 20 0 HEADLO CCCCC[C@H](C)CC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000742539842 1076849909 /nfs/dbraw/zinc/84/99/09/1076849909.db2.gz FBKKIMUPTNIGFL-SFHVURJKSA-N 1 2 410.584 2.256 20 0 HEADLO COc1c(C)c[nH+]c(CNC(=O)c2cn([C@H]3CCS(=O)(=O)C3)nc2C(C)C)c1C ZINC000742600768 1076855199 /nfs/dbraw/zinc/85/51/99/1076855199.db2.gz VOUJYXZRPPYOPI-HNNXBMFYSA-N 1 2 420.535 2.317 20 0 HEADLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)[C@H](CNC(=O)OC(C)(C)C)c1ccccc1 ZINC000742646864 1076857663 /nfs/dbraw/zinc/85/76/63/1076857663.db2.gz UGHQVYOBEIVXTD-PKOBYXMFSA-N 1 2 404.555 2.047 20 0 HEADLO COc1ccc(OC)c(COC(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)c1 ZINC000766284884 1076863240 /nfs/dbraw/zinc/86/32/40/1076863240.db2.gz RXSMMZMERHXTCQ-UHFFFAOYSA-N 1 2 413.474 2.271 20 0 HEADLO O=C(CCC(=O)N1CCN(c2cccc[nH+]2)CC1)OCc1ccc(-n2cccn2)cc1 ZINC000766284304 1076881485 /nfs/dbraw/zinc/88/14/85/1076881485.db2.gz NZMCCXKDKIOUNE-UHFFFAOYSA-N 1 2 419.485 2.440 20 0 HEADLO CC[NH+](CC)[C@H]1CCN(C(=O)c2ccc3c(c2)[nH]c(=S)n(CCCOC)c3=O)C1 ZINC000742900860 1076895060 /nfs/dbraw/zinc/89/50/60/1076895060.db2.gz FHVHETDWFHNJLG-INIZCTEOSA-N 1 2 418.563 2.278 20 0 HEADLO CN(C)c1ccc([NH+]2CCC(NC(=O)Nc3cccc(S(N)(=O)=O)c3)CC2)cc1 ZINC000743151133 1076968539 /nfs/dbraw/zinc/96/85/39/1076968539.db2.gz XNNIDHCOZRMLQO-UHFFFAOYSA-N 1 2 417.535 2.191 20 0 HEADLO COCC[S@](=O)Cc1cccc(NC(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)c1 ZINC000743159309 1076978848 /nfs/dbraw/zinc/97/88/48/1076978848.db2.gz XJBOGWVRHSCJEG-WRONEBCDSA-N 1 2 423.579 2.300 20 0 HEADLO C[C@@H]1CN(c2ccc(NC(=O)NC[C@@]3([NH+]4CCOCC4)CCSC3)cc2)CCO1 ZINC000743174071 1076988919 /nfs/dbraw/zinc/98/89/19/1076988919.db2.gz DFMNXHSOTVXVPE-UTKZUKDTSA-N 1 2 420.579 2.241 20 0 HEADLO C[C@H](Cn1cc[nH+]c1)NC(=O)Nc1cc(Cl)ccc1OCCS(C)(=O)=O ZINC000743238036 1077011300 /nfs/dbraw/zinc/01/13/00/1077011300.db2.gz LYPLYCBFMZGGMC-GFCCVEGCSA-N 1 2 400.888 2.170 20 0 HEADLO CO[C@@H]1CCC[N@H+](CN2C(=O)N[C@]3(CCCC[C@H]3CNC(=O)OC(C)(C)C)C2=O)C1 ZINC000743361303 1077032290 /nfs/dbraw/zinc/03/22/90/1077032290.db2.gz MMQJGLIVJSQWGM-MRUHUIDDSA-N 1 2 424.542 2.060 20 0 HEADLO CO[C@@H]1CCC[N@@H+](CN2C(=O)N[C@]3(CCCC[C@H]3CNC(=O)OC(C)(C)C)C2=O)C1 ZINC000743361303 1077032296 /nfs/dbraw/zinc/03/22/96/1077032296.db2.gz MMQJGLIVJSQWGM-MRUHUIDDSA-N 1 2 424.542 2.060 20 0 HEADLO C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(CN2CCC[C@H]2C[NH+]2CCOCC2)C1=O ZINC000743374763 1077035471 /nfs/dbraw/zinc/03/54/71/1077035471.db2.gz PUEZOKWPPUSLQP-URXFXBBRSA-N 1 2 422.529 2.361 20 0 HEADLO CCc1ccc(N2CCN(C(=O)NC[C@]3([NH+]4CCOCC4)CCSC3)CC2)cc1 ZINC000743557263 1077068433 /nfs/dbraw/zinc/06/84/33/1077068433.db2.gz PINYWGOQYDOLFS-JOCHJYFZSA-N 1 2 418.607 2.289 20 0 HEADLO C[C@H]1C[C@H](c2cccc(F)c2)N(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC000743602767 1077079046 /nfs/dbraw/zinc/07/90/46/1077079046.db2.gz PTUWRBVWYTWIMU-HNAYVOBHSA-N 1 2 411.543 2.427 20 0 HEADLO O=C(CNC(=O)c1ccc(-c2ccccc2)cc1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000743727558 1077097252 /nfs/dbraw/zinc/09/72/52/1077097252.db2.gz AYOOOQUNWDSLFX-JOCHJYFZSA-N 1 2 407.514 2.407 20 0 HEADLO CCOC(=O)c1cnc(N2CC[NH+](C[C@@H](O)c3cc(OC)ccc3OC)CC2)s1 ZINC000743859611 1077145690 /nfs/dbraw/zinc/14/56/90/1077145690.db2.gz FVLYCVZEOFSVCE-MRXNPFEDSA-N 1 2 421.519 2.193 20 0 HEADLO CCc1ccc(N2CC[NH+](CC(=O)N(CCC(N)=O)c3ccccc3OC)CC2)cc1 ZINC000743867242 1077152404 /nfs/dbraw/zinc/15/24/04/1077152404.db2.gz IJDGYCCGUWHEGA-UHFFFAOYSA-N 1 2 424.545 2.288 20 0 HEADLO CCc1ccc(N2CC[NH+](CC(=O)NCCCN3CCCCCC3=O)CC2)cc1 ZINC000743866838 1077153760 /nfs/dbraw/zinc/15/37/60/1077153760.db2.gz GLCDXVJCQOUXOI-UHFFFAOYSA-N 1 2 400.567 2.280 20 0 HEADLO C[C@@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)C(=O)NCCn2cc[nH+]c2)cc1 ZINC000743880075 1077163687 /nfs/dbraw/zinc/16/36/87/1077163687.db2.gz MRPUYUYKEIJLLC-CQSZACIVSA-N 1 2 401.467 2.224 20 0 HEADLO O=C(Nc1cccc(C[NH+]2CCOCC2)c1)C1CCN(C(=O)c2cccnc2)CC1 ZINC000743886319 1077178568 /nfs/dbraw/zinc/17/85/68/1077178568.db2.gz WLKLHIBNWQNELE-UHFFFAOYSA-N 1 2 408.502 2.405 20 0 HEADLO O=C(NCc1ccccc1OCC[NH+]1CCOCC1)c1cc(=O)c2ccccc2o1 ZINC000743937222 1077229234 /nfs/dbraw/zinc/22/92/34/1077229234.db2.gz LPCMVLONPUFODC-UHFFFAOYSA-N 1 2 408.454 2.434 20 0 HEADLO C[C@H]1CN(C(=O)C(=O)Nc2cccc(-n3cc[nH+]c3)c2)CCN1C(=O)OC(C)(C)C ZINC000743938504 1077231062 /nfs/dbraw/zinc/23/10/62/1077231062.db2.gz DWFIQBOIMAUTGU-HNNXBMFYSA-N 1 2 413.478 2.279 20 0 HEADLO CC(=O)Nc1ccc(NC(=O)C(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)cc1 ZINC000743945012 1077240284 /nfs/dbraw/zinc/24/02/84/1077240284.db2.gz RIDBIVLKIVGBMO-UHFFFAOYSA-N 1 2 423.517 2.435 20 0 HEADLO CC(C)(C)OC(=O)NC(C)(C)C(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000743927157 1077251401 /nfs/dbraw/zinc/25/14/01/1077251401.db2.gz LMUYYYGJBXEBGA-UHFFFAOYSA-N 1 2 421.538 2.317 20 0 HEADLO C[C@]1(c2ccccc2F)NC(=O)N(C[NH+]2CCC(NC(=O)c3ccccc3)CC2)C1=O ZINC000744130708 1077326132 /nfs/dbraw/zinc/32/61/32/1077326132.db2.gz PYZHWNUTPVFWHN-HSZRJFAPSA-N 1 2 424.476 2.445 20 0 HEADLO CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)C[N@@H+]2CCC[C@@H]2c2ccc(O)cc2)C1=O ZINC000744200617 1077338853 /nfs/dbraw/zinc/33/88/53/1077338853.db2.gz NGCJZCBCBGISKG-XXBNENTESA-N 1 2 422.485 2.418 20 0 HEADLO CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)C[N@H+]2CCC[C@@H]2c2ccc(O)cc2)C1=O ZINC000744200617 1077338860 /nfs/dbraw/zinc/33/88/60/1077338860.db2.gz NGCJZCBCBGISKG-XXBNENTESA-N 1 2 422.485 2.418 20 0 HEADLO O=C(NCc1ccccc1OCC[NH+]1CCOCC1)NC[C@H](O)c1ccccc1F ZINC000744291908 1077357504 /nfs/dbraw/zinc/35/75/04/1077357504.db2.gz LWQPVNQFVJUONM-FQEVSTJZSA-N 1 2 417.481 2.070 20 0 HEADLO Cc1nnnn1/C(=C/c1ccccc1)C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000744388252 1077372708 /nfs/dbraw/zinc/37/27/08/1077372708.db2.gz FQMHODMSRNULNU-PXLXIMEGSA-N 1 2 418.501 2.128 20 0 HEADLO Cc1c(O)ccc2c(C[N@@H+](CC(=O)N3CCCC3)C[C@@H]3CCCO3)cc(=O)oc12 ZINC000744424921 1077387898 /nfs/dbraw/zinc/38/78/98/1077387898.db2.gz WOCVPGNDQADPMN-KRWDZBQOSA-N 1 2 400.475 2.410 20 0 HEADLO Cc1c(O)ccc2c(C[N@H+](CC(=O)N3CCCC3)C[C@@H]3CCCO3)cc(=O)oc12 ZINC000744424921 1077387901 /nfs/dbraw/zinc/38/79/01/1077387901.db2.gz WOCVPGNDQADPMN-KRWDZBQOSA-N 1 2 400.475 2.410 20 0 HEADLO CCOC(=O)C1=C(C[NH+]2CCC(OCC3CC3)CC2)NC(=O)N[C@H]1c1ccco1 ZINC000744429471 1077391088 /nfs/dbraw/zinc/39/10/88/1077391088.db2.gz VYGXLGLVAALUSB-IBGZPJMESA-N 1 2 403.479 2.342 20 0 HEADLO CCOC(=O)N1CCN(C(=O)N[C@H](c2ccc(Cl)cc2)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000766321937 1077436490 /nfs/dbraw/zinc/43/64/90/1077436490.db2.gz SVWGABJBKZLNNH-QZTJIDSGSA-N 1 2 424.929 2.195 20 0 HEADLO CCOC(=O)N1CCN(C(=O)N[C@H](c2ccc(Cl)cc2)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000766321937 1077436496 /nfs/dbraw/zinc/43/64/96/1077436496.db2.gz SVWGABJBKZLNNH-QZTJIDSGSA-N 1 2 424.929 2.195 20 0 HEADLO CCOC(=O)/C=C\c1ccc(NC(=O)C(=O)NCC[NH+]2Cc3ccccc3C2)cc1 ZINC000744926125 1077655034 /nfs/dbraw/zinc/65/50/34/1077655034.db2.gz ZUJWFLAHPDUEMG-XFXZXTDPSA-N 1 2 407.470 2.333 20 0 HEADLO CC[NH+](CC)[C@@H](C(=O)O[C@H](C)C(=O)N1CCC(C(=O)OC)CC1)c1ccccc1 ZINC000744996348 1077700101 /nfs/dbraw/zinc/70/01/01/1077700101.db2.gz KNQLJJDPWWFKHI-VQIMIIECSA-N 1 2 404.507 2.413 20 0 HEADLO CC[N@@H+]1CCCC[C@@H]1C(=O)O[C@H](C)C(=O)Nc1cc(C(=O)OC)ccc1C(=O)OC ZINC000745088795 1077724716 /nfs/dbraw/zinc/72/47/16/1077724716.db2.gz OYICHFIEMVKZAL-CXAGYDPISA-N 1 2 420.462 2.004 20 0 HEADLO CC[N@H+]1CCCC[C@@H]1C(=O)O[C@H](C)C(=O)Nc1cc(C(=O)OC)ccc1C(=O)OC ZINC000745088795 1077724727 /nfs/dbraw/zinc/72/47/27/1077724727.db2.gz OYICHFIEMVKZAL-CXAGYDPISA-N 1 2 420.462 2.004 20 0 HEADLO CC[N@H+](C)[C@@H](C(=O)OCC(=O)N1CCC(C(=O)N(C)C(C)C)CC1)c1ccccc1 ZINC000745097569 1077729293 /nfs/dbraw/zinc/72/92/93/1077729293.db2.gz GKJYLKIPLRZKIK-OAQYLSRUSA-N 1 2 417.550 2.328 20 0 HEADLO CC[N@@H+](C)[C@@H](C(=O)OCC(=O)N1CCC(C(=O)N(C)C(C)C)CC1)c1ccccc1 ZINC000745097569 1077729308 /nfs/dbraw/zinc/72/93/08/1077729308.db2.gz GKJYLKIPLRZKIK-OAQYLSRUSA-N 1 2 417.550 2.328 20 0 HEADLO CC[N@H+](C)[C@@H](C(=O)OCC(=O)NC(=O)Nc1ccc2c(c1)OCO2)c1ccccc1 ZINC000745098063 1077729868 /nfs/dbraw/zinc/72/98/68/1077729868.db2.gz QQTXIZWGMYFXDD-LJQANCHMSA-N 1 2 413.430 2.300 20 0 HEADLO CC[N@@H+](C)[C@@H](C(=O)OCC(=O)NC(=O)Nc1ccc2c(c1)OCO2)c1ccccc1 ZINC000745098063 1077729873 /nfs/dbraw/zinc/72/98/73/1077729873.db2.gz QQTXIZWGMYFXDD-LJQANCHMSA-N 1 2 413.430 2.300 20 0 HEADLO CCOC(=O)C1CCN(C(=O)[C@H](C)OC(=O)[C@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC000745101956 1077731346 /nfs/dbraw/zinc/73/13/46/1077731346.db2.gz YIEWLNZLNYVPFR-LPHOPBHVSA-N 1 2 404.507 2.413 20 0 HEADLO CCOC(=O)C1CCN(C(=O)[C@H](C)OC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC000745101956 1077731353 /nfs/dbraw/zinc/73/13/53/1077731353.db2.gz YIEWLNZLNYVPFR-LPHOPBHVSA-N 1 2 404.507 2.413 20 0 HEADLO CC[N@@H+]1CCCC[C@H]1C(=O)OCC(=O)NC1CCN(C(=O)C2CCCCC2)CC1 ZINC000745084527 1077736164 /nfs/dbraw/zinc/73/61/64/1077736164.db2.gz UPLQEOPYOLINBW-IBGZPJMESA-N 1 2 407.555 2.092 20 0 HEADLO CC[N@H+]1CCCC[C@H]1C(=O)OCC(=O)NC1CCN(C(=O)C2CCCCC2)CC1 ZINC000745084527 1077736172 /nfs/dbraw/zinc/73/61/72/1077736172.db2.gz UPLQEOPYOLINBW-IBGZPJMESA-N 1 2 407.555 2.092 20 0 HEADLO CCOc1ccc(-n2ncc(C(=O)NCc3ccc(-n4cc[nH+]c4)cc3)c2C)nn1 ZINC000745391871 1077821430 /nfs/dbraw/zinc/82/14/30/1077821430.db2.gz DBMFXPZSHNNZLR-UHFFFAOYSA-N 1 2 403.446 2.485 20 0 HEADLO COc1cc(C)c(C[NH+]2CCN(C(=O)COC(=O)C[C@H](C)SC)CC2)cc1OC ZINC000766922648 1079506125 /nfs/dbraw/zinc/50/61/25/1079506125.db2.gz ZOKTWOVMBXHAJH-INIZCTEOSA-N 1 2 424.563 2.341 20 0 HEADLO COC(=O)c1cccc([C@H](C(=O)OC)[N@@H+]2CCC[C@@H]2C[C@@H](O)c2cnn(C)c2)c1 ZINC000766957879 1079521979 /nfs/dbraw/zinc/52/19/79/1079521979.db2.gz NBOCYJPWQKGOAV-GUDVDZBRSA-N 1 2 401.463 2.009 20 0 HEADLO COC(=O)c1cccc([C@H](C(=O)OC)[N@H+]2CCC[C@@H]2C[C@@H](O)c2cnn(C)c2)c1 ZINC000766957879 1079521989 /nfs/dbraw/zinc/52/19/89/1079521989.db2.gz NBOCYJPWQKGOAV-GUDVDZBRSA-N 1 2 401.463 2.009 20 0 HEADLO CCc1nnc(C[N@@H+]2CCC[C@H](CNC(=O)[C@H]3CCCN3C(=O)OC(C)(C)C)C2)[nH]1 ZINC000771769844 1079523632 /nfs/dbraw/zinc/52/36/32/1079523632.db2.gz VFBGTZHWJXIYKQ-HZPDHXFCSA-N 1 2 420.558 2.095 20 0 HEADLO CCc1nnc(C[N@H+]2CCC[C@H](CNC(=O)[C@H]3CCCN3C(=O)OC(C)(C)C)C2)[nH]1 ZINC000771769844 1079523637 /nfs/dbraw/zinc/52/36/37/1079523637.db2.gz VFBGTZHWJXIYKQ-HZPDHXFCSA-N 1 2 420.558 2.095 20 0 HEADLO CC(C)(C)OC(=O)NC[C@](C)([NH2+]CC1=Nc2ccccc2S(=O)(=O)N1)C1CC1 ZINC000766937121 1079527281 /nfs/dbraw/zinc/52/72/81/1079527281.db2.gz AQISBEICMYDIEM-IBGZPJMESA-N 1 2 408.524 2.292 20 0 HEADLO CC(C)(C)OC(=O)NCc1cc(C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)ccn1 ZINC000766977942 1079573648 /nfs/dbraw/zinc/57/36/48/1079573648.db2.gz WHODZZLIUQUBNF-GOSISDBHSA-N 1 2 404.511 2.043 20 0 HEADLO O=C(CCCNS(=O)(=O)c1ccc(Cl)c(Cl)c1)OCCn1cc[nH+]c1 ZINC000771892508 1079579433 /nfs/dbraw/zinc/57/94/33/1079579433.db2.gz CAAPKEKXFWHEJS-UHFFFAOYSA-N 1 2 406.291 2.492 20 0 HEADLO Cn1ccnc1[C@H](O)C1CCN(C(=O)NCc2ccccc2Cn2cc[nH+]c2)CC1 ZINC000771953193 1079600184 /nfs/dbraw/zinc/60/01/84/1079600184.db2.gz PCMLPMZKVJHNJO-HXUWFJFHSA-N 1 2 408.506 2.320 20 0 HEADLO CC(C)(C)OC(=O)N1CCSC[C@@H]1CC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000771998892 1079640548 /nfs/dbraw/zinc/64/05/48/1079640548.db2.gz PAPICILMZYVZJZ-INIZCTEOSA-N 1 2 406.552 2.473 20 0 HEADLO CC(C)(C)OC(=O)N1CCSC[C@H]1CC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000771998893 1079640877 /nfs/dbraw/zinc/64/08/77/1079640877.db2.gz PAPICILMZYVZJZ-MRXNPFEDSA-N 1 2 406.552 2.473 20 0 HEADLO Cc1n[nH]c(C)c1[C@@H](C)CC(=O)OCC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000772032092 1079657644 /nfs/dbraw/zinc/65/76/44/1079657644.db2.gz UOQBDCJOCNZEAX-AWEZNQCLSA-N 1 2 404.536 2.469 20 0 HEADLO COc1ccc(OC)c([C@@H]2CCCN2C(=O)COC(=O)C[N@H+](C)[C@H]2CCSC2)c1 ZINC000767110879 1079662739 /nfs/dbraw/zinc/66/27/39/1079662739.db2.gz IXOFCSSLHUXING-YJBOKZPZSA-N 1 2 422.547 2.348 20 0 HEADLO COc1ccc(OC)c([C@@H]2CCCN2C(=O)COC(=O)C[N@@H+](C)[C@H]2CCSC2)c1 ZINC000767110879 1079662770 /nfs/dbraw/zinc/66/27/70/1079662770.db2.gz IXOFCSSLHUXING-YJBOKZPZSA-N 1 2 422.547 2.348 20 0 HEADLO C[N@H+](CC(=O)OCC(=O)NCc1ccc(OC(F)(F)F)cc1)[C@H]1CCSC1 ZINC000767109090 1079663120 /nfs/dbraw/zinc/66/31/20/1079663120.db2.gz CXMYTRXBHDSQDP-ZDUSSCGKSA-N 1 2 406.426 2.182 20 0 HEADLO C[N@@H+](CC(=O)OCC(=O)NCc1ccc(OC(F)(F)F)cc1)[C@H]1CCSC1 ZINC000767109090 1079663125 /nfs/dbraw/zinc/66/31/25/1079663125.db2.gz CXMYTRXBHDSQDP-ZDUSSCGKSA-N 1 2 406.426 2.182 20 0 HEADLO Cc1cc(NC(=O)COC(=O)C[N@@H+](C)[C@@H]2CCSC2)n(-c2ccccc2F)n1 ZINC000767110069 1079664328 /nfs/dbraw/zinc/66/43/28/1079664328.db2.gz GQESNCZDGYBIRO-CQSZACIVSA-N 1 2 406.483 2.239 20 0 HEADLO Cc1cc(NC(=O)COC(=O)C[N@H+](C)[C@@H]2CCSC2)n(-c2ccccc2F)n1 ZINC000767110069 1079664349 /nfs/dbraw/zinc/66/43/49/1079664349.db2.gz GQESNCZDGYBIRO-CQSZACIVSA-N 1 2 406.483 2.239 20 0 HEADLO C[N@H+](CC(=O)O[C@H](C(N)=O)c1ccc(Br)cc1F)[C@H]1CCSC1 ZINC000767112673 1079665338 /nfs/dbraw/zinc/66/53/38/1079665338.db2.gz RWRSFDKFTFHOIN-HZMBPMFUSA-N 1 2 405.289 2.095 20 0 HEADLO C[N@@H+](CC(=O)O[C@H](C(N)=O)c1ccc(Br)cc1F)[C@H]1CCSC1 ZINC000767112673 1079665360 /nfs/dbraw/zinc/66/53/60/1079665360.db2.gz RWRSFDKFTFHOIN-HZMBPMFUSA-N 1 2 405.289 2.095 20 0 HEADLO COc1ccc([C@H]2CCCN2C(=O)COC(=O)C[N@H+](C)[C@@H]2CCSC2)cc1OC ZINC000767113569 1079667128 /nfs/dbraw/zinc/66/71/28/1079667128.db2.gz WKEVZQCLDAVLRX-IAGOWNOFSA-N 1 2 422.547 2.348 20 0 HEADLO COc1ccc([C@H]2CCCN2C(=O)COC(=O)C[N@@H+](C)[C@@H]2CCSC2)cc1OC ZINC000767113569 1079667134 /nfs/dbraw/zinc/66/71/34/1079667134.db2.gz WKEVZQCLDAVLRX-IAGOWNOFSA-N 1 2 422.547 2.348 20 0 HEADLO C[C@H](OC(=O)C[N@H+](C)[C@H]1CCSC1)C(=O)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000772049882 1079671439 /nfs/dbraw/zinc/67/14/39/1079671439.db2.gz UCWUDNKOXMFCHB-JQWIXIFHSA-N 1 2 402.419 2.316 20 0 HEADLO C[C@H](OC(=O)C[N@@H+](C)[C@H]1CCSC1)C(=O)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000772049882 1079671449 /nfs/dbraw/zinc/67/14/49/1079671449.db2.gz UCWUDNKOXMFCHB-JQWIXIFHSA-N 1 2 402.419 2.316 20 0 HEADLO COc1ccc(CN(C)C(=O)[C@H](C)OC(=O)C[N@H+](C)[C@@H]2CCSC2)cc1OC ZINC000767115004 1079684096 /nfs/dbraw/zinc/68/40/96/1079684096.db2.gz GMLSPVLIURLGQV-GOEBONIOSA-N 1 2 410.536 2.031 20 0 HEADLO COc1ccc(CN(C)C(=O)[C@H](C)OC(=O)C[N@@H+](C)[C@@H]2CCSC2)cc1OC ZINC000767115004 1079684110 /nfs/dbraw/zinc/68/41/10/1079684110.db2.gz GMLSPVLIURLGQV-GOEBONIOSA-N 1 2 410.536 2.031 20 0 HEADLO Cc1cc(N2CCC(c3nnc[nH]3)CC2)nc([C@H](C)[NH+]2CCC(c3nnc[nH]3)CC2)n1 ZINC000767116527 1079685043 /nfs/dbraw/zinc/68/50/43/1079685043.db2.gz AITAVBSDBHUQMT-HNNXBMFYSA-N 1 2 422.541 2.346 20 0 HEADLO Cc1n[nH]c(C)c1[C@@H](C)CC(=O)OCC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000772031821 1079687735 /nfs/dbraw/zinc/68/77/35/1079687735.db2.gz NUKKMGOMZYKXRV-AWEZNQCLSA-N 1 2 404.536 2.469 20 0 HEADLO Cc1n[nH]c(C)c1[C@H](C)CC(=O)OCC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000772031823 1079687749 /nfs/dbraw/zinc/68/77/49/1079687749.db2.gz NUKKMGOMZYKXRV-CQSZACIVSA-N 1 2 404.536 2.469 20 0 HEADLO CC(C)[C@H](NC(=O)COC(=O)C[N@H+](C)[C@@H]1CCSC1)c1ccc2c(c1)OCCO2 ZINC000772061954 1079705117 /nfs/dbraw/zinc/70/51/17/1079705117.db2.gz OVSYSLFZTIHSAG-IERDGZPVSA-N 1 2 422.547 2.252 20 0 HEADLO CC(C)[C@H](NC(=O)COC(=O)C[N@@H+](C)[C@@H]1CCSC1)c1ccc2c(c1)OCCO2 ZINC000772061954 1079705125 /nfs/dbraw/zinc/70/51/25/1079705125.db2.gz OVSYSLFZTIHSAG-IERDGZPVSA-N 1 2 422.547 2.252 20 0 HEADLO CCN(CC)C(=O)OC[C@H]1CCCC[N@@H+]1CC(=O)NC(=O)NCc1ccccc1 ZINC001170038953 1079718579 /nfs/dbraw/zinc/71/85/79/1079718579.db2.gz JUMMHFYMYVNPHM-GOSISDBHSA-N 1 2 404.511 2.345 20 0 HEADLO CCN(CC)C(=O)OC[C@H]1CCCC[N@H+]1CC(=O)NC(=O)NCc1ccccc1 ZINC001170038953 1079718592 /nfs/dbraw/zinc/71/85/92/1079718592.db2.gz JUMMHFYMYVNPHM-GOSISDBHSA-N 1 2 404.511 2.345 20 0 HEADLO COCCN(CCNC(=O)NC1CCN(c2cccc[nH+]2)CC1)C(=O)OC(C)(C)C ZINC000767205825 1079735573 /nfs/dbraw/zinc/73/55/73/1079735573.db2.gz VJHPPDTUNQSDOR-UHFFFAOYSA-N 1 2 421.542 2.233 20 0 HEADLO CCc1nn(C)c(Cl)c1C(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000767209147 1079737801 /nfs/dbraw/zinc/73/78/01/1079737801.db2.gz JLOLOWLFBPLINU-UHFFFAOYSA-N 1 2 403.914 2.469 20 0 HEADLO O=C(CCS(=O)(=O)NC1CCN(c2cccc[nH+]2)CC1)OCc1ccccc1 ZINC000767243216 1079763372 /nfs/dbraw/zinc/76/33/72/1079763372.db2.gz MLEHQDMINBYYRW-UHFFFAOYSA-N 1 2 403.504 2.103 20 0 HEADLO C[C@@H](NS(=O)(=O)CCC(=O)OCc1ccccc1)C1([NH+]2CCOCC2)CCCC1 ZINC000767292843 1079793169 /nfs/dbraw/zinc/79/31/69/1079793169.db2.gz UVMJAWYEZRYUMY-GOSISDBHSA-N 1 2 424.563 2.073 20 0 HEADLO COc1cc(NC(=O)[C@H]2C[C@H]2C)c(C(=O)OCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)cc1OC ZINC000767411682 1079837677 /nfs/dbraw/zinc/83/76/77/1079837677.db2.gz WTBMRCIJEXDVDL-WCVJEAGWSA-N 1 2 418.490 2.318 20 0 HEADLO COc1cc(NC(=O)[C@H]2C[C@H]2C)c(C(=O)OCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)cc1OC ZINC000767411682 1079837679 /nfs/dbraw/zinc/83/76/79/1079837679.db2.gz WTBMRCIJEXDVDL-WCVJEAGWSA-N 1 2 418.490 2.318 20 0 HEADLO O=C1O[C@@H](Cn2nnc([C@H]3C[N@H+](Cc4ccccc4)CCO3)n2)CN1c1ccccc1 ZINC000767391794 1079843246 /nfs/dbraw/zinc/84/32/46/1079843246.db2.gz GOIHMPNHFJNZNB-WOJBJXKFSA-N 1 2 420.473 2.272 20 0 HEADLO O=C1O[C@@H](Cn2nnc([C@H]3C[N@@H+](Cc4ccccc4)CCO3)n2)CN1c1ccccc1 ZINC000767391794 1079843249 /nfs/dbraw/zinc/84/32/49/1079843249.db2.gz GOIHMPNHFJNZNB-WOJBJXKFSA-N 1 2 420.473 2.272 20 0 HEADLO CN(C)c1cc(COC(=O)c2ccc3c(c2)SC2=NS(=O)(=O)CCN32)cc[nH+]1 ZINC000767400790 1079848266 /nfs/dbraw/zinc/84/82/66/1079848266.db2.gz DEBJGNMXLNUJHF-UHFFFAOYSA-N 1 2 418.500 2.116 20 0 HEADLO O=C(OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000767428828 1079858938 /nfs/dbraw/zinc/85/89/38/1079858938.db2.gz FGQUDTSAMQFIGC-KDURUIRLSA-N 1 2 422.547 2.271 20 0 HEADLO O=C(OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000767428828 1079858939 /nfs/dbraw/zinc/85/89/39/1079858939.db2.gz FGQUDTSAMQFIGC-KDURUIRLSA-N 1 2 422.547 2.271 20 0 HEADLO Cc1cccn2cc(CCNC(=O)c3ccc(F)c(S(=O)(=O)N(C)C)c3)[nH+]c12 ZINC000746540374 1079875151 /nfs/dbraw/zinc/87/51/51/1079875151.db2.gz SHABYDWJYMPXRE-UHFFFAOYSA-N 1 2 404.467 2.005 20 0 HEADLO O=C(OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)[C@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000767476171 1079894887 /nfs/dbraw/zinc/89/48/87/1079894887.db2.gz LIWIJWKYIZMTRJ-SOUVJXGZSA-N 1 2 423.307 2.208 20 0 HEADLO O=C(OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)[C@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000767476171 1079894890 /nfs/dbraw/zinc/89/48/90/1079894890.db2.gz LIWIJWKYIZMTRJ-SOUVJXGZSA-N 1 2 423.307 2.208 20 0 HEADLO O=C(Cc1ccc(F)cc1)N1CCC[C@@H](C(=O)OCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000767505681 1079909316 /nfs/dbraw/zinc/90/93/16/1079909316.db2.gz LPNKPQZGKWOIRT-RLLQIKCJSA-N 1 2 404.482 2.013 20 0 HEADLO O=C(Cc1ccc(F)cc1)N1CCC[C@@H](C(=O)OCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000767505681 1079909323 /nfs/dbraw/zinc/90/93/23/1079909323.db2.gz LPNKPQZGKWOIRT-RLLQIKCJSA-N 1 2 404.482 2.013 20 0 HEADLO O=C(CCOc1ccccc1)N1CCC[C@@H](C(=O)OCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000767515891 1079914713 /nfs/dbraw/zinc/91/47/13/1079914713.db2.gz SQXIVMMGLLGWJG-NRSPTQNISA-N 1 2 416.518 2.101 20 0 HEADLO O=C(CCOc1ccccc1)N1CCC[C@@H](C(=O)OCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000767515891 1079914724 /nfs/dbraw/zinc/91/47/24/1079914724.db2.gz SQXIVMMGLLGWJG-NRSPTQNISA-N 1 2 416.518 2.101 20 0 HEADLO CCOc1cc(NC2CC[NH+](CN3C(=O)CC4(CCCCC4)C3=O)CC2)ncn1 ZINC000767522661 1079917999 /nfs/dbraw/zinc/91/79/99/1079917999.db2.gz HLEDABXHMZUULK-UHFFFAOYSA-N 1 2 401.511 2.419 20 0 HEADLO O=C(Cc1csc(-c2ccc3c(c2)OCO3)n1)OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000767527249 1079919494 /nfs/dbraw/zinc/91/94/94/1079919494.db2.gz QNHCQPFUZULJIX-IYBDPMFKSA-N 1 2 402.472 2.488 20 0 HEADLO O=C(Cc1csc(-c2ccc3c(c2)OCO3)n1)OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000767527249 1079919503 /nfs/dbraw/zinc/91/95/03/1079919503.db2.gz QNHCQPFUZULJIX-IYBDPMFKSA-N 1 2 402.472 2.488 20 0 HEADLO CCOc1cc(NC2CC[NH+](CN3C(=O)N[C@](CC)(C(C)C)C3=O)CC2)ncn1 ZINC000767526144 1079919632 /nfs/dbraw/zinc/91/96/32/1079919632.db2.gz WKNYIZRCXMBDDU-HXUWFJFHSA-N 1 2 404.515 2.066 20 0 HEADLO COC(=O)c1ccc([C@@H](C)OC(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)o1 ZINC000767535201 1079935390 /nfs/dbraw/zinc/93/53/90/1079935390.db2.gz DBDHLGDPSAJEAF-OAHLLOKOSA-N 1 2 415.446 2.194 20 0 HEADLO CC[C@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000767542307 1079946458 /nfs/dbraw/zinc/94/64/58/1079946458.db2.gz FFKDDNFFEURCCS-VRXWPRPYSA-N 1 2 400.519 2.392 20 0 HEADLO CC[C@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000767542307 1079946477 /nfs/dbraw/zinc/94/64/77/1079946477.db2.gz FFKDDNFFEURCCS-VRXWPRPYSA-N 1 2 400.519 2.392 20 0 HEADLO O=C(OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccc(I)c(O)c1 ZINC000767594857 1079994296 /nfs/dbraw/zinc/99/42/96/1079994296.db2.gz BYQMEMDOLBMOGJ-TXEJJXNPSA-N 1 2 403.216 2.017 20 0 HEADLO O=C(OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccc(I)c(O)c1 ZINC000767594857 1079994314 /nfs/dbraw/zinc/99/43/14/1079994314.db2.gz BYQMEMDOLBMOGJ-TXEJJXNPSA-N 1 2 403.216 2.017 20 0 HEADLO CN(C)c1cc(COC(=O)CCNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)cc[nH+]1 ZINC000767599310 1079997503 /nfs/dbraw/zinc/99/75/03/1079997503.db2.gz TVARCUFYOLPCFM-INIZCTEOSA-N 1 2 420.510 2.097 20 0 HEADLO C[C@H]([C@H](C)NC(=O)N(C1CC1)[C@H]1CCN(C(=O)OC(C)(C)C)C1)[NH+]1CCOCC1 ZINC000772602092 1080003191 /nfs/dbraw/zinc/00/31/91/1080003191.db2.gz SDPFRUFHPNURRR-JZXOWHBKSA-N 1 2 410.559 2.279 20 0 HEADLO Cn1cc[nH+]c1[C@@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)C(F)(F)F)cc2)C1 ZINC000767655961 1080023246 /nfs/dbraw/zinc/02/32/46/1080023246.db2.gz XITNBZYXBUAEOK-GFCCVEGCSA-N 1 2 416.425 2.489 20 0 HEADLO CS(=O)(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccnn2-c2cc[nH+]cc2)c1 ZINC000767716448 1080048629 /nfs/dbraw/zinc/04/86/29/1080048629.db2.gz MHLFKQPAQPSRBU-UHFFFAOYSA-N 1 2 412.880 2.125 20 0 HEADLO COc1cc(C(=O)OCC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)c(F)cc1N ZINC000767723210 1080053001 /nfs/dbraw/zinc/05/30/01/1080053001.db2.gz ZPRMJCCZPZQLRT-UHFFFAOYSA-N 1 2 417.437 2.044 20 0 HEADLO Cc1cc(N2CCN(C(=O)COC(=O)c3cccc4n[nH]cc43)CC2)nc(C(C)C)[nH+]1 ZINC000785588021 1080063225 /nfs/dbraw/zinc/06/32/25/1080063225.db2.gz QPMYXJMPQZLDRX-UHFFFAOYSA-N 1 2 422.489 2.290 20 0 HEADLO C[C@@H](C(=O)N(C)c1ccccc1)[NH+]1CCN(c2ccc(NS(C)(=O)=O)cc2)CC1 ZINC000767755206 1080071052 /nfs/dbraw/zinc/07/10/52/1080071052.db2.gz YILSQVICTQLVSU-KRWDZBQOSA-N 1 2 416.547 2.232 20 0 HEADLO CCOC1CC(CNC(=O)NCc2nc3ccccc3n2CC)([NH+]2CCOCC2)C1 ZINC000767760746 1080075043 /nfs/dbraw/zinc/07/50/43/1080075043.db2.gz SMYNONJWMPUKBL-UHFFFAOYSA-N 1 2 415.538 2.125 20 0 HEADLO CSC[C@@H]1CCC[N@@H+]1Cn1nc(N2CCOCC2)n(C[C@@H]2CCCO2)c1=S ZINC000767771157 1080079156 /nfs/dbraw/zinc/07/91/56/1080079156.db2.gz OYJDJVRYNIQMDU-HOTGVXAUSA-N 1 2 413.613 2.215 20 0 HEADLO CSC[C@@H]1CCC[N@H+]1Cn1nc(N2CCOCC2)n(C[C@@H]2CCCO2)c1=S ZINC000767771157 1080079164 /nfs/dbraw/zinc/07/91/64/1080079164.db2.gz OYJDJVRYNIQMDU-HOTGVXAUSA-N 1 2 413.613 2.215 20 0 HEADLO Cc1cccc(NC(=O)C[NH+]2CCN(c3ccc(NS(C)(=O)=O)cc3)CC2)c1 ZINC000767753345 1080086232 /nfs/dbraw/zinc/08/62/32/1080086232.db2.gz YJJUJJGZVDSOMW-UHFFFAOYSA-N 1 2 402.520 2.127 20 0 HEADLO COc1cccc([C@@H]2CN(C(=O)C3CCN(C(=O)[C@@H](C)CSC)CC3)CC[NH2+]2)c1 ZINC001169975264 1080087688 /nfs/dbraw/zinc/08/76/88/1080087688.db2.gz PIKUYYIRCSXXNF-JXFKEZNVSA-N 1 2 419.591 2.406 20 0 HEADLO O=C(COC(=O)c1cccc(-c2nc[nH]n2)c1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000767807423 1080093392 /nfs/dbraw/zinc/09/33/92/1080093392.db2.gz YHZXYTTZLNDNAY-UHFFFAOYSA-N 1 2 411.487 2.034 20 0 HEADLO O=C(OCc1cc2ccccc2nc1Cl)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000785655514 1080176683 /nfs/dbraw/zinc/17/66/83/1080176683.db2.gz IGXHCXPSLUASRY-INIZCTEOSA-N 1 2 417.893 2.112 20 0 HEADLO O=C(OCc1cc2ccccc2c(Cl)n1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000785657045 1080177873 /nfs/dbraw/zinc/17/78/73/1080177873.db2.gz MMXDXVPGIDVFNX-MRXNPFEDSA-N 1 2 417.893 2.112 20 0 HEADLO O=C(OCCc1cc(Cl)ccc1Cl)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000785658495 1080179892 /nfs/dbraw/zinc/17/98/92/1080179892.db2.gz DEUACOPAYYWMDW-OAHLLOKOSA-N 1 2 415.317 2.260 20 0 HEADLO COCCN(CCNC(=O)N1CCC[C@H](c2[nH+]ccn2C)C1)C(=O)OC(C)(C)C ZINC000767857713 1080181651 /nfs/dbraw/zinc/18/16/51/1080181651.db2.gz MAADSMIRIGUUCW-INIZCTEOSA-N 1 2 409.531 2.193 20 0 HEADLO O=C(OCc1csc(-c2ccsc2)n1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000785662933 1080184122 /nfs/dbraw/zinc/18/41/22/1080184122.db2.gz UYCVUERKOIXQLW-HNNXBMFYSA-N 1 2 421.544 2.096 20 0 HEADLO O=C(OCc1cc(Cl)ccc1Cl)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000785665744 1080186207 /nfs/dbraw/zinc/18/62/07/1080186207.db2.gz YHMLYFBCNSSMFU-ZDUSSCGKSA-N 1 2 401.290 2.217 20 0 HEADLO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)OCC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000785731508 1080205267 /nfs/dbraw/zinc/20/52/67/1080205267.db2.gz XNHZTGSKKJZJRN-HZPDHXFCSA-N 1 2 408.520 2.070 20 0 HEADLO CCOC(=O)C1C(COC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)=NC(=O)N[C@@H]1c1ccccc1 ZINC000785736331 1080208966 /nfs/dbraw/zinc/20/89/66/1080208966.db2.gz XYGHDNTUSMOSEF-QEEYODRMSA-N 1 2 415.490 2.274 20 0 HEADLO CCOC(=O)C1C(COC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)=NC(=O)N[C@@H]1c1ccccc1 ZINC000785736331 1080208973 /nfs/dbraw/zinc/20/89/73/1080208973.db2.gz XYGHDNTUSMOSEF-QEEYODRMSA-N 1 2 415.490 2.274 20 0 HEADLO CCOC(=O)C1C(C[N@@H+]2CCS[C@@H]3COCC[C@@H]32)=NC(=O)N[C@@H]1c1ccccc1 ZINC000767911219 1080224376 /nfs/dbraw/zinc/22/43/76/1080224376.db2.gz HVZGFZMMHKXVDL-YQVWRLOYSA-N 1 2 417.531 2.064 20 0 HEADLO CCOC(=O)C1C(C[N@H+]2CCS[C@@H]3COCC[C@@H]32)=NC(=O)N[C@@H]1c1ccccc1 ZINC000767911219 1080224383 /nfs/dbraw/zinc/22/43/83/1080224383.db2.gz HVZGFZMMHKXVDL-YQVWRLOYSA-N 1 2 417.531 2.064 20 0 HEADLO CCOC(=O)C1=C(C[N@@H+]2CCS[C@@H]3COCC[C@@H]32)NC(=O)N[C@@H]1c1ccccc1 ZINC000767911219 1080224392 /nfs/dbraw/zinc/22/43/92/1080224392.db2.gz HVZGFZMMHKXVDL-YQVWRLOYSA-N 1 2 417.531 2.064 20 0 HEADLO CCOC(=O)C1=C(C[N@H+]2CCS[C@@H]3COCC[C@@H]32)NC(=O)N[C@@H]1c1ccccc1 ZINC000767911219 1080224400 /nfs/dbraw/zinc/22/44/00/1080224400.db2.gz HVZGFZMMHKXVDL-YQVWRLOYSA-N 1 2 417.531 2.064 20 0 HEADLO CC[C@H]1c2ccsc2CCN1C(=O)C[N@H+](CCO)CCNC(=O)OC(C)(C)C ZINC000767930930 1080229019 /nfs/dbraw/zinc/22/90/19/1080229019.db2.gz LWXDYEGFPLVUKM-INIZCTEOSA-N 1 2 411.568 2.403 20 0 HEADLO CC[C@H]1c2ccsc2CCN1C(=O)C[N@@H+](CCO)CCNC(=O)OC(C)(C)C ZINC000767930930 1080229030 /nfs/dbraw/zinc/22/90/30/1080229030.db2.gz LWXDYEGFPLVUKM-INIZCTEOSA-N 1 2 411.568 2.403 20 0 HEADLO O=C(C[NH+]1CCC(NC(=O)[C@]2(O)CCc3ccccc3C2)CC1)Nc1ccccc1 ZINC000785751875 1080231981 /nfs/dbraw/zinc/23/19/81/1080231981.db2.gz PJJYVIPGGWZSNQ-DEOSSOPVSA-N 1 2 407.514 2.126 20 0 HEADLO CCOc1ccnc(N2CCCN(C(=O)NCc3ccc(-n4cc[nH+]c4)cc3)CC2)n1 ZINC000767940743 1080233943 /nfs/dbraw/zinc/23/39/43/1080233943.db2.gz WLBHXFAVFNMZGO-UHFFFAOYSA-N 1 2 421.505 2.483 20 0 HEADLO CC(=O)[C@@H]1CCCC[N@@H+]1[C@@H]1C[C@@H](C(=O)N2CCSC2)N(C(=O)OC(C)(C)C)C1 ZINC001170049891 1080234678 /nfs/dbraw/zinc/23/46/78/1080234678.db2.gz GRCMRVBISWSZBV-IKGGRYGDSA-N 1 2 411.568 2.341 20 0 HEADLO CC(=O)[C@@H]1CCCC[N@H+]1[C@@H]1C[C@@H](C(=O)N2CCSC2)N(C(=O)OC(C)(C)C)C1 ZINC001170049891 1080234688 /nfs/dbraw/zinc/23/46/88/1080234688.db2.gz GRCMRVBISWSZBV-IKGGRYGDSA-N 1 2 411.568 2.341 20 0 HEADLO CCn1ncnc1C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000785768720 1080239550 /nfs/dbraw/zinc/23/95/50/1080239550.db2.gz PRLKVCNRUMFWCC-IRXDYDNUSA-N 1 2 420.558 2.026 20 0 HEADLO CCn1ncnc1C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000785768720 1080239558 /nfs/dbraw/zinc/23/95/58/1080239558.db2.gz PRLKVCNRUMFWCC-IRXDYDNUSA-N 1 2 420.558 2.026 20 0 HEADLO COc1cccc([C@H](CNC(=O)N(CCS(C)(=O)=O)C(C)C)[NH+]2CCCC2)c1 ZINC000768020762 1080286691 /nfs/dbraw/zinc/28/66/91/1080286691.db2.gz FDMQXESNIWWSFA-IBGZPJMESA-N 1 2 411.568 2.297 20 0 HEADLO C[N@@H+]1CCO[C@H]([C@@H](NC(=O)N2CCCC3(C2)OCCO3)c2ccc(Cl)cc2)C1 ZINC000768103689 1080340172 /nfs/dbraw/zinc/34/01/72/1080340172.db2.gz VNRJIPZYMJOVHO-ROUUACIJSA-N 1 2 409.914 2.260 20 0 HEADLO C[N@H+]1CCO[C@H]([C@@H](NC(=O)N2CCCC3(C2)OCCO3)c2ccc(Cl)cc2)C1 ZINC000768103689 1080340182 /nfs/dbraw/zinc/34/01/82/1080340182.db2.gz VNRJIPZYMJOVHO-ROUUACIJSA-N 1 2 409.914 2.260 20 0 HEADLO C[N@@H+]1CCO[C@H]([C@H](NC(=O)N2CCCC3(C2)OCCO3)c2ccc(Cl)cc2)C1 ZINC000768103690 1080340218 /nfs/dbraw/zinc/34/02/18/1080340218.db2.gz VNRJIPZYMJOVHO-ZWKOTPCHSA-N 1 2 409.914 2.260 20 0 HEADLO C[N@H+]1CCO[C@H]([C@H](NC(=O)N2CCCC3(C2)OCCO3)c2ccc(Cl)cc2)C1 ZINC000768103690 1080340229 /nfs/dbraw/zinc/34/02/29/1080340229.db2.gz VNRJIPZYMJOVHO-ZWKOTPCHSA-N 1 2 409.914 2.260 20 0 HEADLO COCCOc1ccc(-n2nc(C)c(C(=O)N3CCC[C@H](c4[nH+]ccn4C)C3)n2)cc1 ZINC000768129196 1080363737 /nfs/dbraw/zinc/36/37/37/1080363737.db2.gz QYZCXSURJHHDBO-KRWDZBQOSA-N 1 2 424.505 2.354 20 0 HEADLO COC(=O)CCc1cccc(NC(=O)C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)c1 ZINC000786288183 1080533989 /nfs/dbraw/zinc/53/39/89/1080533989.db2.gz PQXLEKINIVQPON-UHFFFAOYSA-N 1 2 424.501 2.432 20 0 HEADLO CC(C)(C)OC(=O)Nc1ccc(C[NH+]2CCN(c3ccc(C(N)=O)cn3)CC2)cn1 ZINC000768386476 1080536880 /nfs/dbraw/zinc/53/68/80/1080536880.db2.gz YBTPAVPQVVLVTE-UHFFFAOYSA-N 1 2 412.494 2.245 20 0 HEADLO COC(=O)CCc1cccc(NC(=O)C(=O)N2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000786315155 1080559713 /nfs/dbraw/zinc/55/97/13/1080559713.db2.gz QBYBTFAIDBVMAK-GOSISDBHSA-N 1 2 423.513 2.464 20 0 HEADLO COC(=O)CCc1cccc(NC(=O)C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000786315155 1080559721 /nfs/dbraw/zinc/55/97/21/1080559721.db2.gz QBYBTFAIDBVMAK-GOSISDBHSA-N 1 2 423.513 2.464 20 0 HEADLO CCc1ccc([C@@]2(CC)NC(=O)N(C[NH+]3CCC(N(C)C(C)=O)CC3)C2=O)cc1 ZINC000768483097 1080576993 /nfs/dbraw/zinc/57/69/93/1080576993.db2.gz HKONLYRMAOSFFT-JOCHJYFZSA-N 1 2 400.523 2.306 20 0 HEADLO COC(=O)CC1(CC(=O)OCC(=O)N2CC[NH+](Cc3cccs3)CC2)CCCC1 ZINC000786405585 1080587946 /nfs/dbraw/zinc/58/79/46/1080587946.db2.gz ZPYQLJLZRBBDLC-UHFFFAOYSA-N 1 2 422.547 2.449 20 0 HEADLO CCc1ccc([C@]2(CC)NC(=O)N(C[N@@H+]3CC[C@@H](CN4CCOCC4)C3)C2=O)cc1 ZINC000768497335 1080593297 /nfs/dbraw/zinc/59/32/97/1080593297.db2.gz UMKGCSSSOWYCHE-CVDCTZTESA-N 1 2 414.550 2.018 20 0 HEADLO CCc1ccc([C@]2(CC)NC(=O)N(C[N@H+]3CC[C@@H](CN4CCOCC4)C3)C2=O)cc1 ZINC000768497335 1080593303 /nfs/dbraw/zinc/59/33/03/1080593303.db2.gz UMKGCSSSOWYCHE-CVDCTZTESA-N 1 2 414.550 2.018 20 0 HEADLO CCOC(=O)c1ccc(Br)c(S(=O)(=O)N2C[C@@H](C)[N@H+](C)C[C@H]2C)c1 ZINC000768562574 1080632378 /nfs/dbraw/zinc/63/23/78/1080632378.db2.gz OPUZDMJCBZSPRN-VXGBXAGGSA-N 1 2 419.341 2.339 20 0 HEADLO CCOC(=O)c1ccc(Br)c(S(=O)(=O)N2C[C@@H](C)[N@@H+](C)C[C@H]2C)c1 ZINC000768562574 1080632385 /nfs/dbraw/zinc/63/23/85/1080632385.db2.gz OPUZDMJCBZSPRN-VXGBXAGGSA-N 1 2 419.341 2.339 20 0 HEADLO CC(C)[C@H](CNC(=O)C(=O)N1CCC(c2ccc(F)cc2)CC1)[NH+]1CCOCC1 ZINC000786462241 1080641477 /nfs/dbraw/zinc/64/14/77/1080641477.db2.gz HEEXPWISESRPNG-FQEVSTJZSA-N 1 2 405.514 2.005 20 0 HEADLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)C(=O)N[C@@H]1CC[C@H]2SCCS[C@@H]12 ZINC000786467787 1080645663 /nfs/dbraw/zinc/64/56/63/1080645663.db2.gz PKMILCRFBWUIMR-NUJGCVRESA-N 1 2 420.604 2.184 20 0 HEADLO C[C@@H](C[C@H]1COCCN1C(=O)OC(C)(C)C)[NH2+]c1ccc(N2CCNC(=O)C2)cc1 ZINC000768666545 1080707543 /nfs/dbraw/zinc/70/75/43/1080707543.db2.gz ULBCNEYGRQNIBL-LPHOPBHVSA-N 1 2 418.538 2.449 20 0 HEADLO Cc1cccc([C@H](O)CNC(=O)C(=O)Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)c1 ZINC000768740864 1080765496 /nfs/dbraw/zinc/76/54/96/1080765496.db2.gz ZWXNNAJIVAGPPQ-LAUBAEHRSA-N 1 2 411.502 2.177 20 0 HEADLO COC(=O)c1ccsc1N1CC[C@@H]([N@H+](C)CCN(C)C(=O)OC(C)(C)C)C1=O ZINC000768745856 1080770012 /nfs/dbraw/zinc/77/00/12/1080770012.db2.gz DFNIBHMEIAYFML-CQSZACIVSA-N 1 2 411.524 2.439 20 0 HEADLO COC(=O)c1ccsc1N1CC[C@@H]([N@@H+](C)CCN(C)C(=O)OC(C)(C)C)C1=O ZINC000768745856 1080770020 /nfs/dbraw/zinc/77/00/20/1080770020.db2.gz DFNIBHMEIAYFML-CQSZACIVSA-N 1 2 411.524 2.439 20 0 HEADLO CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)C[NH+]2CCC(c3cccnc3)CC2)C1=O ZINC000768758798 1080777324 /nfs/dbraw/zinc/77/73/24/1080777324.db2.gz RRQSMKGCFOGXLE-HSZRJFAPSA-N 1 2 421.501 2.150 20 0 HEADLO CCOC(CCNC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1)OCC ZINC000786772113 1080813437 /nfs/dbraw/zinc/81/34/37/1080813437.db2.gz JFUASVXNCLBPHB-AEFFLSMTSA-N 1 2 411.930 2.107 20 0 HEADLO CCOC(CCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1)OCC ZINC000786772113 1080813441 /nfs/dbraw/zinc/81/34/41/1080813441.db2.gz JFUASVXNCLBPHB-AEFFLSMTSA-N 1 2 411.930 2.107 20 0 HEADLO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1CN1CCN(c2cc(C)cc[nH+]2)CC1 ZINC000768892863 1080836180 /nfs/dbraw/zinc/83/61/80/1080836180.db2.gz NIGKMGFBIPAEHA-INIZCTEOSA-N 1 2 423.970 2.230 20 0 HEADLO C[C@@]1(c2ccc3c(c2)CCC3)NC(=O)N(C[N@@H+]2CCOC3(CCOCC3)CC2)C1=O ZINC000768905280 1080842311 /nfs/dbraw/zinc/84/23/11/1080842311.db2.gz JJNZUEUWHSSOGR-QFIPXVFZSA-N 1 2 413.518 2.171 20 0 HEADLO C[C@@]1(c2ccc3c(c2)CCC3)NC(=O)N(C[N@H+]2CCOC3(CCOCC3)CC2)C1=O ZINC000768905280 1080842314 /nfs/dbraw/zinc/84/23/14/1080842314.db2.gz JJNZUEUWHSSOGR-QFIPXVFZSA-N 1 2 413.518 2.171 20 0 HEADLO CC[C@@]1(c2ccc(OC)cc2)NC(=O)N(C[N@@H+]2CCOC3(CCOCC3)CC2)C1=O ZINC000768905318 1080842419 /nfs/dbraw/zinc/84/24/19/1080842419.db2.gz KMZGEHOGGYGORS-QFIPXVFZSA-N 1 2 417.506 2.081 20 0 HEADLO CC[C@@]1(c2ccc(OC)cc2)NC(=O)N(C[N@H+]2CCOC3(CCOCC3)CC2)C1=O ZINC000768905318 1080842426 /nfs/dbraw/zinc/84/24/26/1080842426.db2.gz KMZGEHOGGYGORS-QFIPXVFZSA-N 1 2 417.506 2.081 20 0 HEADLO CCCCCCOc1ccc(C[NH+]2CCN(C(=O)CN3C(=O)CCC3=O)CC2)cc1 ZINC000768919690 1080857139 /nfs/dbraw/zinc/85/71/39/1080857139.db2.gz VVLXJFSKGNSRCL-UHFFFAOYSA-N 1 2 415.534 2.439 20 0 HEADLO C[N@H+](CC(F)F)C1CCN(C(=O)c2cnn(CC(=O)NC3CCCCC3)c2)CC1 ZINC000746618090 1080870087 /nfs/dbraw/zinc/87/00/87/1080870087.db2.gz YLSOPOPNMOAUQH-UHFFFAOYSA-N 1 2 411.497 2.134 20 0 HEADLO C[N@@H+](CC(F)F)C1CCN(C(=O)c2cnn(CC(=O)NC3CCCCC3)c2)CC1 ZINC000746618090 1080870090 /nfs/dbraw/zinc/87/00/90/1080870090.db2.gz YLSOPOPNMOAUQH-UHFFFAOYSA-N 1 2 411.497 2.134 20 0 HEADLO CC(=O)Nc1ccccc1C[N@H+](C)CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000768993179 1080878994 /nfs/dbraw/zinc/87/89/94/1080878994.db2.gz WBOSFDKRMUGDDT-UHFFFAOYSA-N 1 2 404.511 2.156 20 0 HEADLO CC(=O)Nc1ccccc1C[N@@H+](C)CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000768993179 1080878998 /nfs/dbraw/zinc/87/89/98/1080878998.db2.gz WBOSFDKRMUGDDT-UHFFFAOYSA-N 1 2 404.511 2.156 20 0 HEADLO O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)OCc1ccc(OC(F)F)cc1 ZINC000786995223 1080906145 /nfs/dbraw/zinc/90/61/45/1080906145.db2.gz IRHKONMPAYZHQW-QGZVFWFLSA-N 1 2 412.433 2.045 20 0 HEADLO O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)OCc1ccc(C(F)(F)F)cc1 ZINC000786997063 1080908537 /nfs/dbraw/zinc/90/85/37/1080908537.db2.gz NWNRNVCWWPQKCL-KRWDZBQOSA-N 1 2 414.424 2.462 20 0 HEADLO C[N@H+](CC(F)F)C1CCN(C(=O)CN2C(=O)N[C@]3(CCCC(C)(C)C3)C2=O)CC1 ZINC000769146151 1080960530 /nfs/dbraw/zinc/96/05/30/1080960530.db2.gz CGEQGLIHUQGJTB-FQEVSTJZSA-N 1 2 414.497 2.065 20 0 HEADLO C[N@@H+](CC(F)F)C1CCN(C(=O)CN2C(=O)N[C@]3(CCCC(C)(C)C3)C2=O)CC1 ZINC000769146151 1080960548 /nfs/dbraw/zinc/96/05/48/1080960548.db2.gz CGEQGLIHUQGJTB-FQEVSTJZSA-N 1 2 414.497 2.065 20 0 HEADLO COC(=O)c1ccc(NC(=O)N2CC[N@H+](C)C[C@@H]2CNC(=O)OC(C)(C)C)cc1 ZINC000769237751 1081012060 /nfs/dbraw/zinc/01/20/60/1081012060.db2.gz QYMYOXXJMCMMHB-INIZCTEOSA-N 1 2 406.483 2.146 20 0 HEADLO COC(=O)c1ccc(NC(=O)N2CC[N@@H+](C)C[C@@H]2CNC(=O)OC(C)(C)C)cc1 ZINC000769237751 1081012069 /nfs/dbraw/zinc/01/20/69/1081012069.db2.gz QYMYOXXJMCMMHB-INIZCTEOSA-N 1 2 406.483 2.146 20 0 HEADLO CC(C)(C)OC(=O)NC1CC[NH+](CC(=O)NCc2nc3cc(F)ccc3[nH]2)CC1 ZINC000769249374 1081016375 /nfs/dbraw/zinc/01/63/75/1081016375.db2.gz YVULQINPQCYEOB-UHFFFAOYSA-N 1 2 405.474 2.307 20 0 HEADLO COc1c(C)c[nH+]c(CNC(=O)C(=O)NCc2ccnc(OC3CCCC3)c2)c1C ZINC000787258345 1081075415 /nfs/dbraw/zinc/07/54/15/1081075415.db2.gz PVLJBIDKGYGQHD-UHFFFAOYSA-N 1 2 412.490 2.356 20 0 HEADLO CCOc1cc(CN2CC[NH+](CC[S@](C)=O)CC2)cc(Br)c1OC ZINC000769479896 1081077663 /nfs/dbraw/zinc/07/76/63/1081077663.db2.gz JWPFZQFFQXCZEL-DEOSSOPVSA-N 1 2 419.385 2.353 20 0 HEADLO Cc1nn(Cc2ccc(F)cc2)c(Cl)c1CN(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000769469105 1081089578 /nfs/dbraw/zinc/08/95/78/1081089578.db2.gz SJORCVOTFNLCKA-GOSISDBHSA-N 1 2 410.921 2.157 20 0 HEADLO COCOc1ccc(OC)cc1C[N@H+](C)CCNS(=O)(=O)c1ccc(C)cc1 ZINC000769500349 1081098556 /nfs/dbraw/zinc/09/85/56/1081098556.db2.gz XKDNSCDOTPCBNJ-UHFFFAOYSA-N 1 2 408.520 2.397 20 0 HEADLO COCOc1ccc(OC)cc1C[N@@H+](C)CCNS(=O)(=O)c1ccc(C)cc1 ZINC000769500349 1081098568 /nfs/dbraw/zinc/09/85/68/1081098568.db2.gz XKDNSCDOTPCBNJ-UHFFFAOYSA-N 1 2 408.520 2.397 20 0 HEADLO COC(=O)c1cccc(NC(=O)C[N@H+](C2CC2)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)n1 ZINC000787270586 1081102462 /nfs/dbraw/zinc/10/24/62/1081102462.db2.gz WEWDREJIBQHDKY-OAHLLOKOSA-N 1 2 418.494 2.281 20 0 HEADLO COC(=O)c1cccc(NC(=O)C[N@@H+](C2CC2)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)n1 ZINC000787270586 1081102467 /nfs/dbraw/zinc/10/24/67/1081102467.db2.gz WEWDREJIBQHDKY-OAHLLOKOSA-N 1 2 418.494 2.281 20 0 HEADLO Cn1cc[nH+]c1[C@H](NC(=O)CCn1[nH]c(=O)c2ccccc2c1=O)c1cccc(F)c1 ZINC000024015223 558584640 /nfs/dbraw/zinc/58/46/40/558584640.db2.gz AEPSGDSSQFPASI-LJQANCHMSA-N 1 2 421.432 2.271 20 0 HEADLO NC(=O)c1cnc(Cl)nc1N1CCC2(CC1)COCC[N@@H+]2Cc1ccc(F)cc1 ZINC001164671022 719499328 /nfs/dbraw/zinc/49/93/28/719499328.db2.gz AXBJAUJIFXQSTA-UHFFFAOYSA-N 1 2 419.888 2.239 20 0 HEADLO NC(=O)c1cnc(Cl)nc1N1CCC2(CC1)COCC[N@H+]2Cc1ccc(F)cc1 ZINC001164671022 719499333 /nfs/dbraw/zinc/49/93/33/719499333.db2.gz AXBJAUJIFXQSTA-UHFFFAOYSA-N 1 2 419.888 2.239 20 0 HEADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(Cl)nc2c1CCCC2 ZINC001164705789 719845238 /nfs/dbraw/zinc/84/52/38/719845238.db2.gz VRTIVTDHLOXPAP-VBKZILBWSA-N 1 2 408.930 2.242 20 0 HEADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cnc(Cl)nc1SC ZINC001164697854 719854087 /nfs/dbraw/zinc/85/40/87/719854087.db2.gz BIHBDOPXFVVOBK-SJCJKPOMSA-N 1 2 400.932 2.085 20 0 HEADLO CCOC(=O)c1c(C)cc(N2CC[C@@H]([NH+]3CCOCC3)C[C@]2(C)C(=O)OC)nc1C ZINC001164704679 719859049 /nfs/dbraw/zinc/85/90/49/719859049.db2.gz SHNDOLJVUJIVBI-VGOFRKELSA-N 1 2 419.522 2.108 20 0 HEADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(SC)cnc1Cl ZINC001164706637 719865459 /nfs/dbraw/zinc/86/54/59/719865459.db2.gz QFNVVJZMVQBAIW-PXAZEXFGSA-N 1 2 400.932 2.085 20 0 HEADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc(-c2ccsc2)nn1 ZINC001164707445 719875532 /nfs/dbraw/zinc/87/55/32/719875532.db2.gz SPKNOYNRUMJERR-OXQOHEQNSA-N 1 2 402.520 2.438 20 0 HEADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc2c(nc1Cl)CCCC2 ZINC001164702245 719879009 /nfs/dbraw/zinc/87/90/09/719879009.db2.gz PRLAQTWHTXNYFP-VBKZILBWSA-N 1 2 408.930 2.242 20 0 HEADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nc(Cl)ncc4F)CC3)C2=O)cs1 ZINC001164823300 720357854 /nfs/dbraw/zinc/35/78/54/720357854.db2.gz DKNUSYTZKVPHNB-UHFFFAOYSA-N 1 2 424.933 2.347 20 0 HEADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nc(Cl)ncc4F)CC3)C2=O)cs1 ZINC001164823300 720357862 /nfs/dbraw/zinc/35/78/62/720357862.db2.gz DKNUSYTZKVPHNB-UHFFFAOYSA-N 1 2 424.933 2.347 20 0 HEADLO CSc1cnc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)nc1 ZINC001164820352 720373617 /nfs/dbraw/zinc/37/36/17/720373617.db2.gz OCIIHNSNBRLPHI-UHFFFAOYSA-N 1 2 418.592 2.277 20 0 HEADLO CSc1cnc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)nc1 ZINC001164820352 720373623 /nfs/dbraw/zinc/37/36/23/720373623.db2.gz OCIIHNSNBRLPHI-UHFFFAOYSA-N 1 2 418.592 2.277 20 0 HEADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ncc(Cl)cc4N)CC3)C2=O)cs1 ZINC001164819415 720377839 /nfs/dbraw/zinc/37/78/39/720377839.db2.gz DWRDAZYAMYIRDO-UHFFFAOYSA-N 1 2 420.970 2.395 20 0 HEADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ncc(Cl)cc4N)CC3)C2=O)cs1 ZINC001164819415 720377847 /nfs/dbraw/zinc/37/78/47/720377847.db2.gz DWRDAZYAMYIRDO-UHFFFAOYSA-N 1 2 420.970 2.395 20 0 HEADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1ncc(Cl)cc1F)C2 ZINC001164824923 720433081 /nfs/dbraw/zinc/43/30/81/720433081.db2.gz MPUFZKSUTPQYJV-AWEZNQCLSA-N 1 2 409.893 2.060 20 0 HEADLO Cc1cccc2c1ncnc2N1Cc2ncn(C)c2[C@H](COCC[NH+]2CCOCC2)C1 ZINC001164826341 720440520 /nfs/dbraw/zinc/44/05/20/720440520.db2.gz VVCMVXFQJBTJLF-SFHVURJKSA-N 1 2 422.533 2.124 20 0 HEADLO Cc1cccc2c1ncnc2N1Cc2ncn(C)c2[C@@H](COCC[NH+]2CCOCC2)C1 ZINC001164826338 720440601 /nfs/dbraw/zinc/44/06/01/720440601.db2.gz VVCMVXFQJBTJLF-GOSISDBHSA-N 1 2 422.533 2.124 20 0 HEADLO CC(C)Oc1cccc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164833059 720457967 /nfs/dbraw/zinc/45/79/67/720457967.db2.gz XQLXITZPGXXFQD-GOSISDBHSA-N 1 2 415.538 2.055 20 0 HEADLO O=c1cc(Cn2cc[nH+]c2)nc2n1CCCN([C@H](F)Oc1cccc(Cl)n1)C2 ZINC001164856907 720896254 /nfs/dbraw/zinc/89/62/54/720896254.db2.gz HWXYLFQRLONKCE-SFHVURJKSA-N 1 2 404.833 2.074 20 0 HEADLO Cc1nc2c(nc(Cl)nc2N2CCCn3c(C[N@@H+](C)C(C)C)nnc3C2)n1C ZINC001165009029 721712331 /nfs/dbraw/zinc/71/23/31/721712331.db2.gz NHWCEWSVQJDOTC-UHFFFAOYSA-N 1 2 403.922 2.167 20 0 HEADLO Cc1nc2c(nc(Cl)nc2N2CCCn3c(C[N@H+](C)C(C)C)nnc3C2)n1C ZINC001165009029 721712338 /nfs/dbraw/zinc/71/23/38/721712338.db2.gz NHWCEWSVQJDOTC-UHFFFAOYSA-N 1 2 403.922 2.167 20 0 HEADLO Clc1cc(Cl)c(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nn1 ZINC001164910400 721770990 /nfs/dbraw/zinc/77/09/90/721770990.db2.gz BNXUYCJRLZJKNV-GOSISDBHSA-N 1 2 410.305 2.286 20 0 HEADLO Clc1cc(Cl)c(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nn1 ZINC001164910400 721770999 /nfs/dbraw/zinc/77/09/99/721770999.db2.gz BNXUYCJRLZJKNV-GOSISDBHSA-N 1 2 410.305 2.286 20 0 HEADLO COc1nc2ccccc2nc1N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164912826 721774215 /nfs/dbraw/zinc/77/42/15/721774215.db2.gz QLPWWANVUWTWLF-HSZRJFAPSA-N 1 2 421.501 2.141 20 0 HEADLO COc1nc2ccccc2nc1N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164912826 721774217 /nfs/dbraw/zinc/77/42/17/721774217.db2.gz QLPWWANVUWTWLF-HSZRJFAPSA-N 1 2 421.501 2.141 20 0 HEADLO Cc1nc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nc2ccccc12 ZINC001164913565 721779675 /nfs/dbraw/zinc/77/96/75/721779675.db2.gz XLAVFLXSXVNPNW-QHCPKHFHSA-N 1 2 405.502 2.441 20 0 HEADLO Cc1nc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nc2ccccc12 ZINC001164913565 721779680 /nfs/dbraw/zinc/77/96/80/721779680.db2.gz XLAVFLXSXVNPNW-QHCPKHFHSA-N 1 2 405.502 2.441 20 0 HEADLO F[C@H](Oc1cccc(Cl)n1)N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164915961 721782727 /nfs/dbraw/zinc/78/27/27/721782727.db2.gz MOBLGUNFCCZGRM-VQTJNVASSA-N 1 2 422.888 2.365 20 0 HEADLO F[C@H](Oc1cccc(Cl)n1)N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164915961 721782735 /nfs/dbraw/zinc/78/27/35/721782735.db2.gz MOBLGUNFCCZGRM-VQTJNVASSA-N 1 2 422.888 2.365 20 0 HEADLO CC(C)(C)Oc1ccnc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164915184 721783959 /nfs/dbraw/zinc/78/39/59/721783959.db2.gz JOWNYMDFNQGDEK-JOCHJYFZSA-N 1 2 413.522 2.157 20 0 HEADLO CC(C)(C)Oc1ccnc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164915184 721783964 /nfs/dbraw/zinc/78/39/64/721783964.db2.gz JOWNYMDFNQGDEK-JOCHJYFZSA-N 1 2 413.522 2.157 20 0 HEADLO c1ccc(-c2cc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)ncn2)nc1 ZINC001164914245 721795295 /nfs/dbraw/zinc/79/52/95/721795295.db2.gz KYGXFQUKNVESJD-QHCPKHFHSA-N 1 2 418.501 2.041 20 0 HEADLO c1ccc(-c2cc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)ncn2)nc1 ZINC001164914245 721795297 /nfs/dbraw/zinc/79/52/97/721795297.db2.gz KYGXFQUKNVESJD-QHCPKHFHSA-N 1 2 418.501 2.041 20 0 HEADLO CCN(CC)c1cncc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)n1 ZINC001164947157 721976124 /nfs/dbraw/zinc/97/61/24/721976124.db2.gz NXVJVYXMLHWKGM-UHFFFAOYSA-N 1 2 408.550 2.294 20 0 HEADLO CCN(CC)c1cncc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)n1 ZINC001164947157 721976127 /nfs/dbraw/zinc/97/61/27/721976127.db2.gz NXVJVYXMLHWKGM-UHFFFAOYSA-N 1 2 408.550 2.294 20 0 HEADLO CN(C)c1ccc(NC(=O)CC[NH+]2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 ZINC000769662616 1078502545 /nfs/dbraw/zinc/50/25/45/1078502545.db2.gz ONSYSUWVABSXQU-UHFFFAOYSA-N 1 2 416.547 2.088 20 0 HEADLO C[C@@H]1C[NH+](C[C@H]2CCCN2S(=O)(=O)CCC(=O)OCc2ccccc2)C[C@@H](C)O1 ZINC000769758029 1078542886 /nfs/dbraw/zinc/54/28/86/1078542886.db2.gz PXTBKSVZYGUVFC-QWFCFKBJSA-N 1 2 424.563 2.023 20 0 HEADLO O=C1C(=O)N(C[N@@H+]2CCSC3(CCOCC3)C2)C(=O)N1CCC1=CCCCC1 ZINC000769775879 1078551345 /nfs/dbraw/zinc/55/13/45/1078551345.db2.gz WDQCORXXUHXZJE-UHFFFAOYSA-N 1 2 407.536 2.223 20 0 HEADLO O=C1C(=O)N(C[N@H+]2CCSC3(CCOCC3)C2)C(=O)N1CCC1=CCCCC1 ZINC000769775879 1078551351 /nfs/dbraw/zinc/55/13/51/1078551351.db2.gz WDQCORXXUHXZJE-UHFFFAOYSA-N 1 2 407.536 2.223 20 0 HEADLO C[C@H](NC(=O)c1cc(NC(=O)OCC(F)(F)F)ccc1O)[C@H](C)[NH+]1CCOCC1 ZINC000769776696 1078551846 /nfs/dbraw/zinc/55/18/46/1078551846.db2.gz FAJWXSSPRDPTBE-RYUDHWBXSA-N 1 2 419.400 2.342 20 0 HEADLO Cc1ccc(N2CCC[C@H](NC(=O)NC[C@@]3([NH+]4CCOCC4)CCSC3)C2)cc1 ZINC000745737022 1078622820 /nfs/dbraw/zinc/62/28/20/1078622820.db2.gz MYZJXWRUBLAWQQ-UGKGYDQZSA-N 1 2 418.607 2.471 20 0 HEADLO Cc1ccc([C@@H](C)[C@H](O)C(=O)OCC(=O)N2CC[NH+](Cc3ccsc3)CC2)cc1 ZINC000745754421 1078625650 /nfs/dbraw/zinc/62/56/50/1078625650.db2.gz FJVFDDVIHIWGRP-UTKZUKDTSA-N 1 2 416.543 2.409 20 0 HEADLO CCOC(=O)N1CCC(NC(=O)CN2CC[NH+]([C@H](C)c3cccc(F)c3)CC2)CC1 ZINC000769919698 1078634189 /nfs/dbraw/zinc/63/41/89/1078634189.db2.gz XWKJSFURBIKRMJ-QGZVFWFLSA-N 1 2 420.529 2.241 20 0 HEADLO C[N@H+](CC(F)F)C1CCN(C(=O)c2cnn3cc(Br)cnc23)CC1 ZINC000769918217 1078634223 /nfs/dbraw/zinc/63/42/23/1078634223.db2.gz AWPAIFFSCCGATL-UHFFFAOYSA-N 1 2 402.243 2.293 20 0 HEADLO C[N@@H+](CC(F)F)C1CCN(C(=O)c2cnn3cc(Br)cnc23)CC1 ZINC000769918217 1078634228 /nfs/dbraw/zinc/63/42/28/1078634228.db2.gz AWPAIFFSCCGATL-UHFFFAOYSA-N 1 2 402.243 2.293 20 0 HEADLO CC(C)(C)OC(=O)N1CCC(CNC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)CC1 ZINC000745793823 1078650557 /nfs/dbraw/zinc/65/05/57/1078650557.db2.gz ROJGMBMUFPYRIP-SFHVURJKSA-N 1 2 410.559 2.140 20 0 HEADLO CC(C)(C)OC(=O)N1CC[C@H](CCNC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)C1 ZINC000745807972 1078655594 /nfs/dbraw/zinc/65/55/94/1078655594.db2.gz HZZABFFSRUTEIU-ZWKOTPCHSA-N 1 2 410.559 2.140 20 0 HEADLO CCCn1c(=O)cc(Nc2ccc(C[NH+]3CCOCC3)cc2OC)n(CCC)c1=O ZINC001170012346 1078680343 /nfs/dbraw/zinc/68/03/43/1078680343.db2.gz QKMPKYFVCCKJMJ-UHFFFAOYSA-N 1 2 416.522 2.414 20 0 HEADLO CC(=O)[C@@H](Cc1ccccc1)NC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000745944223 1078708467 /nfs/dbraw/zinc/70/84/67/1078708467.db2.gz KIPILHLGMAPWBY-RTBURBONSA-N 1 2 403.523 2.244 20 0 HEADLO CC(=O)[C@@H](Cc1ccccc1)NC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000745944223 1078708473 /nfs/dbraw/zinc/70/84/73/1078708473.db2.gz KIPILHLGMAPWBY-RTBURBONSA-N 1 2 403.523 2.244 20 0 HEADLO O=C(CCC(=O)N1CCN(c2cccc[nH+]2)CC1)OCc1nc(-c2ccccc2)no1 ZINC000766336225 1078723007 /nfs/dbraw/zinc/72/30/07/1078723007.db2.gz QLXWJADIONLHBR-UHFFFAOYSA-N 1 2 421.457 2.304 20 0 HEADLO CCNC(=O)c1cccc(NC(=O)C[N@H+](C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1 ZINC000745991831 1078723718 /nfs/dbraw/zinc/72/37/18/1078723718.db2.gz UZGWNMHXHUAHPO-QGZVFWFLSA-N 1 2 404.511 2.316 20 0 HEADLO CCNC(=O)c1cccc(NC(=O)C[N@@H+](C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1 ZINC000745991831 1078723726 /nfs/dbraw/zinc/72/37/26/1078723726.db2.gz UZGWNMHXHUAHPO-QGZVFWFLSA-N 1 2 404.511 2.316 20 0 HEADLO CCNc1nc(C)c(C(=O)OCC(=O)N2CC[NH+](Cc3cccs3)CC2)s1 ZINC000770064069 1078729419 /nfs/dbraw/zinc/72/94/19/1078729419.db2.gz JOHSTFWEXSSFIK-UHFFFAOYSA-N 1 2 408.549 2.446 20 0 HEADLO CCNc1nc(C)c(C(=O)OCC(=O)N2CC[NH+](Cc3ccsc3)CC2)s1 ZINC000770065406 1078729670 /nfs/dbraw/zinc/72/96/70/1078729670.db2.gz CTOMWHVSJRELRI-UHFFFAOYSA-N 1 2 408.549 2.446 20 0 HEADLO CN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)S(=O)(=O)Cc1ccccc1 ZINC000051736171 1078735920 /nfs/dbraw/zinc/73/59/20/1078735920.db2.gz ZNFVRPXEFSQJEM-UHFFFAOYSA-N 1 2 400.416 2.383 20 0 HEADLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)Nc1cnn(Cc2nnc3n2CCCC3)c1 ZINC000770168573 1078764917 /nfs/dbraw/zinc/76/49/17/1078764917.db2.gz RRYAQSUYMHZRMS-MRXNPFEDSA-N 1 2 411.514 2.292 20 0 HEADLO Cc1noc(C(F)F)c1C(=O)OCC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000746082184 1078771476 /nfs/dbraw/zinc/77/14/76/1078771476.db2.gz LJZGWCBXPBYIHP-UHFFFAOYSA-N 1 2 423.416 2.226 20 0 HEADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N1CCCC[C@@H]1CN1CCCC1=O ZINC000770275731 1078803204 /nfs/dbraw/zinc/80/32/04/1078803204.db2.gz VIAOACTUUGCNBJ-QGZVFWFLSA-N 1 2 401.511 2.235 20 0 HEADLO COc1cc(OC)cc([C@@H](O)CNC(=O)Nc2ccc(N3CCOCC3)[nH+]c2C)c1 ZINC000770273135 1078802236 /nfs/dbraw/zinc/80/22/36/1078802236.db2.gz AGYRFMLHQDNQMF-IBGZPJMESA-N 1 2 416.478 2.099 20 0 HEADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N1CCC[C@@H](N2CCCCC2=O)C1 ZINC000770273561 1078802253 /nfs/dbraw/zinc/80/22/53/1078802253.db2.gz DLAXPACHHHXOIB-QGZVFWFLSA-N 1 2 401.511 2.235 20 0 HEADLO COc1ccc(OC)c([C@@H](O)CNC(=O)Nc2ccc(N3CCOCC3)[nH+]c2C)c1 ZINC000770259006 1078792392 /nfs/dbraw/zinc/79/23/92/1078792392.db2.gz CMRJGSFJLRJZCS-SFHVURJKSA-N 1 2 416.478 2.099 20 0 HEADLO CCOC(=O)N1CC[C@@H](NC(=O)N[C@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)C1 ZINC000770404311 1078843495 /nfs/dbraw/zinc/84/34/95/1078843495.db2.gz MJQNVGFQRQBBID-LSDHHAIUSA-N 1 2 410.465 2.459 20 0 HEADLO CCOC(=O)N1CC[C@@H](NC(=O)N[C@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)C1 ZINC000770404311 1078843496 /nfs/dbraw/zinc/84/34/96/1078843496.db2.gz MJQNVGFQRQBBID-LSDHHAIUSA-N 1 2 410.465 2.459 20 0 HEADLO CN(C)c1ccc([NH+]2CCC(NC(=O)c3cn(CC(=O)C(C)(C)C)nn3)CC2)cc1 ZINC000746304842 1078848545 /nfs/dbraw/zinc/84/85/45/1078848545.db2.gz SVBPCVAMYJCSQT-UHFFFAOYSA-N 1 2 412.538 2.358 20 0 HEADLO CC[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)[C@@H](CC)CN1C(=O)OCc1ccccc1 ZINC000746291388 1078851810 /nfs/dbraw/zinc/85/18/10/1078851810.db2.gz HUROTMPRBINDGI-ZCNNSNEGSA-N 1 2 403.523 2.355 20 0 HEADLO CC[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)[C@@H](CC)CN1C(=O)OCc1ccccc1 ZINC000746291388 1078851813 /nfs/dbraw/zinc/85/18/13/1078851813.db2.gz HUROTMPRBINDGI-ZCNNSNEGSA-N 1 2 403.523 2.355 20 0 HEADLO C[N@H+](CC(F)F)C1CCN(C(=O)CNC(=O)c2cc(-c3ccccc3)on2)CC1 ZINC000746322391 1078858380 /nfs/dbraw/zinc/85/83/80/1078858380.db2.gz KDQBKYHPINQYKQ-UHFFFAOYSA-N 1 2 406.433 2.259 20 0 HEADLO C[N@@H+](CC(F)F)C1CCN(C(=O)CNC(=O)c2cc(-c3ccccc3)on2)CC1 ZINC000746322391 1078858381 /nfs/dbraw/zinc/85/83/81/1078858381.db2.gz KDQBKYHPINQYKQ-UHFFFAOYSA-N 1 2 406.433 2.259 20 0 HEADLO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2CN2C(=O)C[C@@H](Cc3cnn(C)c3)C2=O)c1 ZINC000746374369 1078881882 /nfs/dbraw/zinc/88/18/82/1078881882.db2.gz NXLLJNADTYETLL-APWZRJJASA-N 1 2 412.490 2.150 20 0 HEADLO COc1ccc(OC)c([C@@H]2CCC[N@H+]2CN2C(=O)C[C@@H](Cc3cnn(C)c3)C2=O)c1 ZINC000746374369 1078881885 /nfs/dbraw/zinc/88/18/85/1078881885.db2.gz NXLLJNADTYETLL-APWZRJJASA-N 1 2 412.490 2.150 20 0 HEADLO O=C(Nc1cccc(C2SCCS2)c1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000746386184 1078889214 /nfs/dbraw/zinc/88/92/14/1078889214.db2.gz OAGLWNZWRRMUIR-INIZCTEOSA-N 1 2 421.588 2.284 20 0 HEADLO O=C(COC(=O)c1cc(=O)[nH]c(C2CC2)c1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000770580380 1078895587 /nfs/dbraw/zinc/89/55/87/1078895587.db2.gz JODDHUDHMCQCPO-UHFFFAOYSA-N 1 2 401.488 2.227 20 0 HEADLO O=C(CN1C(=O)CN(/C=C/c2ccccc2)C1=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000746398963 1078895736 /nfs/dbraw/zinc/89/57/36/1078895736.db2.gz MMCKUBAGPUXGJT-CMDGGOBGSA-N 1 2 424.526 2.327 20 0 HEADLO O=C(Nc1cccc(COc2ccccc2)c1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000746398690 1078896238 /nfs/dbraw/zinc/89/62/38/1078896238.db2.gz GIDNHARJCCFJHX-HXUWFJFHSA-N 1 2 423.513 2.385 20 0 HEADLO COC(=O)c1c(F)ccc(S(=O)(=O)NCc2ccccc2-n2cc[nH+]c2)c1F ZINC000746403409 1078901178 /nfs/dbraw/zinc/90/11/78/1078901178.db2.gz QRUHZBFLCVUMGG-UHFFFAOYSA-N 1 2 407.398 2.416 20 0 HEADLO CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)C[C@H]1CO ZINC000770665469 1078924584 /nfs/dbraw/zinc/92/45/84/1078924584.db2.gz FEHKMTLIQBDORA-KBMXLJTQSA-N 1 2 418.515 2.346 20 0 HEADLO CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)[C@@H](C)[N@H+]1C[C@@H](O)C[C@H]1CO ZINC000770665469 1078924589 /nfs/dbraw/zinc/92/45/89/1078924589.db2.gz FEHKMTLIQBDORA-KBMXLJTQSA-N 1 2 418.515 2.346 20 0 HEADLO COc1ccc(C(N)=[NH+]OCCCS(=O)(=O)c2ccccc2OC)cc1OC ZINC000766404550 1078955143 /nfs/dbraw/zinc/95/51/43/1078955143.db2.gz LCGMMHHHGJONNB-UHFFFAOYSA-N 1 2 408.476 2.423 20 0 HEADLO COc1ccc(C(=O)NC(=O)C[N@@H+]2CCC[C@H](C(=O)Nc3ccc(C)cn3)C2)cc1 ZINC000746456977 1078995976 /nfs/dbraw/zinc/99/59/76/1078995976.db2.gz HECXIZQKYZZAQW-KRWDZBQOSA-N 1 2 410.474 2.006 20 0 HEADLO COc1ccc(C(=O)NC(=O)C[N@H+]2CCC[C@H](C(=O)Nc3ccc(C)cn3)C2)cc1 ZINC000746456977 1078995985 /nfs/dbraw/zinc/99/59/85/1078995985.db2.gz HECXIZQKYZZAQW-KRWDZBQOSA-N 1 2 410.474 2.006 20 0 HEADLO Cn1ncc2c1nc[nH+]c2NCCOc1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000766446364 1078994543 /nfs/dbraw/zinc/99/45/43/1078994543.db2.gz WAIYNMNDNWAFMX-UHFFFAOYSA-N 1 2 401.370 2.148 20 0 HEADLO C[C@H](C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)c1ccc(Br)cc1 ZINC000766439161 1079004703 /nfs/dbraw/zinc/00/47/03/1079004703.db2.gz BFKUALGXYDNHCW-ZDUSSCGKSA-N 1 2 417.369 2.178 20 0 HEADLO CN(Cc1ccccc1F)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[C@H]3CC[C@@H]1O3)C2 ZINC001109739917 1079038544 /nfs/dbraw/zinc/03/85/44/1079038544.db2.gz GWIQWMNZDWFQTC-QGJLOBTQSA-N 1 2 415.509 2.073 20 0 HEADLO CN(Cc1ccccc1F)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[C@H]3CC[C@@H]1O3)C2 ZINC001109739917 1079038554 /nfs/dbraw/zinc/03/85/54/1079038554.db2.gz GWIQWMNZDWFQTC-QGJLOBTQSA-N 1 2 415.509 2.073 20 0 HEADLO O=C(C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[C@H]3CC[C@@H]1O3)C2)NCCC1=CCCCC1 ZINC001109740691 1079038789 /nfs/dbraw/zinc/03/87/89/1079038789.db2.gz YTIVPXPISNLPFL-SQDPYLFBSA-N 1 2 401.551 2.282 20 0 HEADLO O=C(C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[C@H]3CC[C@@H]1O3)C2)NCCC1=CCCCC1 ZINC001109740691 1079038795 /nfs/dbraw/zinc/03/87/95/1079038795.db2.gz YTIVPXPISNLPFL-SQDPYLFBSA-N 1 2 401.551 2.282 20 0 HEADLO O=C(c1ccc(Cl)cc1NCC(F)(F)F)N1CCO[C@@H](C[NH+]2CCOCC2)C1 ZINC001169001360 1079096070 /nfs/dbraw/zinc/09/60/70/1079096070.db2.gz ANYUCFSGRQTGLX-AWEZNQCLSA-N 1 2 421.847 2.487 20 0 HEADLO COC(=O)[C@@H]1C[C@@H](Nc2cnc(C(C)(C)NC(=O)OCC[Si](C)(C)C)nc2)C[NH2+]1 ZINC001169136663 1079153256 /nfs/dbraw/zinc/15/32/56/1079153256.db2.gz NXAQOMUCRCMGFX-HIFRSBDPSA-N 1 2 423.590 2.092 20 0 HEADLO COC(=O)CN(CC[NH+]1CCOCC1)Cn1ccn(-c2cccc(C)c2)c1=S ZINC000746378373 1079182432 /nfs/dbraw/zinc/18/24/32/1079182432.db2.gz GSNLRXDLTPPCET-UHFFFAOYSA-N 1 2 404.536 2.081 20 0 HEADLO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@@H+]1Cc2cnc(Cl)cc2C1 ZINC001169222171 1079201611 /nfs/dbraw/zinc/20/16/11/1079201611.db2.gz YLAXAQOXCJFLBQ-ZDUSSCGKSA-N 1 2 416.913 2.057 20 0 HEADLO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@H+]1Cc2cnc(Cl)cc2C1 ZINC001169222171 1079201615 /nfs/dbraw/zinc/20/16/15/1079201615.db2.gz YLAXAQOXCJFLBQ-ZDUSSCGKSA-N 1 2 416.913 2.057 20 0 HEADLO CCOC(=O)[C@@H]1CC[C@H]([N@H+]2Cc3ncn(C)c3[C@H](COCc3cccnc3)C2)CO1 ZINC001169397398 1079269214 /nfs/dbraw/zinc/26/92/14/1079269214.db2.gz NAHXZCACMQWACO-BJLQDIEVSA-N 1 2 414.506 2.042 20 0 HEADLO CCOC(=O)[C@@H]1CC[C@H]([N@@H+]2Cc3ncn(C)c3[C@H](COCc3cccnc3)C2)CO1 ZINC001169397398 1079269222 /nfs/dbraw/zinc/26/92/22/1079269222.db2.gz NAHXZCACMQWACO-BJLQDIEVSA-N 1 2 414.506 2.042 20 0 HEADLO CCOC(=O)N1CC[C@H](NC(=O)N2CC[NH+]([C@@H](C)c3cccc(OC)c3)CC2)C1 ZINC000771379231 1079292996 /nfs/dbraw/zinc/29/29/96/1079292996.db2.gz JFSTVNCPECRXQT-WMZOPIPTSA-N 1 2 404.511 2.314 20 0 HEADLO COC(=O)c1cc(OC)nc(N[C@H]2C[C@@H](C(=O)OCc3ccccc3)CCC[NH2+]2)n1 ZINC001169504512 1079316362 /nfs/dbraw/zinc/31/63/62/1079316362.db2.gz PDMKZHBYYXBUTM-RDJZCZTQSA-N 1 2 414.462 2.143 20 0 HEADLO COC(=O)[C@@]1(NC(=O)c2ccc(-c3nnc[nH]3)cc2)CCC[N@H+](Cc2ccccc2)C1 ZINC000771396250 1079321049 /nfs/dbraw/zinc/32/10/49/1079321049.db2.gz DULIMTUGYVFCIC-HSZRJFAPSA-N 1 2 419.485 2.409 20 0 HEADLO COC(=O)[C@@]1(NC(=O)c2ccc(-c3nnc[nH]3)cc2)CCC[N@@H+](Cc2ccccc2)C1 ZINC000771396250 1079321058 /nfs/dbraw/zinc/32/10/58/1079321058.db2.gz DULIMTUGYVFCIC-HSZRJFAPSA-N 1 2 419.485 2.409 20 0 HEADLO NC(=O)c1cc(Cl)nnc1N[C@H]1C[C@H](C(=O)OCc2ccccc2)CCC[NH2+]1 ZINC001169524210 1079322745 /nfs/dbraw/zinc/32/27/45/1079322745.db2.gz WECPNYGNHQYDJV-CJNGLKHVSA-N 1 2 403.870 2.100 20 0 HEADLO Cc1cc2c(cc1C)[C@@H](C(=O)N1CC[N@@H+](C)C[C@H]1CNC(=O)OC(C)(C)C)CO2 ZINC000771399941 1079322749 /nfs/dbraw/zinc/32/27/49/1079322749.db2.gz VJEBEOJWDNOKOD-AEFFLSMTSA-N 1 2 403.523 2.447 20 0 HEADLO Cc1cc2c(cc1C)[C@@H](C(=O)N1CC[N@H+](C)C[C@H]1CNC(=O)OC(C)(C)C)CO2 ZINC000771399941 1079322754 /nfs/dbraw/zinc/32/27/54/1079322754.db2.gz VJEBEOJWDNOKOD-AEFFLSMTSA-N 1 2 403.523 2.447 20 0 HEADLO CS(=O)(=O)c1cncc(N[C@@H]2C[C@H](C(=O)OCc3ccccc3)CCC[NH2+]2)c1 ZINC001169525428 1079323250 /nfs/dbraw/zinc/32/32/50/1079323250.db2.gz YPWSXWOLHLCPID-VQIMIIECSA-N 1 2 403.504 2.356 20 0 HEADLO O=C(N[C@@H]1CCc2c[nH+]cn2C1)c1ccc2c(c1)[nH]c(=O)n(-c1ccccc1)c2=O ZINC000804332651 1079347377 /nfs/dbraw/zinc/34/73/77/1079347377.db2.gz OGQAIQDTJQHHML-OAHLLOKOSA-N 1 2 401.426 2.033 20 0 HEADLO CCOc1ccc(C2N=NC(=S)N2CCC(=O)N[C@H]2CCc3c[nH+]cn3C2)cc1 ZINC000804333589 1079366007 /nfs/dbraw/zinc/36/60/07/1079366007.db2.gz MUDYYPVYUXMNKQ-HNNXBMFYSA-N 1 2 412.519 2.350 20 0 HEADLO COC(=O)c1ccc(S(=O)(=O)NCc2ccc(-n3cc[nH+]c3)cc2)c(OC)c1 ZINC000785488174 1079363583 /nfs/dbraw/zinc/36/35/83/1079363583.db2.gz PAINVCTXNUXCQD-UHFFFAOYSA-N 1 2 401.444 2.146 20 0 HEADLO O=C(N[C@@H]1CCc2c[nH+]cn2C1)/C(=C\c1ccco1)n1nnnc1-c1ccccc1 ZINC000804335240 1079369651 /nfs/dbraw/zinc/36/96/51/1079369651.db2.gz VRXIAFFLPOQUOU-YDDPGSGASA-N 1 2 401.430 2.259 20 0 HEADLO O=C(N[C@H]1CCc2c[nH+]cn2C1)/C(=C/c1ccco1)n1nnnc1-c1ccccc1 ZINC000804335241 1079369732 /nfs/dbraw/zinc/36/97/32/1079369732.db2.gz VRXIAFFLPOQUOU-YLRSXTQRSA-N 1 2 401.430 2.259 20 0 HEADLO O=C(N[C@H]1CCc2c[nH+]cn2C1)C1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1 ZINC000804335018 1079370487 /nfs/dbraw/zinc/37/04/87/1079370487.db2.gz PHAWUDQCGAGFHY-XGCMIMOYSA-N 1 2 414.531 2.027 20 0 HEADLO CC(C)(C)OC(=O)N1CC[C@@H](c2cc(C(=O)N[C@@H]3CCc4c[nH+]cn4C3)[nH]n2)C1 ZINC000804334405 1079376631 /nfs/dbraw/zinc/37/66/31/1079376631.db2.gz FZBSLJXWRJVGCG-ZIAGYGMSSA-N 1 2 400.483 2.075 20 0 HEADLO CC(C)(C)OC(=O)N1CCc2ccccc2[C@H]1C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000771563235 1079386100 /nfs/dbraw/zinc/38/61/00/1079386100.db2.gz VUPXWNOOZDKTDY-ICSRJNTNSA-N 1 2 415.534 2.454 20 0 HEADLO COc1ccccc1[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000771562567 1079386503 /nfs/dbraw/zinc/38/65/03/1079386503.db2.gz RWIYNJVEOHYZRO-LPHOPBHVSA-N 1 2 419.522 2.194 20 0 HEADLO COC(=O)C(C)(C)[C@@H]1CCC[N@H+](CN2C(=O)C(=O)N(c3ccc(C)cc3C)C2=O)C1 ZINC000771630425 1079415136 /nfs/dbraw/zinc/41/51/36/1079415136.db2.gz MFSUKNVXBHLKAF-MRXNPFEDSA-N 1 2 415.490 2.467 20 0 HEADLO COC(=O)C(C)(C)[C@@H]1CCC[N@@H+](CN2C(=O)C(=O)N(c3ccc(C)cc3C)C2=O)C1 ZINC000771630425 1079415153 /nfs/dbraw/zinc/41/51/53/1079415153.db2.gz MFSUKNVXBHLKAF-MRXNPFEDSA-N 1 2 415.490 2.467 20 0 HEADLO CCn1c(N2CCOCC2)nn(C[N@@H+]2CCC[C@@H](C(C)(C)C(=O)OC)C2)c1=S ZINC000771628232 1079411805 /nfs/dbraw/zinc/41/18/05/1079411805.db2.gz GZPFCPQRKFFNSG-OAHLLOKOSA-N 1 2 411.572 2.139 20 0 HEADLO CCn1c(N2CCOCC2)nn(C[N@H+]2CCC[C@@H](C(C)(C)C(=O)OC)C2)c1=S ZINC000771628232 1079411814 /nfs/dbraw/zinc/41/18/14/1079411814.db2.gz GZPFCPQRKFFNSG-OAHLLOKOSA-N 1 2 411.572 2.139 20 0 HEADLO COc1ccc2c(c1)NC(=O)C[C@H]2CNc1ccc(OCC[NH+]2CCOCC2)nc1 ZINC001169925598 1079486280 /nfs/dbraw/zinc/48/62/80/1079486280.db2.gz SNYRMJNVZOBWRJ-INIZCTEOSA-N 1 2 412.490 2.339 20 0 HEADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)c1ccccc1 ZINC000737793840 1075930002 /nfs/dbraw/zinc/93/00/02/1075930002.db2.gz IKKFLRKHOGBRGS-RXVVDRJESA-N 1 2 411.502 2.491 20 0 HEADLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)[C@H](NC(=O)OCc1ccccc1)c1ccccc1 ZINC000737841671 1075935618 /nfs/dbraw/zinc/93/56/18/1075935618.db2.gz QCJLHDMJAHEOOU-DENIHFKCSA-N 1 2 424.545 2.406 20 0 HEADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)Cc1c(C)[nH]c2nn(C)c(=O)c-2c1C ZINC000737936582 1075939978 /nfs/dbraw/zinc/93/99/78/1075939978.db2.gz SLSGNYOAPGLEBO-UHFFFAOYSA-N 1 2 423.517 2.200 20 0 HEADLO CC[C@@]1(C(C)C)NC(=O)N(C[NH+]2CCC(NC(=O)c3ccc(F)cc3)CC2)C1=O ZINC000738025347 1075953113 /nfs/dbraw/zinc/95/31/13/1075953113.db2.gz WUMXJLSUVZTCML-NRFANRHFSA-N 1 2 404.486 2.334 20 0 HEADLO CC[C@]1(C(C)C)NC(=O)N(C[N@@H+]2CCC[C@@H](C(=O)Nc3cccc(C)n3)C2)C1=O ZINC000738026932 1075953604 /nfs/dbraw/zinc/95/36/04/1075953604.db2.gz AXKDJYUDGUXRHD-IIBYNOLFSA-N 1 2 401.511 2.355 20 0 HEADLO CC[C@]1(C(C)C)NC(=O)N(C[N@H+]2CCC[C@@H](C(=O)Nc3cccc(C)n3)C2)C1=O ZINC000738026932 1075953612 /nfs/dbraw/zinc/95/36/12/1075953612.db2.gz AXKDJYUDGUXRHD-IIBYNOLFSA-N 1 2 401.511 2.355 20 0 HEADLO CN(C[C@H]1CCC[N@H+](CN2C(=O)C(=O)N(C3CCCC3)C2=O)C1)C(=O)OC(C)(C)C ZINC000738087181 1075959650 /nfs/dbraw/zinc/95/96/50/1075959650.db2.gz WZHIFMMARVLLMH-OAHLLOKOSA-N 1 2 422.526 2.256 20 0 HEADLO CN(C[C@H]1CCC[N@@H+](CN2C(=O)C(=O)N(C3CCCC3)C2=O)C1)C(=O)OC(C)(C)C ZINC000738087181 1075959656 /nfs/dbraw/zinc/95/96/56/1075959656.db2.gz WZHIFMMARVLLMH-OAHLLOKOSA-N 1 2 422.526 2.256 20 0 HEADLO O=C1N[C@@](c2ccccc2)(C(F)(F)F)C(=O)N1CN1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000738149464 1075969272 /nfs/dbraw/zinc/96/92/72/1075969272.db2.gz RVGCRISQVUFEGO-CRAIPNDOSA-N 1 2 407.396 2.487 20 0 HEADLO O=C1N[C@@](c2ccccc2)(C(F)(F)F)C(=O)N1C[N@@H+]1CCC[C@H](C2OCCO2)C1 ZINC000738148325 1075969398 /nfs/dbraw/zinc/96/93/98/1075969398.db2.gz JXDDPPNPCXRXLJ-SCLBCKFNSA-N 1 2 413.396 2.038 20 0 HEADLO O=C1N[C@@](c2ccccc2)(C(F)(F)F)C(=O)N1C[N@H+]1CCC[C@H](C2OCCO2)C1 ZINC000738148325 1075969405 /nfs/dbraw/zinc/96/94/05/1075969405.db2.gz JXDDPPNPCXRXLJ-SCLBCKFNSA-N 1 2 413.396 2.038 20 0 HEADLO C[N@H+](CCN1CCN(C(=O)OC(C)(C)C)CC1)CC(=O)Nc1ccc(F)c(F)c1 ZINC000738329263 1075982457 /nfs/dbraw/zinc/98/24/57/1075982457.db2.gz NQLPOSQHVHESIS-UHFFFAOYSA-N 1 2 412.481 2.388 20 0 HEADLO C[N@@H+](CCN1CCN(C(=O)OC(C)(C)C)CC1)CC(=O)Nc1ccc(F)c(F)c1 ZINC000738329263 1075982462 /nfs/dbraw/zinc/98/24/62/1075982462.db2.gz NQLPOSQHVHESIS-UHFFFAOYSA-N 1 2 412.481 2.388 20 0 HEADLO C[C@@H]1CSCC[N@@H+]1CC(=O)Nc1cccc(S(=O)(=O)NC2=NCCCCC2)c1 ZINC000738337272 1075984063 /nfs/dbraw/zinc/98/40/63/1075984063.db2.gz AUGIYXUXNLVXML-OAHLLOKOSA-N 1 2 424.592 2.313 20 0 HEADLO C[C@@H]1CSCC[N@H+]1CC(=O)Nc1cccc(S(=O)(=O)NC2=NCCCCC2)c1 ZINC000738337272 1075984066 /nfs/dbraw/zinc/98/40/66/1075984066.db2.gz AUGIYXUXNLVXML-OAHLLOKOSA-N 1 2 424.592 2.313 20 0 HEADLO O=C(Nc1ccc2[nH+]ccn2c1)N1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000738948940 1076027523 /nfs/dbraw/zinc/02/75/23/1076027523.db2.gz JRGFSMSYWNIJND-UHFFFAOYSA-N 1 2 417.466 2.448 20 0 HEADLO COc1c(C)c[nH+]c(CNC(=O)C(=O)Nc2ccc(N3CCOC[C@H]3C)cc2)c1C ZINC000739079671 1076039072 /nfs/dbraw/zinc/03/90/72/1076039072.db2.gz HINSSVXGEBWBNP-OAHLLOKOSA-N 1 2 412.490 2.187 20 0 HEADLO CC(C)(C)OC(=O)NC(C)(C)CC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000739705031 1076073816 /nfs/dbraw/zinc/07/38/16/1076073816.db2.gz DCYXRSMVMVCDJV-LJQANCHMSA-N 1 2 401.573 2.004 20 0 HEADLO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000739705734 1076074215 /nfs/dbraw/zinc/07/42/15/1076074215.db2.gz LSZYTGNLRUFQKC-JXXFODFXSA-N 1 2 413.584 2.004 20 0 HEADLO C[C@@](O)(CNC(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1)c1cccs1 ZINC000740027694 1076104289 /nfs/dbraw/zinc/10/42/89/1076104289.db2.gz URVMDRWRIOGZOD-OAQYLSRUSA-N 1 2 416.547 2.358 20 0 HEADLO COC(=O)N1CCC[C@H](NC(=O)N[C@@H](c2ccc(Cl)cc2)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000766253985 1076157312 /nfs/dbraw/zinc/15/73/12/1076157312.db2.gz YZUBCPAVGHKQNL-BZSNNMDCSA-N 1 2 424.929 2.242 20 0 HEADLO COC(=O)N1CCC[C@H](NC(=O)N[C@@H](c2ccc(Cl)cc2)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000766253985 1076157317 /nfs/dbraw/zinc/15/73/17/1076157317.db2.gz YZUBCPAVGHKQNL-BZSNNMDCSA-N 1 2 424.929 2.242 20 0 HEADLO C[C@@H](c1cccc(NC(=O)C(=O)NC[C@@](C)(O)c2cccs2)c1)[NH+]1CCOCC1 ZINC000740524417 1076205572 /nfs/dbraw/zinc/20/55/72/1076205572.db2.gz ZKXHPXJPDYYSRL-YCRPNKLZSA-N 1 2 417.531 2.104 20 0 HEADLO O=C(Cc1ccc(S(=O)(=O)C(F)F)cc1)NC1CCN(c2cccc[nH+]2)CC1 ZINC000740648914 1076208885 /nfs/dbraw/zinc/20/88/85/1076208885.db2.gz FBLNYIZYNMSRNN-UHFFFAOYSA-N 1 2 409.458 2.406 20 0 HEADLO OC1C[C@H]2CC[C@@H](C1)[N@H+]2Cn1nc(N2CCOCC2)n(Cc2ccccc2)c1=S ZINC000740758909 1076228950 /nfs/dbraw/zinc/22/89/50/1076228950.db2.gz NSXDNZXFFLNSIN-DFNIBXOVSA-N 1 2 415.563 2.244 20 0 HEADLO OC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cn1nc(N2CCOCC2)n(Cc2ccccc2)c1=S ZINC000740758909 1076228957 /nfs/dbraw/zinc/22/89/57/1076228957.db2.gz NSXDNZXFFLNSIN-DFNIBXOVSA-N 1 2 415.563 2.244 20 0 HEADLO Cc1cc(=O)oc2cc(OCC[N@H+](C[C@@H]3CCCO3)[C@H]3CCS(=O)(=O)C3)ccc12 ZINC000740877407 1076278639 /nfs/dbraw/zinc/27/86/39/1076278639.db2.gz FYCCOBQDRLNKQG-WMZOPIPTSA-N 1 2 421.515 2.148 20 0 HEADLO Cc1cc(=O)oc2cc(OCC[N@@H+](C[C@@H]3CCCO3)[C@H]3CCS(=O)(=O)C3)ccc12 ZINC000740877407 1076278649 /nfs/dbraw/zinc/27/86/49/1076278649.db2.gz FYCCOBQDRLNKQG-WMZOPIPTSA-N 1 2 421.515 2.148 20 0 HEADLO C[C@@H](C(=O)Nc1sccc1C(N)=O)[N@@H+]1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000740881651 1076280453 /nfs/dbraw/zinc/28/04/53/1076280453.db2.gz AMXUWIMPDNYDLF-MBNYWOFBSA-N 1 2 410.540 2.409 20 0 HEADLO C[C@@H](C(=O)Nc1sccc1C(N)=O)[N@H+]1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000740881651 1076280463 /nfs/dbraw/zinc/28/04/63/1076280463.db2.gz AMXUWIMPDNYDLF-MBNYWOFBSA-N 1 2 410.540 2.409 20 0 HEADLO CC[C@@H]1C[N@H+](CC(=O)N2CCOCC2)[C@@H](CC)CN1C(=O)OCc1ccccc1 ZINC000740887471 1076285332 /nfs/dbraw/zinc/28/53/32/1076285332.db2.gz VBBBQFJOCSWINA-VQTJNVASSA-N 1 2 403.523 2.357 20 0 HEADLO CC[C@@H]1C[N@@H+](CC(=O)N2CCOCC2)[C@@H](CC)CN1C(=O)OCc1ccccc1 ZINC000740887471 1076285337 /nfs/dbraw/zinc/28/53/37/1076285337.db2.gz VBBBQFJOCSWINA-VQTJNVASSA-N 1 2 403.523 2.357 20 0 HEADLO O=C1OCCN1c1ccc(S(=O)(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)cc1 ZINC000740891416 1076291976 /nfs/dbraw/zinc/29/19/76/1076291976.db2.gz NNRGNOCAIDDDDH-UHFFFAOYSA-N 1 2 416.434 2.447 20 0 HEADLO C[C@@](O)(CNC(=O)NCc1ccccc1OCC[NH+]1CCOCC1)c1ccsc1 ZINC000740911048 1076303161 /nfs/dbraw/zinc/30/31/61/1076303161.db2.gz XBPOPNCQNROBQZ-OAQYLSRUSA-N 1 2 419.547 2.166 20 0 HEADLO CC(C)(C)OC(=O)N1CC[C@@H](C[NH+]2CCN(S(=O)(=O)c3ccccc3)CC2)C1 ZINC000741155783 1076388826 /nfs/dbraw/zinc/38/88/26/1076388826.db2.gz RLQFTTLIDZPMEF-KRWDZBQOSA-N 1 2 409.552 2.250 20 0 HEADLO CCOC(=O)C1C(COC(=O)[C@@H]2CCCC[N@@H+]2CC)=NC(=O)N[C@H]1c1ccccc1 ZINC000741146949 1076392220 /nfs/dbraw/zinc/39/22/20/1076392220.db2.gz RJFHIWDUXWKYQT-HKUYNNGSSA-N 1 2 415.490 2.275 20 0 HEADLO CCOC(=O)C1C(COC(=O)[C@@H]2CCCC[N@H+]2CC)=NC(=O)N[C@H]1c1ccccc1 ZINC000741146949 1076392223 /nfs/dbraw/zinc/39/22/23/1076392223.db2.gz RJFHIWDUXWKYQT-HKUYNNGSSA-N 1 2 415.490 2.275 20 0 HEADLO C[C@H](NC(=O)c1cnn(-c2ccc(F)cc2)n1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000741204355 1076417640 /nfs/dbraw/zinc/41/76/40/1076417640.db2.gz NEFHPWFXEJMUSX-HRAATJIYSA-N 1 2 409.465 2.426 20 0 HEADLO C[C@H](NC(=O)c1cnn(-c2ccc(F)cc2)n1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000741204355 1076417646 /nfs/dbraw/zinc/41/76/46/1076417646.db2.gz NEFHPWFXEJMUSX-HRAATJIYSA-N 1 2 409.465 2.426 20 0 HEADLO COC[C@@]1(C)NC(=O)N(C[N@H+](C)CC2(c3ccc(Br)cc3)CC2)C1=O ZINC000741242444 1076433280 /nfs/dbraw/zinc/43/32/80/1076433280.db2.gz PJCUTERSZNVRKB-QGZVFWFLSA-N 1 2 410.312 2.327 20 0 HEADLO COC[C@@]1(C)NC(=O)N(C[N@@H+](C)CC2(c3ccc(Br)cc3)CC2)C1=O ZINC000741242444 1076433284 /nfs/dbraw/zinc/43/32/84/1076433284.db2.gz PJCUTERSZNVRKB-QGZVFWFLSA-N 1 2 410.312 2.327 20 0 HEADLO O=C(COC(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1)Nc1nnc([C@@H]2CCCO2)o1 ZINC000741348885 1076490651 /nfs/dbraw/zinc/49/06/51/1076490651.db2.gz AYZAFNCQFGWXOS-SJORKVTESA-N 1 2 414.462 2.458 20 0 HEADLO O=C(COC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1)Nc1nnc([C@@H]2CCCO2)o1 ZINC000741348885 1076490661 /nfs/dbraw/zinc/49/06/61/1076490661.db2.gz AYZAFNCQFGWXOS-SJORKVTESA-N 1 2 414.462 2.458 20 0 HEADLO Cc1nn(C)c(C)c1NC(=O)[C@H](C)OC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000741350787 1076491588 /nfs/dbraw/zinc/49/15/88/1076491588.db2.gz BPSJPZMDEUJQTP-HKUYNNGSSA-N 1 2 414.506 2.198 20 0 HEADLO Cc1nn(C)c(C)c1NC(=O)[C@H](C)OC(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000741350787 1076491592 /nfs/dbraw/zinc/49/15/92/1076491592.db2.gz BPSJPZMDEUJQTP-HKUYNNGSSA-N 1 2 414.506 2.198 20 0 HEADLO COc1ccc(CNC(=O)COC(=O)C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cc1 ZINC000741356930 1076494443 /nfs/dbraw/zinc/49/44/43/1076494443.db2.gz SCMUDIFBUBDAIS-OAQYLSRUSA-N 1 2 412.486 2.146 20 0 HEADLO COc1ccc(CNC(=O)COC(=O)C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1 ZINC000741356930 1076494449 /nfs/dbraw/zinc/49/44/49/1076494449.db2.gz SCMUDIFBUBDAIS-OAQYLSRUSA-N 1 2 412.486 2.146 20 0 HEADLO Cc1ccn2c(=O)cc(COC(=O)C[C@@H]3C[N@H+](Cc4ccccc4)CCO3)nc2c1 ZINC000741356826 1076494729 /nfs/dbraw/zinc/49/47/29/1076494729.db2.gz QXTUGKWDOMWOPJ-HXUWFJFHSA-N 1 2 407.470 2.337 20 0 HEADLO Cc1ccn2c(=O)cc(COC(=O)C[C@@H]3C[N@@H+](Cc4ccccc4)CCO3)nc2c1 ZINC000741356826 1076494741 /nfs/dbraw/zinc/49/47/41/1076494741.db2.gz QXTUGKWDOMWOPJ-HXUWFJFHSA-N 1 2 407.470 2.337 20 0 HEADLO C[C@H](NC(=O)COC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1)c1ccc(F)cc1 ZINC000741386133 1076509190 /nfs/dbraw/zinc/50/91/90/1076509190.db2.gz VEBYSVRJMSCHQM-JXFKEZNVSA-N 1 2 400.450 2.447 20 0 HEADLO C[C@H](NC(=O)COC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ccc(F)cc1 ZINC000741386133 1076509195 /nfs/dbraw/zinc/50/91/95/1076509195.db2.gz VEBYSVRJMSCHQM-JXFKEZNVSA-N 1 2 400.450 2.447 20 0 HEADLO C[C@@H](C(=O)Nc1ccc(N2CCOCC2)cc1)[NH+]1CCN(c2cccc(O)c2)CC1 ZINC000741695125 1076582029 /nfs/dbraw/zinc/58/20/29/1076582029.db2.gz BFHYFAZCGLMGQA-SFHVURJKSA-N 1 2 410.518 2.378 20 0 HEADLO C[C@H](c1cccnc1)[NH+]1CCN(CC(=O)Nc2sc3c(c2C(N)=O)CCC3)CC1 ZINC000741789199 1076628320 /nfs/dbraw/zinc/62/83/20/1076628320.db2.gz XGLHMAPBSMHHOP-CQSZACIVSA-N 1 2 413.547 2.048 20 0 HEADLO C[C@@H]1CN(CC(=O)N2CC[NH+](Cc3cccs3)CC2)CCN1C(=O)OC(C)(C)C ZINC000741803945 1076643005 /nfs/dbraw/zinc/64/30/05/1076643005.db2.gz KZSZDJMVUZGIRP-QGZVFWFLSA-N 1 2 422.595 2.334 20 0 HEADLO NC(=O)c1ccc(/C=C\C(=O)N2CCC[C@@H]2C(=O)Nc2cccc3[nH+]ccn32)cc1 ZINC000741969935 1076700089 /nfs/dbraw/zinc/70/00/89/1076700089.db2.gz RMDVYOLPLNOXDK-SDMNGIDPSA-N 1 2 403.442 2.076 20 0 HEADLO CN(C)c1ccc([NH+]2CCC(NC(=O)CCn3nnc4ccccc4c3=O)CC2)cc1 ZINC000741982259 1076702334 /nfs/dbraw/zinc/70/23/34/1076702334.db2.gz RPIJVERJVDKKDN-UHFFFAOYSA-N 1 2 420.517 2.033 20 0 HEADLO CNC(=O)c1cncc(/C=C\C(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)c1 ZINC000741982145 1076702932 /nfs/dbraw/zinc/70/29/32/1076702932.db2.gz LNGIRWUZKWAEBT-WTKPLQERSA-N 1 2 407.518 2.306 20 0 HEADLO O=C(CSc1nnc(C[NH+]2CCCC2)n1-c1ccccc1)N[C@H]1CCSC1=O ZINC000742204564 1076791251 /nfs/dbraw/zinc/79/12/51/1076791251.db2.gz CEUJXPPKZBANEL-HNNXBMFYSA-N 1 2 417.560 2.104 20 0 HEADLO Cc1nnnn1[C@@H](Cc1ccc(F)cc1)C(=O)N1CCC([N@H+](C)CC(F)F)CC1 ZINC000742238105 1076803515 /nfs/dbraw/zinc/80/35/15/1076803515.db2.gz TXMPCPIHICHLHG-KRWDZBQOSA-N 1 2 410.444 2.092 20 0 HEADLO Cc1nnnn1[C@@H](Cc1ccc(F)cc1)C(=O)N1CCC([N@@H+](C)CC(F)F)CC1 ZINC000742238105 1076803517 /nfs/dbraw/zinc/80/35/17/1076803517.db2.gz TXMPCPIHICHLHG-KRWDZBQOSA-N 1 2 410.444 2.092 20 0 HEADLO O=C(Nc1ccc(N2CCNC(=O)C2)c(Cl)c1)[C@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000742244860 1076804879 /nfs/dbraw/zinc/80/48/79/1076804879.db2.gz WOBMKUOBYCVJSL-LJQANCHMSA-N 1 2 413.909 2.274 20 0 HEADLO O=C(Nc1ccc(N2CCNC(=O)C2)c(Cl)c1)[C@H]1CCC[N@H+]1Cc1ccccn1 ZINC000742244860 1076804880 /nfs/dbraw/zinc/80/48/80/1076804880.db2.gz WOBMKUOBYCVJSL-LJQANCHMSA-N 1 2 413.909 2.274 20 0 HEADLO C[C@@H](CNS(=O)(=O)c1ccc(SC(F)(F)F)cc1)C[NH+]1CCN(C)CC1 ZINC000742312770 1076827895 /nfs/dbraw/zinc/82/78/95/1076827895.db2.gz LSFFBJRRWPCHIA-ZDUSSCGKSA-N 1 2 411.515 2.460 20 0 HEADLO COc1ccc(CC(N)=[NH+]OCCOc2ccc(S(C)(=O)=O)cc2)cc1OC ZINC000742357267 1076830094 /nfs/dbraw/zinc/83/00/94/1076830094.db2.gz SNBMITFGHNAHAN-UHFFFAOYSA-N 1 2 408.476 2.227 20 0 HEADLO Cc1noc(C)c1C[NH+]1CCN(CN2C(=O)NC3(C2=O)[C@H](C)CCC[C@H]3C)CC1 ZINC000742547742 1076850954 /nfs/dbraw/zinc/85/09/54/1076850954.db2.gz NVGBCSLREIALLG-HUUCEWRRSA-N 1 2 403.527 2.113 20 0 HEADLO Cc1noc(C)c1C[NH+]1CCN(CN2C(=O)N[C@@](C)(C3CCCCC3)C2=O)CC1 ZINC000742547721 1076850976 /nfs/dbraw/zinc/85/09/76/1076850976.db2.gz MVUHQKSXLJFJOV-NRFANRHFSA-N 1 2 403.527 2.257 20 0 HEADLO C[NH+](C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)C[C@H]1SC(=N)NC1=O ZINC000742592647 1076853110 /nfs/dbraw/zinc/85/31/10/1076853110.db2.gz DVDWKVBEFPPMLO-CYBMUJFWSA-N 1 2 402.442 2.152 20 0 HEADLO O=C([C@H]1CC(=O)N(Cc2ccccc2Cl)C1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000742761260 1076874851 /nfs/dbraw/zinc/87/48/51/1076874851.db2.gz HDFJJJLTAIPXIK-ROUUACIJSA-N 1 2 405.926 2.012 20 0 HEADLO COc1ccc2c(C)c(CCC(=O)N3CCC[C@H]3C[NH+]3CCOCC3)c(=O)oc2c1 ZINC000742764598 1076875179 /nfs/dbraw/zinc/87/51/79/1076875179.db2.gz SNWFCWWYGDEFGO-KRWDZBQOSA-N 1 2 414.502 2.366 20 0 HEADLO Cc1cc([C@@](C)(O)CNC(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)c(C)o1 ZINC000743087561 1076956994 /nfs/dbraw/zinc/95/69/94/1076956994.db2.gz PMXHLQUZJNBFIX-QFIPXVFZSA-N 1 2 414.506 2.313 20 0 HEADLO COc1ccc(S(=O)(=O)C(F)(F)F)cc1NC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000743134850 1076971851 /nfs/dbraw/zinc/97/18/51/1076971851.db2.gz HGGNQPXOWNVTDS-GFCCVEGCSA-N 1 2 419.425 2.467 20 0 HEADLO CC(C)(C)c1ccc([C@@H](O)CNC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)cc1 ZINC000743168300 1076986014 /nfs/dbraw/zinc/98/60/14/1076986014.db2.gz FMSXCCHNEKWAAU-IBGZPJMESA-N 1 2 415.538 2.368 20 0 HEADLO C[C@@]1(C2CCCCC2)NC(=O)N(C[NH+]2CCC(c3nnc4n3CCC4)CC2)C1=O ZINC000743354420 1077031392 /nfs/dbraw/zinc/03/13/92/1077031392.db2.gz SJKNRCHZKPWUAC-NRFANRHFSA-N 1 2 400.527 2.252 20 0 HEADLO COC(=O)CC[N@H+](Cn1ncn(-c2ccccc2OC)c1=S)C1CCOCC1 ZINC000743404287 1077047438 /nfs/dbraw/zinc/04/74/38/1077047438.db2.gz OJICWKJSFZUMDT-UHFFFAOYSA-N 1 2 406.508 2.413 20 0 HEADLO COC(=O)CC[N@@H+](Cn1ncn(-c2ccccc2OC)c1=S)C1CCOCC1 ZINC000743404287 1077047442 /nfs/dbraw/zinc/04/74/42/1077047442.db2.gz OJICWKJSFZUMDT-UHFFFAOYSA-N 1 2 406.508 2.413 20 0 HEADLO CC(C)[C@H](Cc1ccc(F)cc1)NC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000743602185 1077078956 /nfs/dbraw/zinc/07/89/56/1077078956.db2.gz MZXCQIWCCICUCY-IBGZPJMESA-N 1 2 413.559 2.201 20 0 HEADLO O=C(Nc1cccc(C[NH+]2CCOCC2)c1)c1ccc(S(=O)(=O)N2CCCC2)o1 ZINC000743833296 1077136188 /nfs/dbraw/zinc/13/61/88/1077136188.db2.gz RISWQNVYIQBIGK-UHFFFAOYSA-N 1 2 419.503 2.149 20 0 HEADLO Cn1cc[nH+]c1C[C@H](NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1)c1ccccc1 ZINC000743838763 1077140168 /nfs/dbraw/zinc/14/01/68/1077140168.db2.gz XZHWMZKUDDLXOH-INIZCTEOSA-N 1 2 418.906 2.435 20 0 HEADLO Cc1c(NC(=O)C(=O)NCc2cc[nH+]c(N3CCCC3)c2)cccc1N1CCOC1=O ZINC000743882062 1077169618 /nfs/dbraw/zinc/16/96/18/1077169618.db2.gz YKERYUSOIWCGLG-UHFFFAOYSA-N 1 2 423.473 2.202 20 0 HEADLO Cc1c(NC(=O)C(=O)NCc2ccccc2-n2cc[nH+]c2)cccc1N1CCOC1=O ZINC000743898232 1077210879 /nfs/dbraw/zinc/21/08/79/1077210879.db2.gz RRAPLHVVMXDJDX-UHFFFAOYSA-N 1 2 419.441 2.392 20 0 HEADLO Cc1c(NC(=O)C(=O)NCC[NH+]2Cc3ccccc3C2)cccc1N1CCOC1=O ZINC000743899123 1077212474 /nfs/dbraw/zinc/21/24/74/1077212474.db2.gz NTFRPVOFFMXODH-UHFFFAOYSA-N 1 2 408.458 2.022 20 0 HEADLO COc1cccc(/C=C(/C(=O)NCC[NH+]2Cc3ccccc3C2)n2nnnc2C)c1 ZINC000743921026 1077244981 /nfs/dbraw/zinc/24/49/81/1077244981.db2.gz GFVSHVDILHLZSP-BKUYFWCQSA-N 1 2 404.474 2.120 20 0 HEADLO C=CC(=O)NCc1ccc(C(=O)NCc2ccccc2OCC[NH+]2CCOCC2)cc1 ZINC000743926903 1077251959 /nfs/dbraw/zinc/25/19/59/1077251959.db2.gz FUFMILQFRGYTKU-UHFFFAOYSA-N 1 2 423.513 2.130 20 0 HEADLO Cc1ccc([C@@H](O)CNC(=O)NCc2ccccc2OCC[NH+]2CCOCC2)cc1 ZINC000744291594 1077357512 /nfs/dbraw/zinc/35/75/12/1077357512.db2.gz ARPXSNGPPWNYOX-NRFANRHFSA-N 1 2 413.518 2.239 20 0 HEADLO CCCCn1c2nc(C[N@H+](CC)C[C@H](O)c3ccc(C)cc3)n(C)c2c(=O)[nH]c1=O ZINC000744419794 1077378922 /nfs/dbraw/zinc/37/89/22/1077378922.db2.gz BHVRBIBMSWTULB-KRWDZBQOSA-N 1 2 413.522 2.500 20 0 HEADLO CCCCn1c2nc(C[N@@H+](CC)C[C@H](O)c3ccc(C)cc3)n(C)c2c(=O)[nH]c1=O ZINC000744419794 1077378932 /nfs/dbraw/zinc/37/89/32/1077378932.db2.gz BHVRBIBMSWTULB-KRWDZBQOSA-N 1 2 413.522 2.500 20 0 HEADLO COc1c(C)c[nH+]c(CNC(=O)N2CCN(Cc3cn4ccccc4n3)CC2)c1C ZINC000065388362 1077446514 /nfs/dbraw/zinc/44/65/14/1077446514.db2.gz ZBMRTKLDORUEMT-UHFFFAOYSA-N 1 2 408.506 2.382 20 0 HEADLO O=C(NCC[NH+]1Cc2ccccc2C1)C(=O)Nc1cc(N2CCCC2=O)ccc1F ZINC000744925702 1077653951 /nfs/dbraw/zinc/65/39/51/1077653951.db2.gz PQSBCIVXCAQZBF-UHFFFAOYSA-N 1 2 410.449 2.023 20 0 HEADLO CCOC(=O)N1CCN(C(=O)[C@H](C)OC(=O)[C@H](c2ccccc2)[NH+](CC)CC)CC1 ZINC000744998244 1077700577 /nfs/dbraw/zinc/70/05/77/1077700577.db2.gz QLUBPEOVXRHGIO-HKUYNNGSSA-N 1 2 419.522 2.302 20 0 HEADLO C[C@@H](OC(=O)[C@H]1CCCC[N@@H+]1C)C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21 ZINC000745080791 1077734838 /nfs/dbraw/zinc/73/48/38/1077734838.db2.gz UORXZVNWSOPAIL-IAQYHMDHSA-N 1 2 413.396 2.407 20 0 HEADLO C[C@@H](OC(=O)[C@H]1CCCC[N@H+]1C)C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21 ZINC000745080791 1077734855 /nfs/dbraw/zinc/73/48/55/1077734855.db2.gz UORXZVNWSOPAIL-IAQYHMDHSA-N 1 2 413.396 2.407 20 0 HEADLO Cc1cc(N2CCN(C(=O)COC(=O)[C@H]3Cc4ccccc43)CC2)nc(C(C)C)[nH+]1 ZINC000745378484 1077815166 /nfs/dbraw/zinc/81/51/66/1077815166.db2.gz CFGNVGHLWKZZTC-IBGZPJMESA-N 1 2 408.502 2.440 20 0 HEADLO COc1ccccc1[C@@H](NC(=O)N1CCC[C@H]1C[NH+]1CCOCC1)c1nccn1C ZINC000745402194 1077818583 /nfs/dbraw/zinc/81/85/83/1077818583.db2.gz ZSJZRHAKKITLGS-FXAWDEMLSA-N 1 2 413.522 2.024 20 0 HEADLO Cc1occc1C[N@H+](C)CC(=O)NCCN1C(=O)S/C(=C\c2cccnc2)C1=O ZINC000771795776 1079511870 /nfs/dbraw/zinc/51/18/70/1079511870.db2.gz JRMRJFBNYGRTIS-YVLHZVERSA-N 1 2 414.487 2.268 20 0 HEADLO Cc1occc1C[N@@H+](C)CC(=O)NCCN1C(=O)S/C(=C\c2cccnc2)C1=O ZINC000771795776 1079511883 /nfs/dbraw/zinc/51/18/83/1079511883.db2.gz JRMRJFBNYGRTIS-YVLHZVERSA-N 1 2 414.487 2.268 20 0 HEADLO Cc1cc(N2CCN(C(=O)c3cc(S(C)(=O)=O)ccc3F)CC2)nc(C(C)C)[nH+]1 ZINC000771826207 1079549192 /nfs/dbraw/zinc/54/91/92/1079549192.db2.gz HPNTVDWTGPINPK-UHFFFAOYSA-N 1 2 420.510 2.413 20 0 HEADLO COC(=O)C[C@H]1CCC[N@@H+]1Cn1c2cc(S(=O)(=O)N(C)C)ccc2oc1=S ZINC000771868204 1079558279 /nfs/dbraw/zinc/55/82/79/1079558279.db2.gz MRWSVQJUAQICSU-GFCCVEGCSA-N 1 2 413.521 2.199 20 0 HEADLO COC(=O)C[C@H]1CCC[N@H+]1Cn1c2cc(S(=O)(=O)N(C)C)ccc2oc1=S ZINC000771868204 1079558296 /nfs/dbraw/zinc/55/82/96/1079558296.db2.gz MRWSVQJUAQICSU-GFCCVEGCSA-N 1 2 413.521 2.199 20 0 HEADLO O=C(CCCN1C(=O)c2ccc(Br)cc2C1=O)OCCn1cc[nH+]c1 ZINC000771869977 1079559135 /nfs/dbraw/zinc/55/91/35/1079559135.db2.gz IHXPLWAUCLRJJY-UHFFFAOYSA-N 1 2 406.236 2.265 20 0 HEADLO COCCS(=O)(=O)c1ccc(Cl)c(C(=O)OCCn2cc[nH+]c2)c1Cl ZINC000771957136 1079603290 /nfs/dbraw/zinc/60/32/90/1079603290.db2.gz GDFKAGPKIDGKHG-UHFFFAOYSA-N 1 2 407.275 2.467 20 0 HEADLO O=C(CN1CC[NH+](Cc2cccc(F)c2)CC1)Nc1ccccc1C(=O)NC1CC1 ZINC000767041852 1079625744 /nfs/dbraw/zinc/62/57/44/1079625744.db2.gz RZIOVIZCGBNQDG-UHFFFAOYSA-N 1 2 410.493 2.474 20 0 HEADLO O=C(NCCS(=O)(=O)NCc1ccccc1-n1cc[nH+]c1)OCc1ccccc1 ZINC000767080467 1079651744 /nfs/dbraw/zinc/65/17/44/1079651744.db2.gz FBXABKXDCMXRCU-UHFFFAOYSA-N 1 2 414.487 2.218 20 0 HEADLO CN(Cc1ccccc1Br)C(=O)COC(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000772050772 1079671380 /nfs/dbraw/zinc/67/13/80/1079671380.db2.gz YEYDVIFRJUZSIH-CQSZACIVSA-N 1 2 415.353 2.388 20 0 HEADLO CN(Cc1ccccc1Br)C(=O)COC(=O)C[N@@H+](C)[C@@H]1CCSC1 ZINC000772050772 1079671386 /nfs/dbraw/zinc/67/13/86/1079671386.db2.gz YEYDVIFRJUZSIH-CQSZACIVSA-N 1 2 415.353 2.388 20 0 HEADLO COc1ccc(OC)c([C@H](C)NC(=O)[C@H](C)OC(=O)C[N@H+](C)[C@@H]2CCSC2)c1 ZINC000767116874 1079683638 /nfs/dbraw/zinc/68/36/38/1079683638.db2.gz NSTFYYMYOSVMQX-SOUVJXGZSA-N 1 2 410.536 2.250 20 0 HEADLO COc1ccc(OC)c([C@H](C)NC(=O)[C@H](C)OC(=O)C[N@@H+](C)[C@@H]2CCSC2)c1 ZINC000767116874 1079683662 /nfs/dbraw/zinc/68/36/62/1079683662.db2.gz NSTFYYMYOSVMQX-SOUVJXGZSA-N 1 2 410.536 2.250 20 0 HEADLO C[N@H+](CC(=O)OCC(=O)NCc1ccc(F)cc1C(F)(F)F)[C@H]1CCSC1 ZINC000767118598 1079686567 /nfs/dbraw/zinc/68/65/67/1079686567.db2.gz XCPDUCJCBQFNAH-ZDUSSCGKSA-N 1 2 408.417 2.441 20 0 HEADLO C[N@@H+](CC(=O)OCC(=O)NCc1ccc(F)cc1C(F)(F)F)[C@H]1CCSC1 ZINC000767118598 1079686583 /nfs/dbraw/zinc/68/65/83/1079686583.db2.gz XCPDUCJCBQFNAH-ZDUSSCGKSA-N 1 2 408.417 2.441 20 0 HEADLO COC(=O)c1c(C)c(C)sc1NC(=O)COC(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000772062537 1079704600 /nfs/dbraw/zinc/70/46/00/1079704600.db2.gz RDXOLPPUYHVGDM-LBPRGKRZSA-N 1 2 400.522 2.071 20 0 HEADLO COC(=O)c1c(C)c(C)sc1NC(=O)COC(=O)C[N@@H+](C)[C@H]1CCSC1 ZINC000772062537 1079704612 /nfs/dbraw/zinc/70/46/12/1079704612.db2.gz RDXOLPPUYHVGDM-LBPRGKRZSA-N 1 2 400.522 2.071 20 0 HEADLO COC(=O)/C=C/c1ccc(OCC[NH+]2CCN(C(=O)N3CCCCC3)CC2)cc1 ZINC000767300490 1079800244 /nfs/dbraw/zinc/80/02/44/1079800244.db2.gz SFMAYORAJACSTN-JXMROGBWSA-N 1 2 401.507 2.475 20 0 HEADLO COc1cc(NC(=O)C2CC2)c(C(=O)OCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)cc1OC ZINC000767413032 1079838151 /nfs/dbraw/zinc/83/81/51/1079838151.db2.gz QSMIJKGFYILRRR-GASCZTMLSA-N 1 2 404.463 2.072 20 0 HEADLO COc1cc(NC(=O)C2CC2)c(C(=O)OCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)cc1OC ZINC000767413032 1079838155 /nfs/dbraw/zinc/83/81/55/1079838155.db2.gz QSMIJKGFYILRRR-GASCZTMLSA-N 1 2 404.463 2.072 20 0 HEADLO O=C1O[C@H](Cn2nnc([C@@H]3C[N@H+](Cc4ccccc4)CCO3)n2)CN1c1ccccc1 ZINC000767391790 1079843007 /nfs/dbraw/zinc/84/30/07/1079843007.db2.gz GOIHMPNHFJNZNB-PMACEKPBSA-N 1 2 420.473 2.272 20 0 HEADLO O=C1O[C@H](Cn2nnc([C@@H]3C[N@@H+](Cc4ccccc4)CCO3)n2)CN1c1ccccc1 ZINC000767391790 1079843010 /nfs/dbraw/zinc/84/30/10/1079843010.db2.gz GOIHMPNHFJNZNB-PMACEKPBSA-N 1 2 420.473 2.272 20 0 HEADLO O=C(NCCNS(=O)(=O)c1cccc(Cl)c1Cl)c1cccc2[nH+]ccn21 ZINC000804354966 1079855459 /nfs/dbraw/zinc/85/54/59/1079855459.db2.gz STXOTPGZCKFROY-UHFFFAOYSA-N 1 2 413.286 2.349 20 0 HEADLO O=C(Cc1csc(NC(=O)c2ccccc2)n1)OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000767464083 1079866216 /nfs/dbraw/zinc/86/62/16/1079866216.db2.gz UUNDFHOHQDRZDD-CALCHBBNSA-N 1 2 401.488 2.344 20 0 HEADLO O=C(Cc1csc(NC(=O)c2ccccc2)n1)OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000767464083 1079866221 /nfs/dbraw/zinc/86/62/21/1079866221.db2.gz UUNDFHOHQDRZDD-CALCHBBNSA-N 1 2 401.488 2.344 20 0 HEADLO CCOC(=O)C1=NN(c2ccccc2)[C@H](C(=O)NCCc2cn3cccc(C)c3[nH+]2)C1 ZINC000746539360 1079872600 /nfs/dbraw/zinc/87/26/00/1079872600.db2.gz HZRWEQUYHRRYOP-FQEVSTJZSA-N 1 2 419.485 2.499 20 0 HEADLO CN(C)c1cc(COC(=O)CNS(=O)(=O)c2cccc(C(F)(F)F)c2)cc[nH+]1 ZINC000767448492 1079875912 /nfs/dbraw/zinc/87/59/12/1079875912.db2.gz BULXQDIIMYXWCC-UHFFFAOYSA-N 1 2 417.409 2.188 20 0 HEADLO O=C(Cc1ccc(F)cc1)N1CCC[C@H](C(=O)OCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000767505692 1079909356 /nfs/dbraw/zinc/90/93/56/1079909356.db2.gz LPNKPQZGKWOIRT-YSIASYRMSA-N 1 2 404.482 2.013 20 0 HEADLO O=C(Cc1ccc(F)cc1)N1CCC[C@H](C(=O)OCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000767505692 1079909362 /nfs/dbraw/zinc/90/93/62/1079909362.db2.gz LPNKPQZGKWOIRT-YSIASYRMSA-N 1 2 404.482 2.013 20 0 HEADLO Cc1ccccc1NC(=O)COC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000767539509 1079943916 /nfs/dbraw/zinc/94/39/16/1079943916.db2.gz RTMLPFSTHVOWIC-UHFFFAOYSA-N 1 2 410.474 2.001 20 0 HEADLO COc1cc(C)c(C[NH+]2CCN(C(=O)COC(=O)Cc3ccoc3)CC2)cc1OC ZINC000772571740 1079973052 /nfs/dbraw/zinc/97/30/52/1079973052.db2.gz HCLFPKRYYRNECR-UHFFFAOYSA-N 1 2 416.474 2.035 20 0 HEADLO CC(C)(C)OC(=O)N1CCSC[C@H]1CC(=O)OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000767573347 1079984745 /nfs/dbraw/zinc/98/47/45/1079984745.db2.gz CTMGUPKFEHIDOS-OAGGEKHMSA-N 1 2 400.541 2.135 20 0 HEADLO CC(C)(C)OC(=O)N1CCSC[C@H]1CC(=O)OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000767573347 1079984756 /nfs/dbraw/zinc/98/47/56/1079984756.db2.gz CTMGUPKFEHIDOS-OAGGEKHMSA-N 1 2 400.541 2.135 20 0 HEADLO O=C(C[C@@H](O)c1ccc(Cl)cc1)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000772626899 1079986661 /nfs/dbraw/zinc/98/66/61/1079986661.db2.gz AZWFJXUEDWIXQE-GOSISDBHSA-N 1 2 416.909 2.014 20 0 HEADLO Cn1cc[nH+]c1[C@@H]1CCCN(S(=O)(=O)[C@@H]2CCCN(C(=O)c3ccccc3)C2)C1 ZINC000767655820 1080023115 /nfs/dbraw/zinc/02/31/15/1080023115.db2.gz NLAFLUCMBGJPLS-RTBURBONSA-N 1 2 416.547 2.234 20 0 HEADLO C[C@@H]1CCC[C@H](NC(=O)C[NH+]2CCN(c3ccc(NS(C)(=O)=O)cc3)CC2)[C@H]1C ZINC000767744309 1080062127 /nfs/dbraw/zinc/06/21/27/1080062127.db2.gz AHAAIEGUFDRLAG-UWVAXJGDSA-N 1 2 422.595 2.121 20 0 HEADLO CCCCC[C@H](C)NC(=O)C[NH+]1CCN(c2ccc(NS(C)(=O)=O)cc2)CC1 ZINC000767747376 1080064317 /nfs/dbraw/zinc/06/43/17/1080064317.db2.gz VEUXDLWHZZDGDW-KRWDZBQOSA-N 1 2 410.584 2.265 20 0 HEADLO CC(C)(C)OC(=O)N1C[C@@H]([N@@H+]2CCc3ccncc3C2)C[C@H]1C(=O)N1CCSC1 ZINC001170047792 1080064811 /nfs/dbraw/zinc/06/48/11/1080064811.db2.gz IBDXGUCYYSPENK-ROUUACIJSA-N 1 2 418.563 2.351 20 0 HEADLO CC(C)(C)OC(=O)N1C[C@@H]([N@H+]2CCc3ccncc3C2)C[C@H]1C(=O)N1CCSC1 ZINC001170047792 1080064823 /nfs/dbraw/zinc/06/48/23/1080064823.db2.gz IBDXGUCYYSPENK-ROUUACIJSA-N 1 2 418.563 2.351 20 0 HEADLO Cc1ccc(NC(=O)C[NH+]2CCN(c3ccc(NS(C)(=O)=O)cc3)CC2)cc1C ZINC000767751364 1080067682 /nfs/dbraw/zinc/06/76/82/1080067682.db2.gz ATEDNTFLDVGXDK-UHFFFAOYSA-N 1 2 416.547 2.436 20 0 HEADLO CCc1nn(C)c(Cl)c1C(=O)OCC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000767835874 1080153692 /nfs/dbraw/zinc/15/36/92/1080153692.db2.gz QBKVXCAYVQDVMI-UHFFFAOYSA-N 1 2 420.897 2.264 20 0 HEADLO C[C@@H]1C[C@H]1C(=O)Nc1ccc(F)cc1C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000804359469 1080156814 /nfs/dbraw/zinc/15/68/14/1080156814.db2.gz RPUDKGFWYMLWIR-GDBMZVCRSA-N 1 2 415.469 2.201 20 0 HEADLO Cc1ccc(SCCOC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1C ZINC000785657962 1080178680 /nfs/dbraw/zinc/17/86/80/1080178680.db2.gz IPHACOWNTFOUFN-GOSISDBHSA-N 1 2 406.548 2.119 20 0 HEADLO C[C@H](OC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc(C(F)(F)F)cc1 ZINC000785664067 1080185251 /nfs/dbraw/zinc/18/52/51/1080185251.db2.gz QTMUCNKARIGNAA-HOCLYGCPSA-N 1 2 414.424 2.490 20 0 HEADLO CC(C)Oc1ccc(COC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1Cl ZINC000785664720 1080186129 /nfs/dbraw/zinc/18/61/29/1080186129.db2.gz UBSQMEARSDYMFG-KRWDZBQOSA-N 1 2 424.925 2.351 20 0 HEADLO CCOC(=O)C1C(COC(=O)C[NH+]2[C@H](C)CC[C@H]2C)=NC(=O)N[C@@H]1c1ccccc1 ZINC000785736332 1080208751 /nfs/dbraw/zinc/20/87/51/1080208751.db2.gz XYGHDNTUSMOSEF-STXHMFSFSA-N 1 2 415.490 2.274 20 0 HEADLO COCCOC(=O)c1sc2[nH]c(C[N@@H+]3CCCC[C@@H](COC)C3)nc(=O)c2c1C ZINC000767946522 1080237530 /nfs/dbraw/zinc/23/75/30/1080237530.db2.gz FCAKZHLSZOLXRN-CQSZACIVSA-N 1 2 423.535 2.345 20 0 HEADLO COCCOC(=O)c1sc2[nH]c(C[N@H+]3CCCC[C@@H](COC)C3)nc(=O)c2c1C ZINC000767946522 1080237537 /nfs/dbraw/zinc/23/75/37/1080237537.db2.gz FCAKZHLSZOLXRN-CQSZACIVSA-N 1 2 423.535 2.345 20 0 HEADLO CN(C)c1ccc([NH+]2CCC(NC(=O)C(=O)Nc3cnn(C(F)F)c3)CC2)cc1 ZINC000768172088 1080384449 /nfs/dbraw/zinc/38/44/49/1080384449.db2.gz FZTHGWQLKFXXEM-UHFFFAOYSA-N 1 2 406.437 2.068 20 0 HEADLO CCN(CC)S(=O)(=O)N1CC[NH+](Cc2sc3nc(C)nc(C)c3c2C)CC1 ZINC000768216972 1080419786 /nfs/dbraw/zinc/41/97/86/1080419786.db2.gz KMXJBGZKXIHVGH-UHFFFAOYSA-N 1 2 411.597 2.321 20 0 HEADLO CN(C)S(=O)(=O)N1CC[NH+](Cc2ccc(OCc3ccccc3F)cc2)CC1 ZINC000768249409 1080439610 /nfs/dbraw/zinc/43/96/10/1080439610.db2.gz FPVHVIIIGZCABT-UHFFFAOYSA-N 1 2 407.511 2.329 20 0 HEADLO COCC[N@H+](CC(=O)Nc1ccccc1C(=O)NCc1ccccc1)[C@H]1CCOC1 ZINC000786191351 1080466700 /nfs/dbraw/zinc/46/67/00/1080466700.db2.gz HIAWSFXYCFDNRQ-IBGZPJMESA-N 1 2 411.502 2.292 20 0 HEADLO COCC[N@@H+](CC(=O)Nc1ccccc1C(=O)NCc1ccccc1)[C@H]1CCOC1 ZINC000786191351 1080466711 /nfs/dbraw/zinc/46/67/11/1080466711.db2.gz HIAWSFXYCFDNRQ-IBGZPJMESA-N 1 2 411.502 2.292 20 0 HEADLO Cc1ccc(N2CCNC2=O)cc1NC(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000786241625 1080516378 /nfs/dbraw/zinc/51/63/78/1080516378.db2.gz HPNDNSHBHQAHRR-SFHVURJKSA-N 1 2 401.511 2.243 20 0 HEADLO CCc1ccc([C@]2(CC)NC(=O)N(C[N@@H+]3CCC[C@@H](N4CCCC4=O)C3)C2=O)cc1 ZINC000768485861 1080578836 /nfs/dbraw/zinc/57/88/36/1080578836.db2.gz XVHSTXHPKFKWFE-XXBNENTESA-N 1 2 412.534 2.450 20 0 HEADLO CCc1ccc([C@]2(CC)NC(=O)N(C[N@H+]3CCC[C@@H](N4CCCC4=O)C3)C2=O)cc1 ZINC000768485861 1080578843 /nfs/dbraw/zinc/57/88/43/1080578843.db2.gz XVHSTXHPKFKWFE-XXBNENTESA-N 1 2 412.534 2.450 20 0 HEADLO CCc1ccc([C@]2(CC)NC(=O)N(C[N@@H+]3CCC[C@H](N4CCCC4=O)C3)C2=O)cc1 ZINC000768485859 1080578859 /nfs/dbraw/zinc/57/88/59/1080578859.db2.gz XVHSTXHPKFKWFE-CVDCTZTESA-N 1 2 412.534 2.450 20 0 HEADLO CCc1ccc([C@]2(CC)NC(=O)N(C[N@H+]3CCC[C@H](N4CCCC4=O)C3)C2=O)cc1 ZINC000768485859 1080578868 /nfs/dbraw/zinc/57/88/68/1080578868.db2.gz XVHSTXHPKFKWFE-CVDCTZTESA-N 1 2 412.534 2.450 20 0 HEADLO COc1cccc(OCC[NH+]2CCN(C(=O)[C@@]3(O)CCc4ccccc4C3)CC2)c1 ZINC000786392843 1080584104 /nfs/dbraw/zinc/58/41/04/1080584104.db2.gz PZUQXYVSRRQVLN-XMMPIXPASA-N 1 2 410.514 2.138 20 0 HEADLO C[N@@H+]1CCN(C(=O)Nc2cccnc2N2CCCC2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000768497255 1080592809 /nfs/dbraw/zinc/59/28/09/1080592809.db2.gz IQHJGTFHRMXTFB-MRXNPFEDSA-N 1 2 418.542 2.354 20 0 HEADLO C[N@H+]1CCN(C(=O)Nc2cccnc2N2CCCC2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000768497255 1080592818 /nfs/dbraw/zinc/59/28/18/1080592818.db2.gz IQHJGTFHRMXTFB-MRXNPFEDSA-N 1 2 418.542 2.354 20 0 HEADLO COC(=O)c1ccc(C)c(NC(=O)N2CC[N@H+](C)C[C@@H]2CNC(=O)OC(C)(C)C)c1 ZINC000768499141 1080593805 /nfs/dbraw/zinc/59/38/05/1080593805.db2.gz WIVBZIMFQSMEAD-INIZCTEOSA-N 1 2 420.510 2.454 20 0 HEADLO COC(=O)c1ccc(C)c(NC(=O)N2CC[N@@H+](C)C[C@@H]2CNC(=O)OC(C)(C)C)c1 ZINC000768499141 1080593812 /nfs/dbraw/zinc/59/38/12/1080593812.db2.gz WIVBZIMFQSMEAD-INIZCTEOSA-N 1 2 420.510 2.454 20 0 HEADLO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCCN1Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000768542837 1080619312 /nfs/dbraw/zinc/61/93/12/1080619312.db2.gz HVWYYLAALNUXON-HKUYNNGSSA-N 1 2 418.586 2.496 20 0 HEADLO C[C@@](O)(CCNC(=O)C(=O)NCc1cc[nH+]c(N2CCCCC2)c1)c1ccccc1 ZINC000786468137 1080645689 /nfs/dbraw/zinc/64/56/89/1080645689.db2.gz QVUNDJNPXIZWFO-HSZRJFAPSA-N 1 2 410.518 2.102 20 0 HEADLO O=C(NCc1ccccc1OCC[NH+]1CCOCC1)c1ccc(Br)nc1 ZINC000746593801 1080748834 /nfs/dbraw/zinc/74/88/34/1080748834.db2.gz PZFFKLFWRPAVLP-UHFFFAOYSA-N 1 2 420.307 2.485 20 0 HEADLO C[N@@H+]1CCN(C(=O)NCCc2ccc(F)c(F)c2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000786831608 1080828395 /nfs/dbraw/zinc/82/83/95/1080828395.db2.gz SLWFVSYYMRDCPE-OAHLLOKOSA-N 1 2 412.481 2.358 20 0 HEADLO C[N@H+]1CCN(C(=O)NCCc2ccc(F)c(F)c2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000786831608 1080828399 /nfs/dbraw/zinc/82/83/99/1080828399.db2.gz SLWFVSYYMRDCPE-OAHLLOKOSA-N 1 2 412.481 2.358 20 0 HEADLO Cc1cc(CCNC(=O)N2CC[N@@H+](C)C[C@@H]2CNC(=O)OC(C)(C)C)cc(C)c1O ZINC000786872887 1080863579 /nfs/dbraw/zinc/86/35/79/1080863579.db2.gz VSVHSPAEJGIEBY-SFHVURJKSA-N 1 2 420.554 2.402 20 0 HEADLO Cc1cc(CCNC(=O)N2CC[N@H+](C)C[C@@H]2CNC(=O)OC(C)(C)C)cc(C)c1O ZINC000786872887 1080863584 /nfs/dbraw/zinc/86/35/84/1080863584.db2.gz VSVHSPAEJGIEBY-SFHVURJKSA-N 1 2 420.554 2.402 20 0 HEADLO O=C(COC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)NC(=O)c1ccc(OC(F)F)cc1 ZINC000786881523 1080884743 /nfs/dbraw/zinc/88/47/43/1080884743.db2.gz GKRYTPVADHCDHZ-MRXNPFEDSA-N 1 2 410.417 2.495 20 0 HEADLO O=C(COC(=O)[C@H]1CCC[N@H+]1C1CCCC1)NC(=O)c1ccc(OC(F)F)cc1 ZINC000786881523 1080884747 /nfs/dbraw/zinc/88/47/47/1080884747.db2.gz GKRYTPVADHCDHZ-MRXNPFEDSA-N 1 2 410.417 2.495 20 0 HEADLO CC(C)Oc1ccc(COC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)cc1 ZINC000786998287 1080910224 /nfs/dbraw/zinc/91/02/24/1080910224.db2.gz JIAQSOTVMRHCCF-HXUWFJFHSA-N 1 2 404.507 2.230 20 0 HEADLO O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)OCc1cccc(C(F)(F)F)c1 ZINC000787002233 1080915786 /nfs/dbraw/zinc/91/57/86/1080915786.db2.gz URWBYZYXENWASA-KRWDZBQOSA-N 1 2 414.424 2.462 20 0 HEADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)C(=O)NCCc2ccccc2OC(F)F)C1 ZINC000787007758 1080922682 /nfs/dbraw/zinc/92/26/82/1080922682.db2.gz VZYUZKCILOPXMK-OAHLLOKOSA-N 1 2 406.433 2.086 20 0 HEADLO COC(=O)[C@@H](C)NC(=O)c1ccc(F)cc1NC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000769139160 1080956439 /nfs/dbraw/zinc/95/64/39/1080956439.db2.gz LZVLPGCNWYTRNE-CYBMUJFWSA-N 1 2 412.421 2.254 20 0 HEADLO CN(C)c1ccc([NH+]2CCC(NC(=O)C(=O)NCc3cc(F)ccc3F)CC2)cc1 ZINC000787042377 1080965668 /nfs/dbraw/zinc/96/56/68/1080965668.db2.gz WNGWQIJKDDQXRT-UHFFFAOYSA-N 1 2 416.472 2.432 20 0 HEADLO CC(C)(C)OC(=O)N[C@H](C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)C(C)(C)C ZINC000769195447 1080998481 /nfs/dbraw/zinc/99/84/81/1080998481.db2.gz XVPAYVUBETUCNO-MRXNPFEDSA-N 1 2 409.531 2.093 20 0 HEADLO CC(C)(C)OC(=O)c1ccccc1OCC[NH+]1CCN(c2nc(N)ns2)CC1 ZINC000769215619 1081004803 /nfs/dbraw/zinc/00/48/03/1081004803.db2.gz BEDRDXUZHASGHC-UHFFFAOYSA-N 1 2 405.524 2.277 20 0 HEADLO Cc1cccn2cc(CCNC(=O)c3cc(S(=O)(=O)N(C)C)ccc3F)[nH+]c12 ZINC000746640122 1081016462 /nfs/dbraw/zinc/01/64/62/1081016462.db2.gz MUKLGZQIJKGTEY-UHFFFAOYSA-N 1 2 404.467 2.005 20 0 HEADLO C[C@@H]1C[C@H](C)CN(C(=O)CN2CC[NH+]([C@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)C1 ZINC000769284168 1081031183 /nfs/dbraw/zinc/03/11/83/1081031183.db2.gz HKBAINWMCBQZMC-OTWHNJEPSA-N 1 2 408.587 2.118 20 0 HEADLO C[C@@H](C(=O)N1CCCCCC1)[NH+]1CCN([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000769298336 1081033962 /nfs/dbraw/zinc/03/39/62/1081033962.db2.gz IYFORPWRWNQLSZ-OALUTQOASA-N 1 2 408.587 2.405 20 0 HEADLO C[C@@H](C(=O)N1CCCCCC1)N1CC[NH+]([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000769298336 1081033969 /nfs/dbraw/zinc/03/39/69/1081033969.db2.gz IYFORPWRWNQLSZ-OALUTQOASA-N 1 2 408.587 2.405 20 0 HEADLO CCOC(=O)N1CCC(NC(=O)C[N@H+](CC)Cc2ccc(OC)cc2OC)CC1 ZINC000746651793 1081038284 /nfs/dbraw/zinc/03/82/84/1081038284.db2.gz LMKXLTGHJTZOBU-UHFFFAOYSA-N 1 2 407.511 2.263 20 0 HEADLO CCOC(=O)N1CCC(NC(=O)C[N@@H+](CC)Cc2ccc(OC)cc2OC)CC1 ZINC000746651793 1081038290 /nfs/dbraw/zinc/03/82/90/1081038290.db2.gz LMKXLTGHJTZOBU-UHFFFAOYSA-N 1 2 407.511 2.263 20 0 HEADLO CN(C(=O)CN1CC[NH+]([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1)C1CCCCC1 ZINC000769320749 1081041423 /nfs/dbraw/zinc/04/14/23/1081041423.db2.gz WQWKDIQVLOYGLK-LJQANCHMSA-N 1 2 408.587 2.405 20 0 HEADLO COc1ccc(CN2CC[NH+](CC[S@](C)=O)CC2)cc1OCc1cccnc1 ZINC000769480776 1081078101 /nfs/dbraw/zinc/07/81/01/1081078101.db2.gz PEYSPCIHKKAUJV-NDEPHWFRSA-N 1 2 403.548 2.165 20 0 HEADLO C[C@H]1CN=C(N2CC[NH+](Cc3ccccc3OCC(=O)NCC3CC3)CC2)S1 ZINC000769487036 1081080188 /nfs/dbraw/zinc/08/01/88/1081080188.db2.gz GUJUMJUMXBPWPT-INIZCTEOSA-N 1 2 402.564 2.201 20 0 HEADLO CCOc1cc(/C=C/C(=O)NCC2([NH+]3CCOCC3)CC(OCC)C2)ccc1O ZINC000769459592 1081086708 /nfs/dbraw/zinc/08/67/08/1081086708.db2.gz VXCSCRLEIMQGCO-SOFGYWHQSA-N 1 2 404.507 2.190 20 0 HEADLO CN(C[C@H]1CCCN1Cc1cnc(N2CC[NH+](C)CC2)nc1)C(=O)OC(C)(C)C ZINC000769548040 1081121288 /nfs/dbraw/zinc/12/12/88/1081121288.db2.gz JCMLUKLQCSPILD-GOSISDBHSA-N 1 2 404.559 2.060 20 0 HEADLO CN(C)C(=O)COc1ccc(C(F)(F)C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000769569756 1081128668 /nfs/dbraw/zinc/12/86/68/1081128668.db2.gz GACJMMLNNCGRSF-MRXNPFEDSA-N 1 2 406.433 2.306 20 0 HEADLO O=C(COC(=O)c1coc(C2CCC2)n1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000769637524 1081157972 /nfs/dbraw/zinc/15/79/72/1081157972.db2.gz GTQMGHVXEUZXRO-UHFFFAOYSA-N 1 2 413.474 2.248 20 0 HEADLO CCc1nc(Cl)c(N2CCC3(CC2)C(=O)N(CCOC)CC[N@H+]3C)c(Cl)n1 ZINC001164644106 719281372 /nfs/dbraw/zinc/28/13/72/719281372.db2.gz CXZRNXJMXBQWDI-UHFFFAOYSA-N 1 2 416.353 2.105 20 0 HEADLO CCc1nc(Cl)c(N2CCC3(CC2)C(=O)N(CCOC)CC[N@@H+]3C)c(Cl)n1 ZINC001164644106 719281376 /nfs/dbraw/zinc/28/13/76/719281376.db2.gz CXZRNXJMXBQWDI-UHFFFAOYSA-N 1 2 416.353 2.105 20 0 HEADLO COCCN1CC[N@H+](C)C2(CCN(c3cc(-c4ccc(F)cc4)ncn3)CC2)C1=O ZINC001164644443 719281606 /nfs/dbraw/zinc/28/16/06/719281606.db2.gz JPECMSCHRAPJQL-UHFFFAOYSA-N 1 2 413.497 2.042 20 0 HEADLO COCCN1CC[N@@H+](C)C2(CCN(c3cc(-c4ccc(F)cc4)ncn3)CC2)C1=O ZINC001164644443 719281609 /nfs/dbraw/zinc/28/16/09/719281609.db2.gz JPECMSCHRAPJQL-UHFFFAOYSA-N 1 2 413.497 2.042 20 0 HEADLO COCCN1CC[N@H+](C)C2(CCN(c3ccc(-c4ccc(F)cc4)nn3)CC2)C1=O ZINC001164644879 719281704 /nfs/dbraw/zinc/28/17/04/719281704.db2.gz VULZMXBQHXMMOW-UHFFFAOYSA-N 1 2 413.497 2.042 20 0 HEADLO COCCN1CC[N@@H+](C)C2(CCN(c3ccc(-c4ccc(F)cc4)nn3)CC2)C1=O ZINC001164644879 719281708 /nfs/dbraw/zinc/28/17/08/719281708.db2.gz VULZMXBQHXMMOW-UHFFFAOYSA-N 1 2 413.497 2.042 20 0 HEADLO COCCN1CC[N@H+](C)C2(CCN(c3cc(C)nc(-c4ccsc4)n3)CC2)C1=O ZINC001164644857 719282199 /nfs/dbraw/zinc/28/21/99/719282199.db2.gz UULLNMOOXLEDKN-UHFFFAOYSA-N 1 2 415.563 2.273 20 0 HEADLO COCCN1CC[N@@H+](C)C2(CCN(c3cc(C)nc(-c4ccsc4)n3)CC2)C1=O ZINC001164644857 719282205 /nfs/dbraw/zinc/28/22/05/719282205.db2.gz UULLNMOOXLEDKN-UHFFFAOYSA-N 1 2 415.563 2.273 20 0 HEADLO COCCN1CC[N@H+](C)C2(CCN(c3cc(C)nc(-c4cccs4)n3)CC2)C1=O ZINC001164644449 719282587 /nfs/dbraw/zinc/28/25/87/719282587.db2.gz JUWMFJCEDOTDCN-UHFFFAOYSA-N 1 2 415.563 2.273 20 0 HEADLO COCCN1CC[N@@H+](C)C2(CCN(c3cc(C)nc(-c4cccs4)n3)CC2)C1=O ZINC001164644449 719282590 /nfs/dbraw/zinc/28/25/90/719282590.db2.gz JUWMFJCEDOTDCN-UHFFFAOYSA-N 1 2 415.563 2.273 20 0 HEADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(C)c2cc(OC)ccc2n1 ZINC001164705172 719858768 /nfs/dbraw/zinc/85/87/68/719858768.db2.gz UBTYTXUNDGUVRG-ZHRRBRCNSA-N 1 2 414.506 2.180 20 0 HEADLO CCCN(CCC)c1cncc(N2CC[C@@H]([NH+]3CCOCC3)C[C@]2(C)C(=O)OC)n1 ZINC001164706703 719862434 /nfs/dbraw/zinc/86/24/34/719862434.db2.gz YMPCYTQYUXJWRD-XMSQKQJNSA-N 1 2 419.570 2.336 20 0 HEADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(SC)cnc1Cl ZINC001164706642 719865627 /nfs/dbraw/zinc/86/56/27/719865627.db2.gz QFNVVJZMVQBAIW-SJKOYZFVSA-N 1 2 400.932 2.085 20 0 HEADLO C=Cc1nc(Cl)nc(N2CC[C@H]([NH+]3CCOCC3)C[C@@]2(C)C(=O)OC)c1OC ZINC001164699139 719866582 /nfs/dbraw/zinc/86/65/82/719866582.db2.gz AIBMSLPPDPIPQX-DJJJIMSYSA-N 1 2 410.902 2.014 20 0 HEADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc(C)nc(-c2ccncc2)n1 ZINC001164703203 719866827 /nfs/dbraw/zinc/86/68/27/719866827.db2.gz JYSSEXDOSJWYCZ-XMSQKQJNSA-N 1 2 411.506 2.080 20 0 HEADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc(C)nc(-c2ccccn2)n1 ZINC001164708193 719867314 /nfs/dbraw/zinc/86/73/14/719867314.db2.gz YIXNSMNSZVGGDM-VGSWGCGISA-N 1 2 411.506 2.080 20 0 HEADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1cc(-c3ccccc3)ccn1)CC2 ZINC001164702521 720047423 /nfs/dbraw/zinc/04/74/23/720047423.db2.gz GQVRUTXOUWLRKJ-UHFFFAOYSA-N 1 2 416.529 2.432 20 0 HEADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3nc(Cl)ccc3C)C2)C1 ZINC001164720531 720264838 /nfs/dbraw/zinc/26/48/38/720264838.db2.gz XVUHYQKOPOUJQI-SFHVURJKSA-N 1 2 416.900 2.253 20 0 HEADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3nc(Cl)ccc3C)C2)C1 ZINC001164720531 720264851 /nfs/dbraw/zinc/26/48/51/720264851.db2.gz XVUHYQKOPOUJQI-SFHVURJKSA-N 1 2 416.900 2.253 20 0 HEADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3ncccc3OCc3ccccc3)C2)C1 ZINC001164722002 720282940 /nfs/dbraw/zinc/28/29/40/720282940.db2.gz OFFPPPRUTLSJDR-DEOSSOPVSA-N 1 2 424.545 2.325 20 0 HEADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3ncccc3OCc3ccccc3)C2)C1 ZINC001164722002 720282945 /nfs/dbraw/zinc/28/29/45/720282945.db2.gz OFFPPPRUTLSJDR-DEOSSOPVSA-N 1 2 424.545 2.325 20 0 HEADLO CSc1cc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)ncn1 ZINC001164825714 720361160 /nfs/dbraw/zinc/36/11/60/720361160.db2.gz UCIZNZZBIGSNSK-UHFFFAOYSA-N 1 2 418.592 2.277 20 0 HEADLO CSc1cc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)ncn1 ZINC001164825714 720361165 /nfs/dbraw/zinc/36/11/65/720361165.db2.gz UCIZNZZBIGSNSK-UHFFFAOYSA-N 1 2 418.592 2.277 20 0 HEADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ncc(N)cc4Cl)CC3)C2=O)cs1 ZINC001164820728 720369595 /nfs/dbraw/zinc/36/95/95/720369595.db2.gz RNHUHMWPTHGIOB-UHFFFAOYSA-N 1 2 420.970 2.395 20 0 HEADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ncc(N)cc4Cl)CC3)C2=O)cs1 ZINC001164820728 720369602 /nfs/dbraw/zinc/36/96/02/720369602.db2.gz RNHUHMWPTHGIOB-UHFFFAOYSA-N 1 2 420.970 2.395 20 0 HEADLO CCc1ccc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)nn1 ZINC001164819342 720374261 /nfs/dbraw/zinc/37/42/61/720374261.db2.gz DGNFGBFXUXAKOY-UHFFFAOYSA-N 1 2 400.552 2.117 20 0 HEADLO CCc1ccc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)nn1 ZINC001164819342 720374272 /nfs/dbraw/zinc/37/42/72/720374272.db2.gz DGNFGBFXUXAKOY-UHFFFAOYSA-N 1 2 400.552 2.117 20 0 HEADLO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1nc(Cl)nc3c1S(=O)(=O)CC3)[C@H]2C ZINC001164862494 721020787 /nfs/dbraw/zinc/02/07/87/721020787.db2.gz QORLIRCAYDLYAL-LBPRGKRZSA-N 1 2 424.958 2.078 20 0 HEADLO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1nc(Cl)nc3c1S(=O)(=O)CC3)[C@H]2C ZINC001164862494 721020796 /nfs/dbraw/zinc/02/07/96/721020796.db2.gz QORLIRCAYDLYAL-LBPRGKRZSA-N 1 2 424.958 2.078 20 0 HEADLO COC(=O)CSc1cccc(N2CCCn3c(C[N@H+](C)C(C)C)nnc3C2)n1 ZINC001165008989 721711325 /nfs/dbraw/zinc/71/13/25/721711325.db2.gz MMJRLGAMVAYIHQ-UHFFFAOYSA-N 1 2 404.540 2.189 20 0 HEADLO COC(=O)CSc1cccc(N2CCCn3c(C[N@@H+](C)C(C)C)nnc3C2)n1 ZINC001165008989 721711334 /nfs/dbraw/zinc/71/13/34/721711334.db2.gz MMJRLGAMVAYIHQ-UHFFFAOYSA-N 1 2 404.540 2.189 20 0 HEADLO COC(=O)[C@H](C)c1c(Cl)ncnc1N1CCCn2c(C[N@H+](C)C(C)C)nnc2C1 ZINC001165009880 721721132 /nfs/dbraw/zinc/72/11/32/721721132.db2.gz BEZBVLDCLGHSHF-CYBMUJFWSA-N 1 2 421.933 2.249 20 0 HEADLO COC(=O)[C@H](C)c1c(Cl)ncnc1N1CCCn2c(C[N@@H+](C)C(C)C)nnc2C1 ZINC001165009880 721721135 /nfs/dbraw/zinc/72/11/35/721721135.db2.gz BEZBVLDCLGHSHF-CYBMUJFWSA-N 1 2 421.933 2.249 20 0 HEADLO Clc1cnc(Cl)nc1N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164913624 721770026 /nfs/dbraw/zinc/77/00/26/721770026.db2.gz YSCSIPIUDDABHT-GOSISDBHSA-N 1 2 410.305 2.286 20 0 HEADLO Clc1cnc(Cl)nc1N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164913624 721770035 /nfs/dbraw/zinc/77/00/35/721770035.db2.gz YSCSIPIUDDABHT-GOSISDBHSA-N 1 2 410.305 2.286 20 0 HEADLO Clc1cc(Cl)c(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nn1 ZINC001164910404 721771299 /nfs/dbraw/zinc/77/12/99/721771299.db2.gz BNXUYCJRLZJKNV-SFHVURJKSA-N 1 2 410.305 2.286 20 0 HEADLO Clc1cc(Cl)c(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nn1 ZINC001164910404 721771301 /nfs/dbraw/zinc/77/13/01/721771301.db2.gz BNXUYCJRLZJKNV-SFHVURJKSA-N 1 2 410.305 2.286 20 0 HEADLO Cc1nc(Cl)c(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nc1C ZINC001164914571 721782990 /nfs/dbraw/zinc/78/29/90/721782990.db2.gz FADNTLWLJVBKGO-HXUWFJFHSA-N 1 2 403.914 2.250 20 0 HEADLO Cc1nc(Cl)c(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nc1C ZINC001164914571 721782995 /nfs/dbraw/zinc/78/29/95/721782995.db2.gz FADNTLWLJVBKGO-HXUWFJFHSA-N 1 2 403.914 2.250 20 0 HEADLO c1cncc(C[N@@H+]2CCOC[C@]3(CN(c4ccc(-c5ccncc5)nn4)CCO3)C2)c1 ZINC001164913761 721797032 /nfs/dbraw/zinc/79/70/32/721797032.db2.gz GWUPRORGBMHXMM-HSZRJFAPSA-N 1 2 418.501 2.041 20 0 HEADLO c1cncc(C[N@H+]2CCOC[C@]3(CN(c4ccc(-c5ccncc5)nn4)CCO3)C2)c1 ZINC001164913761 721797034 /nfs/dbraw/zinc/79/70/34/721797034.db2.gz GWUPRORGBMHXMM-HSZRJFAPSA-N 1 2 418.501 2.041 20 0 HEADLO Cc1cc2ccncc2nc1N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164915679 721798606 /nfs/dbraw/zinc/79/86/06/721798606.db2.gz XMKSWGWCMWQMMU-QHCPKHFHSA-N 1 2 405.502 2.441 20 0 HEADLO Cc1cc2ccncc2nc1N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164915679 721798610 /nfs/dbraw/zinc/79/86/10/721798610.db2.gz XMKSWGWCMWQMMU-QHCPKHFHSA-N 1 2 405.502 2.441 20 0 HEADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2nc(Cl)nc3c2nc(C)n3C)CC1 ZINC001164918933 721818501 /nfs/dbraw/zinc/81/85/01/721818501.db2.gz XNJAKRBLZFFDTA-UHFFFAOYSA-N 1 2 400.918 2.271 20 0 HEADLO Cc1noc(C)c1CN1CCO[C@@H]2CN(c3cc(N4CCC[C@H](C)C4)[nH+]cn3)C[C@@H]21 ZINC001164944435 721960245 /nfs/dbraw/zinc/96/02/45/721960245.db2.gz KAKFZVYBHRCPHP-RYGJVYDSSA-N 1 2 412.538 2.407 20 0 HEADLO CSc1nc(Cl)nc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)n1 ZINC001164945812 721971755 /nfs/dbraw/zinc/97/17/55/721971755.db2.gz SMMAUSQJVXPFMC-UHFFFAOYSA-N 1 2 418.954 2.218 20 0 HEADLO CSc1nc(Cl)nc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)n1 ZINC001164945812 721971758 /nfs/dbraw/zinc/97/17/58/721971758.db2.gz SMMAUSQJVXPFMC-UHFFFAOYSA-N 1 2 418.954 2.218 20 0 HEADLO COC(=O)c1cc(C)cc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)n1 ZINC001164948440 721975578 /nfs/dbraw/zinc/97/55/78/721975578.db2.gz ZGJNGSWCHNJAGI-UHFFFAOYSA-N 1 2 408.502 2.148 20 0 HEADLO COC(=O)c1cc(C)cc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)n1 ZINC001164948440 721975583 /nfs/dbraw/zinc/97/55/83/721975583.db2.gz ZGJNGSWCHNJAGI-UHFFFAOYSA-N 1 2 408.502 2.148 20 0 HEADLO COC(OC)c1ccc(C(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)o1 ZINC000769676858 1078516425 /nfs/dbraw/zinc/51/64/25/1078516425.db2.gz HKWXTFSCBASXAY-UHFFFAOYSA-N 1 2 401.463 2.404 20 0 HEADLO CCN(CC1CCN(C(=O)N[C@@H](C)C[NH+]2CCOCC2)CC1)C(=O)OC(C)(C)C ZINC000745501491 1078516685 /nfs/dbraw/zinc/51/66/85/1078516685.db2.gz MTCJHVOPSGQKRY-KRWDZBQOSA-N 1 2 412.575 2.386 20 0 HEADLO C[C@H]1COCC[N@@H+]1CCNC(=O)N1CCC(CCN(C)C(=O)OC(C)(C)C)CC1 ZINC000769722666 1078535973 /nfs/dbraw/zinc/53/59/73/1078535973.db2.gz RDMWTWHXQPUBGC-KRWDZBQOSA-N 1 2 412.575 2.386 20 0 HEADLO C[C@H]1COCC[N@H+]1CCNC(=O)N1CCC(CCN(C)C(=O)OC(C)(C)C)CC1 ZINC000769722666 1078535985 /nfs/dbraw/zinc/53/59/85/1078535985.db2.gz RDMWTWHXQPUBGC-KRWDZBQOSA-N 1 2 412.575 2.386 20 0 HEADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2ccc(F)c(S(=O)(=O)N3CCCC3)c2)C1 ZINC000769770380 1078547966 /nfs/dbraw/zinc/54/79/66/1078547966.db2.gz JYHOICZTPWIARN-MRXNPFEDSA-N 1 2 420.510 2.364 20 0 HEADLO C[C@H]([NH2+]Cc1nnnn1CC1CCOCC1)c1cc(F)ccc1N1CCC(O)CC1 ZINC000769785846 1078565393 /nfs/dbraw/zinc/56/53/93/1078565393.db2.gz GOPRFKVIWNBGIO-HNNXBMFYSA-N 1 2 418.517 2.051 20 0 HEADLO C[C@H](C(=O)NC(=O)NCC(F)(F)F)[NH+]1CCC(O)(c2ccccc2Cl)CC1 ZINC000769806265 1078571227 /nfs/dbraw/zinc/57/12/27/1078571227.db2.gz JCHSIKGDGPKZFD-LLVKDONJSA-N 1 2 407.820 2.400 20 0 HEADLO Cc1ccc(CNC(=O)C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H]2OC[C@@H]4CCC[C@@H]42)C3)cc1 ZINC001109535844 1078593058 /nfs/dbraw/zinc/59/30/58/1078593058.db2.gz PZKZRDQPMMMUIA-IKHCIZMXSA-N 1 2 411.546 2.148 20 0 HEADLO Cc1ccc(CNC(=O)C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H]2OC[C@@H]4CCC[C@@H]42)C3)cc1 ZINC001109535844 1078593071 /nfs/dbraw/zinc/59/30/71/1078593071.db2.gz PZKZRDQPMMMUIA-IKHCIZMXSA-N 1 2 411.546 2.148 20 0 HEADLO Cc1cc(N2CCN(C(=O)COC(=O)CC[C@@H]3CC[C@H](C)O3)CC2)nc(C(C)C)[nH+]1 ZINC000745713550 1078603589 /nfs/dbraw/zinc/60/35/89/1078603589.db2.gz UHELMOVGCXSIPO-ROUUACIJSA-N 1 2 418.538 2.448 20 0 HEADLO Cc1ccc(N2CCC[C@@H](NC(=O)NC[C@]3([NH+]4CCOCC4)CCSC3)C2)cc1 ZINC000745737013 1078622411 /nfs/dbraw/zinc/62/24/11/1078622411.db2.gz MYZJXWRUBLAWQQ-DENIHFKCSA-N 1 2 418.607 2.471 20 0 HEADLO O=C(NCc1ccc(N2CCCCC2=O)cc1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000745744454 1078632381 /nfs/dbraw/zinc/63/23/81/1078632381.db2.gz HBENJXDLIDMQHO-HXUWFJFHSA-N 1 2 400.523 2.210 20 0 HEADLO C[N@H+](CC(F)F)C1CCN(C(=O)c2nccn3c(Br)cnc23)CC1 ZINC000769920190 1078635506 /nfs/dbraw/zinc/63/55/06/1078635506.db2.gz MUKSKNGUEDHFIZ-UHFFFAOYSA-N 1 2 402.243 2.293 20 0 HEADLO C[N@@H+](CC(F)F)C1CCN(C(=O)c2nccn3c(Br)cnc23)CC1 ZINC000769920190 1078635510 /nfs/dbraw/zinc/63/55/10/1078635510.db2.gz MUKSKNGUEDHFIZ-UHFFFAOYSA-N 1 2 402.243 2.293 20 0 HEADLO CC(C)(C)OC(=O)N1CCCC[C@H]1CNC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000745783484 1078641367 /nfs/dbraw/zinc/64/13/67/1078641367.db2.gz SZJURSFPCFFFMR-ROUUACIJSA-N 1 2 410.559 2.282 20 0 HEADLO C[C@@H]1C[N@H+](CCNC(=O)NC[C@H](NC(=O)OC(C)(C)C)c2ccccc2)CCO1 ZINC000745794274 1078650056 /nfs/dbraw/zinc/65/00/56/1078650056.db2.gz YGVQXMABUHSJNO-AEFFLSMTSA-N 1 2 406.527 2.272 20 0 HEADLO C[C@@H]1C[N@@H+](CCNC(=O)NC[C@H](NC(=O)OC(C)(C)C)c2ccccc2)CCO1 ZINC000745794274 1078650058 /nfs/dbraw/zinc/65/00/58/1078650058.db2.gz YGVQXMABUHSJNO-AEFFLSMTSA-N 1 2 406.527 2.272 20 0 HEADLO Cn1ccnc1[C@H](O)[C@H]1CCCN(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC000769970504 1078659476 /nfs/dbraw/zinc/65/94/76/1078659476.db2.gz SVBLSSZTXYUTRR-AZUAARDMSA-N 1 2 412.538 2.461 20 0 HEADLO Cn1ccnc1[C@@H](O)[C@H]1CCCN(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000769980882 1078673298 /nfs/dbraw/zinc/67/32/98/1078673298.db2.gz VSVBXDQZUYALCA-LPHOPBHVSA-N 1 2 412.469 2.400 20 0 HEADLO CN(CC[NH+]1CCOCC1)C(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC000745879416 1078682475 /nfs/dbraw/zinc/68/24/75/1078682475.db2.gz BCXOFFLBGGOKJA-SFHVURJKSA-N 1 2 406.527 2.226 20 0 HEADLO CN(C)C(=O)c1ccc(NC(=O)C[N@H+](C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)cc1 ZINC000745991819 1078722333 /nfs/dbraw/zinc/72/23/33/1078722333.db2.gz UNIIQKZAVJEIPM-QGZVFWFLSA-N 1 2 404.511 2.268 20 0 HEADLO CN(C)C(=O)c1ccc(NC(=O)C[N@@H+](C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)cc1 ZINC000745991819 1078722337 /nfs/dbraw/zinc/72/23/37/1078722337.db2.gz UNIIQKZAVJEIPM-QGZVFWFLSA-N 1 2 404.511 2.268 20 0 HEADLO C[N@H+](CC(=O)Nc1cccc(C(=O)NC2CC2)c1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000745991320 1078723075 /nfs/dbraw/zinc/72/30/75/1078723075.db2.gz ODWOYFLDSQNKAU-SFHVURJKSA-N 1 2 416.522 2.459 20 0 HEADLO C[N@@H+](CC(=O)Nc1cccc(C(=O)NC2CC2)c1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000745991320 1078723080 /nfs/dbraw/zinc/72/30/80/1078723080.db2.gz ODWOYFLDSQNKAU-SFHVURJKSA-N 1 2 416.522 2.459 20 0 HEADLO CCOC(=O)C1C(C[NH2+]C(C)(C)CC(=O)OC)=NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000770191046 1078753604 /nfs/dbraw/zinc/75/36/04/1078753604.db2.gz KWTALCQFDHSQSM-KRWDZBQOSA-N 1 2 423.897 2.442 20 0 HEADLO CN(C)C(=O)NCC[N@H+](C)CC(=O)Nc1ccccc1C(=O)Nc1ccc(F)cc1 ZINC000770263912 1078796887 /nfs/dbraw/zinc/79/68/87/1078796887.db2.gz BSYSQFRJXSKBST-UHFFFAOYSA-N 1 2 415.469 2.220 20 0 HEADLO CN(C)C(=O)NCC[N@@H+](C)CC(=O)Nc1ccccc1C(=O)Nc1ccc(F)cc1 ZINC000770263912 1078796896 /nfs/dbraw/zinc/79/68/96/1078796896.db2.gz BSYSQFRJXSKBST-UHFFFAOYSA-N 1 2 415.469 2.220 20 0 HEADLO C[C@H]1C[N@H+](CCNC(=O)N2CCC(CCN(C)C(=O)OC(C)(C)C)CC2)CCO1 ZINC000770268195 1078800022 /nfs/dbraw/zinc/80/00/22/1078800022.db2.gz FIOWKQCSTBJLKG-KRWDZBQOSA-N 1 2 412.575 2.386 20 0 HEADLO C[C@H]1C[N@@H+](CCNC(=O)N2CCC(CCN(C)C(=O)OC(C)(C)C)CC2)CCO1 ZINC000770268195 1078800023 /nfs/dbraw/zinc/80/00/23/1078800023.db2.gz FIOWKQCSTBJLKG-KRWDZBQOSA-N 1 2 412.575 2.386 20 0 HEADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N1CCC(OC[C@@H]2CCCO2)CC1 ZINC000770276219 1078803851 /nfs/dbraw/zinc/80/38/51/1078803851.db2.gz QQDPRFRGEVKSHC-SFHVURJKSA-N 1 2 404.511 2.419 20 0 HEADLO C[C@H](NC(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1)c1cccc(NS(C)(=O)=O)c1 ZINC000770278387 1078805205 /nfs/dbraw/zinc/80/52/05/1078805205.db2.gz DQKZFGOWLJSCDT-GOEBONIOSA-N 1 2 405.524 2.442 20 0 HEADLO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1CN1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000770328193 1078829860 /nfs/dbraw/zinc/82/98/60/1078829860.db2.gz VZVNJUQHVYXPLV-YSVLISHTSA-N 1 2 411.959 2.484 20 0 HEADLO Cc1ccc([C@@H](O)CNC(=O)NCc2cccc(OCC[NH+]3CCOCC3)c2)cc1 ZINC000770348392 1078838175 /nfs/dbraw/zinc/83/81/75/1078838175.db2.gz YDDNPEHQXICBCJ-QFIPXVFZSA-N 1 2 413.518 2.239 20 0 HEADLO O=C(c1cccc2[nH+]ccn21)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000770393127 1078841204 /nfs/dbraw/zinc/84/12/04/1078841204.db2.gz AVZFVPAIEFYLJA-UHFFFAOYSA-N 1 2 404.879 2.134 20 0 HEADLO O=C(CCc1cccc2c1OCO2)OCC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000770445178 1078856607 /nfs/dbraw/zinc/85/66/07/1078856607.db2.gz BVWWMKKFQMEZGN-UHFFFAOYSA-N 1 2 416.499 2.297 20 0 HEADLO CC(C)[C@H](C(=O)N1CCC([N@H+](C)CC(F)F)CC1)N1C(=O)c2ccccc2C1=O ZINC000746320485 1078857624 /nfs/dbraw/zinc/85/76/24/1078857624.db2.gz QOMFUJCWQCDFIZ-GOSISDBHSA-N 1 2 407.461 2.495 20 0 HEADLO CC(C)[C@H](C(=O)N1CCC([N@@H+](C)CC(F)F)CC1)N1C(=O)c2ccccc2C1=O ZINC000746320485 1078857625 /nfs/dbraw/zinc/85/76/25/1078857625.db2.gz QOMFUJCWQCDFIZ-GOSISDBHSA-N 1 2 407.461 2.495 20 0 HEADLO CC(C)OCC[NH+]1CCN(C(=O)c2cn(-c3ccccc3Br)nn2)CC1 ZINC000746350880 1078869715 /nfs/dbraw/zinc/86/97/15/1078869715.db2.gz CLAVELDMDZKJIJ-UHFFFAOYSA-N 1 2 422.327 2.213 20 0 HEADLO COC(=O)CN(CC[NH+]1CCOCC1)Cn1ccn(-c2cc(C)cc(C)c2)c1=S ZINC000746380260 1078885981 /nfs/dbraw/zinc/88/59/81/1078885981.db2.gz OMGAKSZIUHWCBH-UHFFFAOYSA-N 1 2 418.563 2.390 20 0 HEADLO O=C(Nc1ccc(N2CCCCCC2)cc1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000746385749 1078889632 /nfs/dbraw/zinc/88/96/32/1078889632.db2.gz IKQFRWPZTGGXRB-LJQANCHMSA-N 1 2 414.550 2.186 20 0 HEADLO COCCOC(=O)Nc1cccc(NC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)c1 ZINC000770604958 1078912628 /nfs/dbraw/zinc/91/26/28/1078912628.db2.gz WZBQUEGTXPQEBJ-GOSISDBHSA-N 1 2 406.483 2.210 20 0 HEADLO CN(C)c1ccc([NH+]2CCC(NC(=O)C(=O)Nc3ccnn3CC3CC3)CC2)cc1 ZINC000746421351 1078917820 /nfs/dbraw/zinc/91/78/20/1078917820.db2.gz HJFSRJWIQIVWHD-UHFFFAOYSA-N 1 2 410.522 2.083 20 0 HEADLO COC(=O)C[C@H]1CSCC[N@@H+]1CC(=O)Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000746464093 1079010335 /nfs/dbraw/zinc/01/03/35/1079010335.db2.gz RJRRIGFMBKWFSI-FCEWJHQRSA-N 1 2 421.563 2.219 20 0 HEADLO COC(=O)C[C@H]1CSCC[N@H+]1CC(=O)Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000746464093 1079010343 /nfs/dbraw/zinc/01/03/43/1079010343.db2.gz RJRRIGFMBKWFSI-FCEWJHQRSA-N 1 2 421.563 2.219 20 0 HEADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N1CCC[C@@H]1C[C@@H](O)c1cnn(C)c1 ZINC000766463946 1079014148 /nfs/dbraw/zinc/01/41/48/1079014148.db2.gz NIWBHASSJCOYOH-IEBWSBKVSA-N 1 2 414.510 2.080 20 0 HEADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N1CCC[C@@H]1C[C@H](O)c1cnn(C)c1 ZINC000766463949 1079014198 /nfs/dbraw/zinc/01/41/98/1079014198.db2.gz NIWBHASSJCOYOH-MJGOQNOKSA-N 1 2 414.510 2.080 20 0 HEADLO C[C@@H]1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)N(C)Cc2ccc(F)cc2)O1 ZINC001109738320 1079034844 /nfs/dbraw/zinc/03/48/44/1079034844.db2.gz LVKSMSSWRSSZLM-JIKAWYKTSA-N 1 2 403.498 2.073 20 0 HEADLO C[C@@H]1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)N(C)Cc2ccc(F)cc2)O1 ZINC001109738320 1079034859 /nfs/dbraw/zinc/03/48/59/1079034859.db2.gz LVKSMSSWRSSZLM-JIKAWYKTSA-N 1 2 403.498 2.073 20 0 HEADLO CCCNC(=O)CN(C)C(=O)C[N@@H+]1CCN(C(=O)OC(C)(C)C)CC12CCCCC2 ZINC000746480264 1079035054 /nfs/dbraw/zinc/03/50/54/1079035054.db2.gz KKEYDPKBRYHEEH-UHFFFAOYSA-N 1 2 424.586 2.227 20 0 HEADLO CCCNC(=O)CN(C)C(=O)C[N@H+]1CCN(C(=O)OC(C)(C)C)CC12CCCCC2 ZINC000746480264 1079035057 /nfs/dbraw/zinc/03/50/57/1079035057.db2.gz KKEYDPKBRYHEEH-UHFFFAOYSA-N 1 2 424.586 2.227 20 0 HEADLO COC(=O)c1ccc(C[N@H+](C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)c2ncccc12 ZINC001168925810 1079069185 /nfs/dbraw/zinc/06/91/85/1079069185.db2.gz UNVGVOALEAKBAS-SJORKVTESA-N 1 2 418.515 2.190 20 0 HEADLO COC(=O)c1ccc(C[N@@H+](C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)c2ncccc12 ZINC001168925810 1079069188 /nfs/dbraw/zinc/06/91/88/1079069188.db2.gz UNVGVOALEAKBAS-SJORKVTESA-N 1 2 418.515 2.190 20 0 HEADLO Cc1ccc(C(=O)OCc2cccc3[nH+]ccn32)cc1S(=O)(=O)N1CCOCC1 ZINC000770921802 1079081801 /nfs/dbraw/zinc/08/18/01/1079081801.db2.gz VDZUODDGAYRAQR-UHFFFAOYSA-N 1 2 415.471 2.021 20 0 HEADLO CCOC(=O)[C@]1(CNC(=O)c2ccc(NCCn3cc[nH+]c3)cc2)CCCOC1 ZINC001169001354 1079096160 /nfs/dbraw/zinc/09/61/60/1079096160.db2.gz AJTJPLQGBUCZQV-NRFANRHFSA-N 1 2 400.479 2.085 20 0 HEADLO NS(=O)(=O)c1ccc(Oc2cc(NCCc3cn4ccccc4[nH+]3)ncn2)cc1 ZINC001169002196 1079096536 /nfs/dbraw/zinc/09/65/36/1079096536.db2.gz KFMNXMNGDATZJY-UHFFFAOYSA-N 1 2 410.459 2.219 20 0 HEADLO NS(=O)(=O)c1sc(Cl)cc1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccccc1 ZINC001169040217 1079107558 /nfs/dbraw/zinc/10/75/58/1079107558.db2.gz ABIFIYYQPJYKLU-STQMWFEESA-N 1 2 411.936 2.148 20 0 HEADLO NS(=O)(=O)c1sc(Cl)cc1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccccc1 ZINC001169040217 1079107560 /nfs/dbraw/zinc/10/75/60/1079107560.db2.gz ABIFIYYQPJYKLU-STQMWFEESA-N 1 2 411.936 2.148 20 0 HEADLO O=S(=O)(CCC[NH+]1CCOCC1)NC[C@H](O)c1ccc(-c2ccccc2)cc1 ZINC000766566817 1079114132 /nfs/dbraw/zinc/11/41/32/1079114132.db2.gz IUMKXCLDBJHANS-NRFANRHFSA-N 1 2 404.532 2.029 20 0 HEADLO CS(=O)(=O)NCCc1ccc(C(=O)NCCn2c[nH+]cc2-c2ccccc2)s1 ZINC001169158295 1079168497 /nfs/dbraw/zinc/16/84/97/1079168497.db2.gz GGPLCVGOFLKNON-UHFFFAOYSA-N 1 2 418.544 2.133 20 0 HEADLO C[N@H+](CC(F)F)C1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cn2)CC1 ZINC000771162848 1079177899 /nfs/dbraw/zinc/17/78/99/1079177899.db2.gz JBZBCGBYOWSOJF-UHFFFAOYSA-N 1 2 402.511 2.422 20 0 HEADLO C[N@@H+](CC(F)F)C1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cn2)CC1 ZINC000771162848 1079177905 /nfs/dbraw/zinc/17/79/05/1079177905.db2.gz JBZBCGBYOWSOJF-UHFFFAOYSA-N 1 2 402.511 2.422 20 0 HEADLO COC(=O)CN(CC[NH+]1CCOCC1)Cn1ccn(-c2ccc(C)cc2C)c1=S ZINC000746379533 1079182987 /nfs/dbraw/zinc/18/29/87/1079182987.db2.gz LUODESNYGGRPLB-UHFFFAOYSA-N 1 2 418.563 2.390 20 0 HEADLO COC(=O)C[C@]1(NC(=O)Nc2ccccc2OCCn2cc[nH+]c2)CCCOC1 ZINC000771141871 1079191079 /nfs/dbraw/zinc/19/10/79/1079191079.db2.gz AUTZVGWYTOYYNG-HXUWFJFHSA-N 1 2 402.451 2.196 20 0 HEADLO C[C@@H](CN1CCOCC1)OC(=O)c1ccccc1S[C@@H](C)C[NH+]1CCOCC1 ZINC000771185586 1079213117 /nfs/dbraw/zinc/21/31/17/1079213117.db2.gz KYFBAEOMSADFSS-ROUUACIJSA-N 1 2 408.564 2.377 20 0 HEADLO C[S@@](=N)(=O)N1CCN(C(=O)NCCN(Cc2ccccc2)c2cccc[nH+]2)CC1 ZINC001687511564 1079273291 /nfs/dbraw/zinc/27/32/91/1079273291.db2.gz YHEVQANYDFCBDJ-LJAQVGFWSA-N 1 2 416.551 2.007 20 0 HEADLO CCOC(=O)[C@H]1CC[C@@H]([NH+]2CCN(c3ccc(C(=O)OC)cc3Cl)CC2)CO1 ZINC001169421318 1079279819 /nfs/dbraw/zinc/27/98/19/1079279819.db2.gz XUQXNRABWCHJKS-CRAIPNDOSA-N 1 2 410.898 2.359 20 0 HEADLO CS(=O)(=O)c1ccnc(N[C@H]2C[C@@H](C(=O)OCc3ccccc3)CCC[NH2+]2)c1 ZINC001169513104 1079318740 /nfs/dbraw/zinc/31/87/40/1079318740.db2.gz NYZBAZDPJROMFK-WMZOPIPTSA-N 1 2 403.504 2.356 20 0 HEADLO Cc1cc(N[C@H]2C[C@H](C(=O)OCc3ccccc3)CCC[NH2+]2)nc(S(C)(=O)=O)n1 ZINC001169520582 1079321553 /nfs/dbraw/zinc/32/15/53/1079321553.db2.gz NHEJBKQPGBWQIP-SJORKVTESA-N 1 2 418.519 2.060 20 0 HEADLO C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1ccc2c(c1)[nH]c(=S)n(Cc1ccco1)c2=O ZINC000771397573 1079322004 /nfs/dbraw/zinc/32/20/04/1079322004.db2.gz RMTAXVNHLLJXHE-UONOGXRCSA-N 1 2 412.515 2.491 20 0 HEADLO C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)c1ccc2c(c1)[nH]c(=S)n(Cc1ccco1)c2=O ZINC000771397573 1079322009 /nfs/dbraw/zinc/32/20/09/1079322009.db2.gz RMTAXVNHLLJXHE-UONOGXRCSA-N 1 2 412.515 2.491 20 0 HEADLO Cc1cn(-c2ccccc2)nc1C(=O)N1CC[N@@H+](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000771399229 1079323239 /nfs/dbraw/zinc/32/32/39/1079323239.db2.gz TUEKKDNTXMHYGP-GOSISDBHSA-N 1 2 413.522 2.462 20 0 HEADLO Cc1cn(-c2ccccc2)nc1C(=O)N1CC[N@H+](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000771399229 1079323248 /nfs/dbraw/zinc/32/32/48/1079323248.db2.gz TUEKKDNTXMHYGP-GOSISDBHSA-N 1 2 413.522 2.462 20 0 HEADLO O=C(N[C@@H]1CCc2c[nH+]cn2C1)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 ZINC000804332406 1079349759 /nfs/dbraw/zinc/34/97/59/1079349759.db2.gz KAOGDLSHGVTONY-OAHLLOKOSA-N 1 2 422.938 2.456 20 0 HEADLO CN(C)S(=O)(=O)c1ccc(C[NH+]2CCC3(C[C@@H]3C(=O)N3CCCCC3)CC2)o1 ZINC000771467085 1079362730 /nfs/dbraw/zinc/36/27/30/1079362730.db2.gz KEIMHTUVUOOQPE-QGZVFWFLSA-N 1 2 409.552 2.145 20 0 HEADLO O=C(N[C@@H]1CCc2c[nH+]cn2C1)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 ZINC000804335019 1079370584 /nfs/dbraw/zinc/37/05/84/1079370584.db2.gz PHAWUDQCGAGFHY-YFPIXMDGSA-N 1 2 414.531 2.027 20 0 HEADLO C[NH+]1CCN([C@@H](C(=O)Nc2nc(Br)ccc2O)c2ccccc2)CC1 ZINC000771573609 1079376539 /nfs/dbraw/zinc/37/65/39/1079376539.db2.gz BKCATCOXWVHNBD-MRXNPFEDSA-N 1 2 405.296 2.477 20 0 HEADLO Cc1[nH]c(-c2cccc(NC(=O)CNC(=O)CNC(=O)OC(C)(C)C)c2)[nH+]c1C ZINC000766815739 1079408842 /nfs/dbraw/zinc/40/88/42/1079408842.db2.gz FUUXVMAKGIQMSF-UHFFFAOYSA-N 1 2 401.467 2.273 20 0 HEADLO CC[C@@]1(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CCCN1C(=O)OC(C)(C)C ZINC000771653506 1079425232 /nfs/dbraw/zinc/42/52/32/1079425232.db2.gz OBJAMHVIUAEMJO-NRFANRHFSA-N 1 2 421.542 2.334 20 0 HEADLO Cn1ccnc1C[NH+]1CCC(C(=O)N(C[C@@H](O)c2ccc(F)cc2)C2CC2)CC1 ZINC000771641542 1079448150 /nfs/dbraw/zinc/44/81/50/1079448150.db2.gz RLFMIUPPCHBXSX-HXUWFJFHSA-N 1 2 400.498 2.496 20 0 HEADLO CCCN(CC(F)(F)F)C(=O)C[NH+]1CCC(CO)(NC(=O)OC(C)(C)C)CC1 ZINC001169933165 1079479587 /nfs/dbraw/zinc/47/95/87/1079479587.db2.gz JHIZEFKAZAQVKG-UHFFFAOYSA-N 1 2 411.465 2.139 20 0 HEADLO C[C@H](C[C@@H](O)c1ccc(F)cc1)NC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000766885486 1079484517 /nfs/dbraw/zinc/48/45/17/1079484517.db2.gz ORUYTCMOMHMIDN-XFQXTVEOSA-N 1 2 411.543 2.145 20 0 HEADLO C[C@H](C[C@H](O)c1ccc(F)cc1)NC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000766885483 1079484590 /nfs/dbraw/zinc/48/45/90/1079484590.db2.gz ORUYTCMOMHMIDN-MOXGXCLJSA-N 1 2 411.543 2.145 20 0 HEADLO C[C@H](C[C@H](O)c1ccc(F)cc1)NC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000766885479 1079484620 /nfs/dbraw/zinc/48/46/20/1079484620.db2.gz ORUYTCMOMHMIDN-BPAFIMBUSA-N 1 2 411.543 2.145 20 0 HEADLO C[C@H]1COCC[N@@H+]1CCNC(=O)[C@H](NC(=O)OCc1ccccc1)c1ccccc1 ZINC000737836380 1075935368 /nfs/dbraw/zinc/93/53/68/1075935368.db2.gz FHVNULVFVUHDKB-GHTZIAJQSA-N 1 2 411.502 2.491 20 0 HEADLO C[C@H]1COCC[N@H+]1CCNC(=O)[C@H](NC(=O)OCc1ccccc1)c1ccccc1 ZINC000737836380 1075935375 /nfs/dbraw/zinc/93/53/75/1075935375.db2.gz FHVNULVFVUHDKB-GHTZIAJQSA-N 1 2 411.502 2.491 20 0 HEADLO COCCCn1c(=O)c2ccc(C(=O)N3CC[N@H+](C)C[C@H]3C(C)C)cc2[nH]c1=S ZINC000737996450 1075949351 /nfs/dbraw/zinc/94/93/51/1075949351.db2.gz ZODXQLZXQQXCQO-SFHVURJKSA-N 1 2 418.563 2.134 20 0 HEADLO COCCCn1c(=O)c2ccc(C(=O)N3CC[N@@H+](C)C[C@H]3C(C)C)cc2[nH]c1=S ZINC000737996450 1075949358 /nfs/dbraw/zinc/94/93/58/1075949358.db2.gz ZODXQLZXQQXCQO-SFHVURJKSA-N 1 2 418.563 2.134 20 0 HEADLO COC(=O)[C@H]1CCC[N@H+](CN2C(=O)N[C@@](C)(c3ccc(Br)cc3)C2=O)C1 ZINC000738061519 1075962403 /nfs/dbraw/zinc/96/24/03/1075962403.db2.gz MEDCCKSDKYGKJB-SGTLLEGYSA-N 1 2 424.295 2.059 20 0 HEADLO COC(=O)[C@H]1CCC[N@@H+](CN2C(=O)N[C@@](C)(c3ccc(Br)cc3)C2=O)C1 ZINC000738061519 1075962409 /nfs/dbraw/zinc/96/24/09/1075962409.db2.gz MEDCCKSDKYGKJB-SGTLLEGYSA-N 1 2 424.295 2.059 20 0 HEADLO CCOC(=O)c1cn(C[N@@H+]2CCCN(c3ccc(C(=O)OCC)cn3)CC2)nc1C ZINC000738108058 1075964394 /nfs/dbraw/zinc/96/43/94/1075964394.db2.gz AVTUVBGFMICERT-UHFFFAOYSA-N 1 2 415.494 2.110 20 0 HEADLO CCOC(=O)c1cn(C[N@H+]2CCCN(c3ccc(C(=O)OCC)cn3)CC2)nc1C ZINC000738108058 1075964404 /nfs/dbraw/zinc/96/44/04/1075964404.db2.gz AVTUVBGFMICERT-UHFFFAOYSA-N 1 2 415.494 2.110 20 0 HEADLO O=C1N[C@@](c2ccccc2)(C(F)(F)F)C(=O)N1CN1CCC[C@H](n2cc[nH+]c2)C1 ZINC000738149465 1075969444 /nfs/dbraw/zinc/96/94/44/1075969444.db2.gz RVGCRISQVUFEGO-MAUKXSAKSA-N 1 2 407.396 2.487 20 0 HEADLO C[C@H]1Cc2ccccc2N1C(=O)C[N@H+](C)CCN1CCN(C(=O)OC(C)(C)C)CC1 ZINC000738330945 1075982902 /nfs/dbraw/zinc/98/29/02/1075982902.db2.gz XHVKKHXAJTYGFY-SFHVURJKSA-N 1 2 416.566 2.449 20 0 HEADLO C[C@H]1Cc2ccccc2N1C(=O)C[N@@H+](C)CCN1CCN(C(=O)OC(C)(C)C)CC1 ZINC000738330945 1075982906 /nfs/dbraw/zinc/98/29/06/1075982906.db2.gz XHVKKHXAJTYGFY-SFHVURJKSA-N 1 2 416.566 2.449 20 0 HEADLO COc1ccc(CC(N)=[NH+]OCCOc2cccc(S(C)(=O)=O)c2)cc1OC ZINC000738289423 1075985066 /nfs/dbraw/zinc/98/50/66/1075985066.db2.gz PGILTJISWJGTJZ-UHFFFAOYSA-N 1 2 408.476 2.227 20 0 HEADLO COc1cccc([C@@H]2CN(C(=O)c3cc(S(=O)(=O)N(C)C)ccc3C)CC[NH2+]2)c1 ZINC001169963327 1079497512 /nfs/dbraw/zinc/49/75/12/1079497512.db2.gz GRVDHSPYNGRRFG-FQEVSTJZSA-N 1 2 417.531 2.041 20 0 HEADLO O=S(=O)(NC1CC1)c1ccc(S(=O)(=O)Oc2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000738390996 1075993300 /nfs/dbraw/zinc/99/33/00/1075993300.db2.gz CBANGAPIXKRRQP-UHFFFAOYSA-N 1 2 419.484 2.081 20 0 HEADLO COC[C@H]1CC[N@H+](Cn2nc(N3CCOCC3)n(-c3ccc(C)cc3)c2=S)C1 ZINC000739872299 1076084001 /nfs/dbraw/zinc/08/40/01/1076084001.db2.gz FHWBCPDILVBFAH-KRWDZBQOSA-N 1 2 403.552 2.474 20 0 HEADLO COC[C@H]1CC[N@@H+](Cn2nc(N3CCOCC3)n(-c3ccc(C)cc3)c2=S)C1 ZINC000739872299 1076084008 /nfs/dbraw/zinc/08/40/08/1076084008.db2.gz FHWBCPDILVBFAH-KRWDZBQOSA-N 1 2 403.552 2.474 20 0 HEADLO COC(=O)c1ccc(=O)n(C[N@@H+]2CCC[C@H]2Cc2ccc(Br)cc2)n1 ZINC000739840826 1076087930 /nfs/dbraw/zinc/08/79/30/1076087930.db2.gz MJLFFZMTIHHBNN-HNNXBMFYSA-N 1 2 406.280 2.457 20 0 HEADLO COC(=O)c1ccc(=O)n(C[N@H+]2CCC[C@H]2Cc2ccc(Br)cc2)n1 ZINC000739840826 1076087937 /nfs/dbraw/zinc/08/79/37/1076087937.db2.gz MJLFFZMTIHHBNN-HNNXBMFYSA-N 1 2 406.280 2.457 20 0 HEADLO O=C(NCCc1cn2c([nH+]1)CCCC2)NC[C@H](O)c1cc(Cl)c2c(c1)OCCO2 ZINC000740030412 1076097444 /nfs/dbraw/zinc/09/74/44/1076097444.db2.gz NHCBTXAGVYWMTF-INIZCTEOSA-N 1 2 420.897 2.219 20 0 HEADLO O=C(NCCCNc1cccc[nH+]1)NC[C@H](O)c1cc(Cl)c2c(c1)OCCO2 ZINC000740058476 1076099463 /nfs/dbraw/zinc/09/94/63/1076099463.db2.gz WGBQWZOHPVFICX-HNNXBMFYSA-N 1 2 406.870 2.341 20 0 HEADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)NC[C@](C)(O)c2cccs2)CC1 ZINC000740435022 1076168042 /nfs/dbraw/zinc/16/80/42/1076168042.db2.gz QYAUOLOUSZHUER-FQEVSTJZSA-N 1 2 402.520 2.165 20 0 HEADLO COc1ccc(S(=O)(=O)CCC(=O)N[C@@H](Cn2cc[nH+]c2)C(C)(C)C)cc1OC ZINC000740819526 1076245629 /nfs/dbraw/zinc/24/56/29/1076245629.db2.gz UOONTDWANBFKGE-SFHVURJKSA-N 1 2 423.535 2.295 20 0 HEADLO CCOc1ccccc1N1C(=O)C(=O)N(C[N@@H+](C)[C@H]2C[C@H](OCC)C2(C)C)C1=O ZINC000740863177 1076274016 /nfs/dbraw/zinc/27/40/16/1076274016.db2.gz MEVDFCRKSQGWSU-IRXDYDNUSA-N 1 2 403.479 2.473 20 0 HEADLO CCOc1ccccc1N1C(=O)C(=O)N(C[N@H+](C)[C@H]2C[C@H](OCC)C2(C)C)C1=O ZINC000740863177 1076274032 /nfs/dbraw/zinc/27/40/32/1076274032.db2.gz MEVDFCRKSQGWSU-IRXDYDNUSA-N 1 2 403.479 2.473 20 0 HEADLO Cc1cc(=O)oc2cc(OCC[NH+]3CCN(CC(=O)N4CCCCC4)CC3)ccc12 ZINC000740873616 1076276717 /nfs/dbraw/zinc/27/67/17/1076276717.db2.gz PKZSDJFNJOKOFB-UHFFFAOYSA-N 1 2 413.518 2.110 20 0 HEADLO CC(C)[C@H](C(=O)OCC(=O)NCC1([NH+]2CCOCC2)CCCCC1)N1CCCCC1 ZINC000741011501 1076328153 /nfs/dbraw/zinc/32/81/53/1076328153.db2.gz DCSIGGRVOVNEJR-OAQYLSRUSA-N 1 2 423.598 2.191 20 0 HEADLO Cc1ccc([C@@H](O)CNC(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)o1 ZINC000741267377 1076437636 /nfs/dbraw/zinc/43/76/36/1076437636.db2.gz AMCVEEHYKCQOCP-SFHVURJKSA-N 1 2 400.479 2.024 20 0 HEADLO O=C(C[C@H]1C[N@H+](Cc2ccccc2)CCO1)OCc1nnnn1Cc1ccccc1 ZINC000741358694 1076484320 /nfs/dbraw/zinc/48/43/20/1076484320.db2.gz YCSPMFHNEVUABA-FQEVSTJZSA-N 1 2 407.474 2.056 20 0 HEADLO O=C(C[C@H]1C[N@@H+](Cc2ccccc2)CCO1)OCc1nnnn1Cc1ccccc1 ZINC000741358694 1076484323 /nfs/dbraw/zinc/48/43/23/1076484323.db2.gz YCSPMFHNEVUABA-FQEVSTJZSA-N 1 2 407.474 2.056 20 0 HEADLO O=C(COC(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1)Nc1nnc([C@H]2CCCO2)o1 ZINC000741348883 1076490715 /nfs/dbraw/zinc/49/07/15/1076490715.db2.gz AYZAFNCQFGWXOS-IAGOWNOFSA-N 1 2 414.462 2.458 20 0 HEADLO O=C(COC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1)Nc1nnc([C@H]2CCCO2)o1 ZINC000741348883 1076490716 /nfs/dbraw/zinc/49/07/16/1076490716.db2.gz AYZAFNCQFGWXOS-IAGOWNOFSA-N 1 2 414.462 2.458 20 0 HEADLO CNC(=O)[C@@H](NC(=O)COC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1)c1ccccc1 ZINC000741350996 1076491605 /nfs/dbraw/zinc/49/16/05/1076491605.db2.gz JRGBUBIIFHPCOM-UNMCSNQZSA-N 1 2 423.513 2.188 20 0 HEADLO CNC(=O)[C@@H](NC(=O)COC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1)c1ccccc1 ZINC000741350996 1076491610 /nfs/dbraw/zinc/49/16/10/1076491610.db2.gz JRGBUBIIFHPCOM-UNMCSNQZSA-N 1 2 423.513 2.188 20 0 HEADLO COc1cccc(CNC(=O)COC(=O)C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c1 ZINC000741351214 1076492070 /nfs/dbraw/zinc/49/20/70/1076492070.db2.gz FSMUFLRREJRCEN-OAQYLSRUSA-N 1 2 412.486 2.146 20 0 HEADLO COc1cccc(CNC(=O)COC(=O)C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c1 ZINC000741351214 1076492073 /nfs/dbraw/zinc/49/20/73/1076492073.db2.gz FSMUFLRREJRCEN-OAQYLSRUSA-N 1 2 412.486 2.146 20 0 HEADLO C[C@@H](NC(=O)COC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1)C(=O)N1CCCCC1 ZINC000741353026 1076492556 /nfs/dbraw/zinc/49/25/56/1076492556.db2.gz OXFNFPQVTNEOMQ-QUCCMNQESA-N 1 2 415.534 2.102 20 0 HEADLO C[C@@H](NC(=O)COC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1)C(=O)N1CCCCC1 ZINC000741353026 1076492560 /nfs/dbraw/zinc/49/25/60/1076492560.db2.gz OXFNFPQVTNEOMQ-QUCCMNQESA-N 1 2 415.534 2.102 20 0 HEADLO Cc1ccccc1CCNC(=O)COC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000741355217 1076493590 /nfs/dbraw/zinc/49/35/90/1076493590.db2.gz ORHLFEBIHZYXPO-JOCHJYFZSA-N 1 2 410.514 2.488 20 0 HEADLO Cc1ccccc1CCNC(=O)COC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000741355217 1076493598 /nfs/dbraw/zinc/49/35/98/1076493598.db2.gz ORHLFEBIHZYXPO-JOCHJYFZSA-N 1 2 410.514 2.488 20 0 HEADLO C[C@@H](OC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000741387818 1076495610 /nfs/dbraw/zinc/49/56/10/1076495610.db2.gz QEQFMTLXFZTNJO-QRWLVFNGSA-N 1 2 412.442 2.187 20 0 HEADLO C[C@@H](OC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000741387818 1076495612 /nfs/dbraw/zinc/49/56/12/1076495612.db2.gz QEQFMTLXFZTNJO-QRWLVFNGSA-N 1 2 412.442 2.187 20 0 HEADLO COc1ccccc1CN(C)C(=O)COC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000741388222 1076495659 /nfs/dbraw/zinc/49/56/59/1076495659.db2.gz SEVZXLRRMSFKHU-OAQYLSRUSA-N 1 2 412.486 2.098 20 0 HEADLO COc1ccccc1CN(C)C(=O)COC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000741388222 1076495661 /nfs/dbraw/zinc/49/56/61/1076495661.db2.gz SEVZXLRRMSFKHU-OAQYLSRUSA-N 1 2 412.486 2.098 20 0 HEADLO COc1ccccc1[C@H](C)NC(=O)COC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000741385014 1076508414 /nfs/dbraw/zinc/50/84/14/1076508414.db2.gz YVFAYODJTJSDSV-UWJYYQICSA-N 1 2 412.486 2.317 20 0 HEADLO COc1ccccc1[C@H](C)NC(=O)COC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000741385014 1076508417 /nfs/dbraw/zinc/50/84/17/1076508417.db2.gz YVFAYODJTJSDSV-UWJYYQICSA-N 1 2 412.486 2.317 20 0 HEADLO Cc1cc(C(=O)N[C@H](C)C[NH+]2CCOCC2)cc(C)c1OCC(=O)N1CCCCC1 ZINC000741672526 1076582586 /nfs/dbraw/zinc/58/25/86/1076582586.db2.gz IODPNXOUDQDPTD-LJQANCHMSA-N 1 2 417.550 2.145 20 0 HEADLO Cc1cc(C(=O)NCC[N@H+]2CCOC[C@@H]2C)cc(C)c1OCC(=O)N1CCCCC1 ZINC000741688101 1076586579 /nfs/dbraw/zinc/58/65/79/1076586579.db2.gz XIUWWJGAPHPVCG-IBGZPJMESA-N 1 2 417.550 2.145 20 0 HEADLO Cc1cc(C(=O)NCC[N@@H+]2CCOC[C@@H]2C)cc(C)c1OCC(=O)N1CCCCC1 ZINC000741688101 1076586587 /nfs/dbraw/zinc/58/65/87/1076586587.db2.gz XIUWWJGAPHPVCG-IBGZPJMESA-N 1 2 417.550 2.145 20 0 HEADLO COC(=O)Nc1ccc(CNC(=O)CN2CC[NH+]([C@H](C)c3cccnc3)CC2)cc1 ZINC000741788870 1076628917 /nfs/dbraw/zinc/62/89/17/1076628917.db2.gz JBAJVFWSDCHRBW-QGZVFWFLSA-N 1 2 411.506 2.255 20 0 HEADLO C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000741803553 1076642165 /nfs/dbraw/zinc/64/21/65/1076642165.db2.gz FIDRDPFJJKUYGB-ZWKOTPCHSA-N 1 2 417.554 2.060 20 0 HEADLO CCCCCC[C@H](C)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000741901297 1076664543 /nfs/dbraw/zinc/66/45/43/1076664543.db2.gz NXEUTFZTJKLGJB-SFHVURJKSA-N 1 2 410.584 2.256 20 0 HEADLO CN(C)c1ccc([NH+]2CCC(NC(=O)[C@@H]3CS[C@@]4(C)CCC(=O)N34)CC2)cc1 ZINC000741982293 1076702893 /nfs/dbraw/zinc/70/28/93/1076702893.db2.gz OAWGXUPHWKQQHJ-RXVVDRJESA-N 1 2 402.564 2.292 20 0 HEADLO CN(C)c1ccc([NH+]2CCC(NC(=O)[C@H]3CS[C@]4(C)CCC(=O)N34)CC2)cc1 ZINC000741982294 1076702906 /nfs/dbraw/zinc/70/29/06/1076702906.db2.gz OAWGXUPHWKQQHJ-WIYYLYMNSA-N 1 2 402.564 2.292 20 0 HEADLO CN(C)c1ccc([NH+]2CCC(NC(=O)CCCS(=O)(=O)N3CCCC3)CC2)cc1 ZINC000741984011 1076704026 /nfs/dbraw/zinc/70/40/26/1076704026.db2.gz YFGXJFRJRWRXHL-UHFFFAOYSA-N 1 2 422.595 2.043 20 0 HEADLO CCC1(O)CC[NH+](CN2C(=O)N[C@@](C)(c3ccc(Br)cc3)C2=O)CC1 ZINC000742171167 1076763338 /nfs/dbraw/zinc/76/33/38/1076763338.db2.gz FUXRPMHJLRROSN-KRWDZBQOSA-N 1 2 410.312 2.411 20 0 HEADLO C[N@H+](CC(F)F)C1CCN(C(=O)c2sccc2S(=O)(=O)N2CCCC2)CC1 ZINC000742238183 1076803905 /nfs/dbraw/zinc/80/39/05/1076803905.db2.gz WJUOLIJROFCXMU-UHFFFAOYSA-N 1 2 421.535 2.334 20 0 HEADLO C[N@@H+](CC(F)F)C1CCN(C(=O)c2sccc2S(=O)(=O)N2CCCC2)CC1 ZINC000742238183 1076803909 /nfs/dbraw/zinc/80/39/09/1076803909.db2.gz WJUOLIJROFCXMU-UHFFFAOYSA-N 1 2 421.535 2.334 20 0 HEADLO Cc1ccc(S(=O)(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)cc1C(N)=O ZINC000742317476 1076828773 /nfs/dbraw/zinc/82/87/73/1076828773.db2.gz IQMWJHJDKLGTJE-UHFFFAOYSA-N 1 2 416.547 2.107 20 0 HEADLO COc1ccc(CC(N)=[NH+]OCC(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000742354413 1076829540 /nfs/dbraw/zinc/82/95/40/1076829540.db2.gz MFFOWPAXCXIHFX-LJQANCHMSA-N 1 2 401.438 2.475 20 0 HEADLO N=C1NC(=O)[C@@H](CC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)S1 ZINC000742464657 1076842017 /nfs/dbraw/zinc/84/20/17/1076842017.db2.gz MBNMSGJXSPJTNX-GOSISDBHSA-N 1 2 408.527 2.477 20 0 HEADLO N=C1NC(=O)C(CC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)S1 ZINC000742464657 1076842019 /nfs/dbraw/zinc/84/20/19/1076842019.db2.gz MBNMSGJXSPJTNX-GOSISDBHSA-N 1 2 408.527 2.477 20 0 HEADLO CCCCc1nnc(SCC(=O)N2CC[NH+](Cc3cccc(C)c3)CC2)n1N ZINC000742457091 1076843573 /nfs/dbraw/zinc/84/35/73/1076843573.db2.gz WYRBERKHCWDKPK-UHFFFAOYSA-N 1 2 402.568 2.079 20 0 HEADLO CC(C)N1C(=O)C(=O)N(C[NH+]2CCC([C@@H]3CCCN3C(=O)OC(C)(C)C)CC2)C1=O ZINC000742557439 1076851657 /nfs/dbraw/zinc/85/16/57/1076851657.db2.gz FEGPTUZIXSMIFA-INIZCTEOSA-N 1 2 422.526 2.255 20 0 HEADLO CC[C@]1(c2ccc(Cl)cc2)NC(=O)N(C[N@@H+]2CCC[C@H](CNC(C)=O)C2)C1=O ZINC000742557470 1076851816 /nfs/dbraw/zinc/85/18/16/1076851816.db2.gz GBCFHOLLSYILBS-FOIQADDNSA-N 1 2 406.914 2.303 20 0 HEADLO CC[C@]1(c2ccc(Cl)cc2)NC(=O)N(C[N@H+]2CCC[C@H](CNC(C)=O)C2)C1=O ZINC000742557470 1076851817 /nfs/dbraw/zinc/85/18/17/1076851817.db2.gz GBCFHOLLSYILBS-FOIQADDNSA-N 1 2 406.914 2.303 20 0 HEADLO CC(C)(C)OC(=O)N1CCC[C@H]1CC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000742576063 1076852808 /nfs/dbraw/zinc/85/28/08/1076852808.db2.gz XEWFFHSQCSLOCD-JXFKEZNVSA-N 1 2 413.584 2.100 20 0 HEADLO COc1c(C)c[nH+]c(CNC(=O)c2cn([C@@H]3CCS(=O)(=O)C3)nc2C(C)C)c1C ZINC000742600772 1076855167 /nfs/dbraw/zinc/85/51/67/1076855167.db2.gz VOUJYXZRPPYOPI-OAHLLOKOSA-N 1 2 420.535 2.317 20 0 HEADLO CC(C)(C)OC(=O)NCc1ccc(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)o1 ZINC000742634848 1076859814 /nfs/dbraw/zinc/85/98/14/1076859814.db2.gz XBWAEKKYPHEQBC-UHFFFAOYSA-N 1 2 419.482 2.085 20 0 HEADLO COC(=O)c1cc(S(=O)(=O)Nc2ccc(N3CC[NH+](C)CC3)c(Cl)c2)c[nH]1 ZINC000743048164 1076937650 /nfs/dbraw/zinc/93/76/50/1076937650.db2.gz YAAWGQIMZBQGPS-UHFFFAOYSA-N 1 2 412.899 2.007 20 0 HEADLO O=C(Nc1cccc(CN2CCOC2=O)c1)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000743099252 1076953162 /nfs/dbraw/zinc/95/31/62/1076953162.db2.gz RDZDPKKGZSWWIK-LJQANCHMSA-N 1 2 402.495 2.357 20 0 HEADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)Nc2ccccc2CC(F)(F)F)CC1 ZINC000743210405 1077001284 /nfs/dbraw/zinc/00/12/84/1077001284.db2.gz MCSPTNBJQNAAAB-UHFFFAOYSA-N 1 2 407.458 2.422 20 0 HEADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)Nc2ccc(F)c(Br)c2)CC1 ZINC000743229601 1077007396 /nfs/dbraw/zinc/00/73/96/1077007396.db2.gz NFEMEDHSKRIEOM-UHFFFAOYSA-N 1 2 422.320 2.219 20 0 HEADLO CNS(=O)(=O)c1ccccc1N1CC[NH+](C[C@H](O)c2cccc(Cl)c2)CC1 ZINC000743270243 1077021262 /nfs/dbraw/zinc/02/12/62/1077021262.db2.gz FSAOAUJINZVWKS-SFHVURJKSA-N 1 2 409.939 2.104 20 0 HEADLO C[C@@H]1C[N@H+](Cn2c3ccc(S(=O)(=O)N(C)C)cc3oc2=O)[C@@H]1c1ccccc1 ZINC000743394517 1077041506 /nfs/dbraw/zinc/04/15/06/1077041506.db2.gz MORSOTJFNWFSMU-KUHUBIRLSA-N 1 2 401.488 2.495 20 0 HEADLO C[C@@H]1C[N@@H+](Cn2c3ccc(S(=O)(=O)N(C)C)cc3oc2=O)[C@@H]1c1ccccc1 ZINC000743394517 1077041509 /nfs/dbraw/zinc/04/15/09/1077041509.db2.gz MORSOTJFNWFSMU-KUHUBIRLSA-N 1 2 401.488 2.495 20 0 HEADLO C[C@@H](CNC(=O)C[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C)[NH+]1CCN(C)CC1 ZINC000743442121 1077055043 /nfs/dbraw/zinc/05/50/43/1077055043.db2.gz VUSBHVLVJZYSOL-AZUAARDMSA-N 1 2 418.582 2.265 20 0 HEADLO CN(C)c1ccc([NH+]2CCC(NC(=O)N[C@@H]3CCCN(c4ncccn4)C3)CC2)cc1 ZINC000743555609 1077068351 /nfs/dbraw/zinc/06/83/51/1077068351.db2.gz CRGTXRJDAKUKER-LJQANCHMSA-N 1 2 423.565 2.480 20 0 HEADLO C[C@H]1CN(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CC[C@H]1c1ccccc1 ZINC000743601492 1077078843 /nfs/dbraw/zinc/07/88/43/1077078843.db2.gz DFKBGIRHFLPVEL-FXAWDEMLSA-N 1 2 407.580 2.331 20 0 HEADLO C[C@H]1CN(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CC[C@@H]1c1ccccc1 ZINC000743601493 1077078926 /nfs/dbraw/zinc/07/89/26/1077078926.db2.gz DFKBGIRHFLPVEL-PXNSSMCTSA-N 1 2 407.580 2.331 20 0 HEADLO CN(C)c1ccc([NH+]2CCC(NC(=O)NCCCOC[C@H]3CCOC3)CC2)cc1 ZINC000743629389 1077083074 /nfs/dbraw/zinc/08/30/74/1077083074.db2.gz LRWBTMCWRIWAOC-GOSISDBHSA-N 1 2 404.555 2.464 20 0 HEADLO O=C(CCN1C(=S)N=NC1c1cccs1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000743728270 1077097730 /nfs/dbraw/zinc/09/77/30/1077097730.db2.gz MZXOKGROVQRIMV-CQSZACIVSA-N 1 2 407.565 2.009 20 0 HEADLO C[C@@H]1[C@@H](C)[S@](=O)CC[N@@H+]1C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000743851541 1077142088 /nfs/dbraw/zinc/14/20/88/1077142088.db2.gz VQELMIDACHAPBF-FNYYFMSOSA-N 1 2 410.580 2.325 20 0 HEADLO C[C@@H]1[C@@H](C)[S@](=O)CC[N@H+]1C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000743851541 1077142092 /nfs/dbraw/zinc/14/20/92/1077142092.db2.gz VQELMIDACHAPBF-FNYYFMSOSA-N 1 2 410.580 2.325 20 0 HEADLO CCc1ccc(N2CC[NH+](CC(=O)N3CCC(C(=O)N(C)C(C)C)CC3)CC2)cc1 ZINC000743868127 1077154325 /nfs/dbraw/zinc/15/43/25/1077154325.db2.gz TZIGXVAFGLNVKC-UHFFFAOYSA-N 1 2 414.594 2.476 20 0 HEADLO Cc1ccc(N2CCOC2=O)cc1NC(=O)C(=O)N[C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000743886789 1077180713 /nfs/dbraw/zinc/18/07/13/1077180713.db2.gz BQOULYTVXMRSOL-QGZVFWFLSA-N 1 2 413.478 2.318 20 0 HEADLO COc1c(C)c[nH+]c(CNC(=O)C(=O)Nc2cccc(N3CCOC3=O)c2C)c1C ZINC000743900170 1077213436 /nfs/dbraw/zinc/21/34/36/1077213436.db2.gz DIGZWWISKYWNQH-UHFFFAOYSA-N 1 2 412.446 2.227 20 0 HEADLO CON(C)S(=O)(=O)c1cc(C(=O)NCC[NH+]2Cc3ccccc3C2)ccc1Cl ZINC000743921030 1077244790 /nfs/dbraw/zinc/24/47/90/1077244790.db2.gz GGJWSJZZTGATLR-UHFFFAOYSA-N 1 2 423.922 2.268 20 0 HEADLO Cc1ccc(N2CC[C@@H](NC(=O)C(=O)Nc3cccc(-n4cc[nH+]c4)c3)C2=O)cc1 ZINC000743930956 1077256711 /nfs/dbraw/zinc/25/67/11/1077256711.db2.gz SNBSYLIHNPVJTR-LJQANCHMSA-N 1 2 403.442 2.041 20 0 HEADLO Cc1noc(C)c1CN(C)C(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000744292090 1077357291 /nfs/dbraw/zinc/35/72/91/1077357291.db2.gz RMQXNVRZUFWNBA-UHFFFAOYSA-N 1 2 402.495 2.344 20 0 HEADLO O=C(NCc1ccccc1OCC[NH+]1CCOCC1)NC[C@@H](O)c1ccc(F)cc1 ZINC000744292055 1077357438 /nfs/dbraw/zinc/35/74/38/1077357438.db2.gz NCSULRBGTQPXID-HXUWFJFHSA-N 1 2 417.481 2.070 20 0 HEADLO CON(C)S(=O)(=O)c1ccc(NC(=O)NCC[NH+]2Cc3ccccc3C2)cc1 ZINC000744754931 1077569480 /nfs/dbraw/zinc/56/94/80/1077569480.db2.gz FUYFTSUVGQZHLD-UHFFFAOYSA-N 1 2 404.492 2.006 20 0 HEADLO Cc1ccc(N2CCC(C(=O)OCC(=O)N=c3cc[nH]n3[C@H](C)C3CC3)CC2)[nH+]c1 ZINC000744848222 1077632630 /nfs/dbraw/zinc/63/26/30/1077632630.db2.gz OFNFAJNKKVIMDB-MRXNPFEDSA-N 1 2 411.506 2.378 20 0 HEADLO C[C@@H](OC(=O)c1cccnc1N1CC[NH+](Cc2cccc(Cl)c2)CC1)C(N)=O ZINC000744879181 1077648964 /nfs/dbraw/zinc/64/89/64/1077648964.db2.gz QSEMGHDXXYTOOA-CQSZACIVSA-N 1 2 402.882 2.088 20 0 HEADLO CCOC(=O)/C=C/c1ccc(NC(=O)C(=O)NCC[NH+]2Cc3ccccc3C2)cc1 ZINC000744926123 1077655018 /nfs/dbraw/zinc/65/50/18/1077655018.db2.gz ZUJWFLAHPDUEMG-FMIVXFBMSA-N 1 2 407.470 2.333 20 0 HEADLO CCOC(=O)N1CCN(C(=O)[C@H](C)OC(=O)[C@@H](c2ccccc2)[NH+](CC)CC)CC1 ZINC000744998250 1077701066 /nfs/dbraw/zinc/70/10/66/1077701066.db2.gz QLUBPEOVXRHGIO-PKOBYXMFSA-N 1 2 419.522 2.302 20 0 HEADLO C[C@@H](OC(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1)C(=O)NC(=O)NCC(F)(F)F ZINC000745103627 1077732304 /nfs/dbraw/zinc/73/23/04/1077732304.db2.gz GXFNQTMTIRLPNF-UKRRQHHQSA-N 1 2 415.412 2.361 20 0 HEADLO C[C@@H](OC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1)C(=O)NC(=O)NCC(F)(F)F ZINC000745103627 1077732310 /nfs/dbraw/zinc/73/23/10/1077732310.db2.gz GXFNQTMTIRLPNF-UKRRQHHQSA-N 1 2 415.412 2.361 20 0 HEADLO Cn1c(-c2nc([C@H]3C[N@@H+]4CCCC[C@@H]4CO3)no2)cc2c1nc1ccccn1c2=O ZINC000771787547 1079506146 /nfs/dbraw/zinc/50/61/46/1079506146.db2.gz UPYHUFBYOCCNCU-CZUORRHYSA-N 1 2 406.446 2.162 20 0 HEADLO Cn1c(-c2nc([C@H]3C[N@H+]4CCCC[C@@H]4CO3)no2)cc2c1nc1ccccn1c2=O ZINC000771787547 1079506158 /nfs/dbraw/zinc/50/61/58/1079506158.db2.gz UPYHUFBYOCCNCU-CZUORRHYSA-N 1 2 406.446 2.162 20 0 HEADLO COCCOC(=O)c1sc2[nH]c(C[N@H+](C[C@H]3CCOC3)C3CC3)nc(=O)c2c1C ZINC000771796321 1079511805 /nfs/dbraw/zinc/51/18/05/1079511805.db2.gz ZDDOMUSTCGUIFN-CYBMUJFWSA-N 1 2 421.519 2.097 20 0 HEADLO COCCOC(=O)c1sc2[nH]c(C[N@@H+](C[C@H]3CCOC3)C3CC3)nc(=O)c2c1C ZINC000771796321 1079511817 /nfs/dbraw/zinc/51/18/17/1079511817.db2.gz ZDDOMUSTCGUIFN-CYBMUJFWSA-N 1 2 421.519 2.097 20 0 HEADLO CC(C)(C)OC(=O)NC[C@@](C)([NH2+]CC1=Nc2ccccc2S(=O)(=O)N1)C1CC1 ZINC000766937123 1079527236 /nfs/dbraw/zinc/52/72/36/1079527236.db2.gz AQISBEICMYDIEM-LJQANCHMSA-N 1 2 408.524 2.292 20 0 HEADLO Cn1cc([C@H](O)C[C@H]2CCC[N@@H+]2Cc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)cn1 ZINC000766945228 1079533213 /nfs/dbraw/zinc/53/32/13/1079533213.db2.gz HUJKGMWOVBMTTH-IEBWSBKVSA-N 1 2 419.489 2.343 20 0 HEADLO Cn1cc([C@H](O)C[C@H]2CCC[N@H+]2Cc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)cn1 ZINC000766945228 1079533222 /nfs/dbraw/zinc/53/32/22/1079533222.db2.gz HUJKGMWOVBMTTH-IEBWSBKVSA-N 1 2 419.489 2.343 20 0 HEADLO CCOC(=O)CNC(=O)C1CC[NH+](CN2C(=S)N=NC2CCC2CCCC2)CC1 ZINC000771866412 1079556789 /nfs/dbraw/zinc/55/67/89/1079556789.db2.gz NKVKWOJPYARDOV-UHFFFAOYSA-N 1 2 423.583 2.038 20 0 HEADLO Cc1c(C(=O)OCC(=O)N2CC[NH+](Cc3cccs3)CC2)cnn1CC(C)C ZINC000767017399 1079591104 /nfs/dbraw/zinc/59/11/04/1079591104.db2.gz MPYLGUKVEPAWHT-UHFFFAOYSA-N 1 2 404.536 2.410 20 0 HEADLO COC(=O)C[C@@]1([NH2+]Cc2nnc(-c3ccc(Br)s3)o2)CCOC1 ZINC000767029531 1079614251 /nfs/dbraw/zinc/61/42/51/1079614251.db2.gz GQDWFPAULFVOEE-AWEZNQCLSA-N 1 2 402.270 2.372 20 0 HEADLO COC(=O)/C=C1\SCC(=O)N1CCC[N@@H+]1CCO[C@H](c2cccc(OC)c2)C1 ZINC000767073906 1079645753 /nfs/dbraw/zinc/64/57/53/1079645753.db2.gz GWKJEDLQYZZNGF-LSPINASFSA-N 1 2 406.504 2.048 20 0 HEADLO COC(=O)/C=C1\SCC(=O)N1CCC[N@H+]1CCO[C@H](c2cccc(OC)c2)C1 ZINC000767073906 1079645764 /nfs/dbraw/zinc/64/57/64/1079645764.db2.gz GWKJEDLQYZZNGF-LSPINASFSA-N 1 2 406.504 2.048 20 0 HEADLO C[C@@H]1CN(c2ccc(NC(=O)COC(=O)C[N@H+](C)[C@H]3CCSC3)cc2)C[C@@H](C)O1 ZINC000767111879 1079665510 /nfs/dbraw/zinc/66/55/10/1079665510.db2.gz MWISJZDSLRHJAG-MDZRGWNJSA-N 1 2 421.563 2.219 20 0 HEADLO C[C@@H]1CN(c2ccc(NC(=O)COC(=O)C[N@@H+](C)[C@H]3CCSC3)cc2)C[C@@H](C)O1 ZINC000767111879 1079665520 /nfs/dbraw/zinc/66/55/20/1079665520.db2.gz MWISJZDSLRHJAG-MDZRGWNJSA-N 1 2 421.563 2.219 20 0 HEADLO COc1cccc(OCC[NH+]2CCN(C(=O)NC[C@H]3CSCCS3)CC2)c1 ZINC000767091424 1079672658 /nfs/dbraw/zinc/67/26/58/1079672658.db2.gz KACVVJYIDVPQIN-SFHVURJKSA-N 1 2 411.593 2.250 20 0 HEADLO COc1ccc(-c2noc(C[NH+]3CCC(Oc4ccnc(C(N)=O)c4)CC3)n2)cc1 ZINC000772333742 1079827139 /nfs/dbraw/zinc/82/71/39/1079827139.db2.gz VCZAWMLZJRJMPU-UHFFFAOYSA-N 1 2 409.446 2.283 20 0 HEADLO CN(Cc1ccc(Cl)s1)C(=O)C[NH+]1CCC(Oc2ccnc(C(N)=O)c2)CC1 ZINC000772335943 1079828591 /nfs/dbraw/zinc/82/85/91/1079828591.db2.gz MBWIKCZLVPHXEH-UHFFFAOYSA-N 1 2 422.938 2.397 20 0 HEADLO CC(C)C[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](C)C[NH+]1CCN(C)CC1 ZINC000767431221 1079860037 /nfs/dbraw/zinc/86/00/37/1079860037.db2.gz PROYBAFEMBAFEB-UYAOXDASSA-N 1 2 404.555 2.080 20 0 HEADLO Cc1cc(C)c(C)c(S(=O)(=O)NCC(=O)OCc2cc[nH+]c(N(C)C)c2)c1C ZINC000767452282 1079879187 /nfs/dbraw/zinc/87/91/87/1079879187.db2.gz RKVNIRKPAYDHQV-UHFFFAOYSA-N 1 2 405.520 2.403 20 0 HEADLO C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000767502973 1079894247 /nfs/dbraw/zinc/89/42/47/1079894247.db2.gz XCMQSLKBEDLWDC-UTUOFQBUSA-N 1 2 417.325 2.035 20 0 HEADLO C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000767502973 1079894249 /nfs/dbraw/zinc/89/42/49/1079894249.db2.gz XCMQSLKBEDLWDC-UTUOFQBUSA-N 1 2 417.325 2.035 20 0 HEADLO O=C(COc1cccc(NC(=O)c2ccco2)c1)OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000767480075 1079896901 /nfs/dbraw/zinc/89/69/01/1079896901.db2.gz DNCAEIGNAZXGAN-HDICACEKSA-N 1 2 400.431 2.317 20 0 HEADLO O=C(COc1cccc(NC(=O)c2ccco2)c1)OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000767480075 1079896905 /nfs/dbraw/zinc/89/69/05/1079896905.db2.gz DNCAEIGNAZXGAN-HDICACEKSA-N 1 2 400.431 2.317 20 0 HEADLO O=C(OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)[C@@H]1CSCN1C(=O)c1ccc(Cl)cc1 ZINC000767533308 1079925394 /nfs/dbraw/zinc/92/53/94/1079925394.db2.gz DBMZHMLVNVCPLR-BBWFWOEESA-N 1 2 410.923 2.262 20 0 HEADLO O=C(OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)[C@@H]1CSCN1C(=O)c1ccc(Cl)cc1 ZINC000767533308 1079925401 /nfs/dbraw/zinc/92/54/01/1079925401.db2.gz DBMZHMLVNVCPLR-BBWFWOEESA-N 1 2 410.923 2.262 20 0 HEADLO CC(=O)Oc1ccc(COC(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000767540799 1079945602 /nfs/dbraw/zinc/94/56/02/1079945602.db2.gz ZWXZHSQYYODZES-UHFFFAOYSA-N 1 2 411.458 2.179 20 0 HEADLO O=C(OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)c1cccc(I)c1O ZINC000767599137 1079998243 /nfs/dbraw/zinc/99/82/43/1079998243.db2.gz RCIODWISMCRJLY-PHIMTYICSA-N 1 2 403.216 2.017 20 0 HEADLO O=C(OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)c1cccc(I)c1O ZINC000767599137 1079998261 /nfs/dbraw/zinc/99/82/61/1079998261.db2.gz RCIODWISMCRJLY-PHIMTYICSA-N 1 2 403.216 2.017 20 0 HEADLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)Nc2cnn(Cc3nnc4n3CCCC4)c2)C1 ZINC000772641459 1080008499 /nfs/dbraw/zinc/00/84/99/1080008499.db2.gz QBPOGRQZQHFOGJ-HNNXBMFYSA-N 1 2 409.498 2.004 20 0 HEADLO CCCCCCn1cc(S(=O)(=O)NCc2[nH+]cc(C)c(OC)c2C)c(=O)[nH]c1=O ZINC000772649953 1080012136 /nfs/dbraw/zinc/01/21/36/1080012136.db2.gz PPOOXBHLLPFOKD-UHFFFAOYSA-N 1 2 424.523 2.028 20 0 HEADLO Cn1cc[nH+]c1[C@H]1CCCN(S(=O)(=O)[C@H]2CCCN(C(=O)c3ccccc3)C2)C1 ZINC000767655817 1080022990 /nfs/dbraw/zinc/02/29/90/1080022990.db2.gz NLAFLUCMBGJPLS-OALUTQOASA-N 1 2 416.547 2.234 20 0 HEADLO COc1ccc(OC)c([C@@H](C)NC(=O)C(=O)NCc2[nH+]cc(C)c(OC)c2C)c1 ZINC000785502774 1080024156 /nfs/dbraw/zinc/02/41/56/1080024156.db2.gz TUUHYILWVWSDBT-CQSZACIVSA-N 1 2 401.463 2.218 20 0 HEADLO O=C(C[C@H]1CSCCS1)OCC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000767696949 1080027716 /nfs/dbraw/zinc/02/77/16/1080027716.db2.gz KLPLHFDCAHHCBL-HNNXBMFYSA-N 1 2 400.591 2.174 20 0 HEADLO CCC(CC)[C@H](CNS(=O)(=O)c1cnc(Cl)c(OC)c1)[NH+]1CCOCC1 ZINC000767697872 1080028894 /nfs/dbraw/zinc/02/88/94/1080028894.db2.gz FDVRUVBDQSSRAI-HNNXBMFYSA-N 1 2 405.948 2.159 20 0 HEADLO CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000767702677 1080031874 /nfs/dbraw/zinc/03/18/74/1080031874.db2.gz BMZAMROMJIZLIM-UXHICEINSA-N 1 2 403.523 2.261 20 0 HEADLO COc1cc(S(=O)(=O)N2CC[NH+](CCc3cccs3)CC2)cnc1Cl ZINC000767724946 1080054034 /nfs/dbraw/zinc/05/40/34/1080054034.db2.gz SRQCBTDZERAEKJ-UHFFFAOYSA-N 1 2 401.941 2.354 20 0 HEADLO C[C@@H](C(=O)NC1CCCCC1)[NH+]1CCN(c2ccc(NS(C)(=O)=O)cc2)CC1 ZINC000767746694 1080064780 /nfs/dbraw/zinc/06/47/80/1080064780.db2.gz QHYTWXXGQLXVGO-INIZCTEOSA-N 1 2 408.568 2.018 20 0 HEADLO C[C@H](C(=O)N[C@@H]1CCCC[C@H]1C)[NH+]1CCN(c2ccc(NS(C)(=O)=O)cc2)CC1 ZINC000767753953 1080070378 /nfs/dbraw/zinc/07/03/78/1080070378.db2.gz ONZIWFXUSIAKHU-MBOZVWFJSA-N 1 2 422.595 2.264 20 0 HEADLO CN(CCCn1cc[nH+]c1)Cn1nc(-c2cccs2)n(CCC(N)=O)c1=S ZINC000767754866 1080071481 /nfs/dbraw/zinc/07/14/81/1080071481.db2.gz LCKKNTNDFBMUBI-UHFFFAOYSA-N 1 2 405.553 2.194 20 0 HEADLO C[C@H](OC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ncc(-c2ccccc2)o1 ZINC000785657435 1080176636 /nfs/dbraw/zinc/17/66/36/1080176636.db2.gz GKJSYTFKSAUALB-WMZOPIPTSA-N 1 2 413.474 2.127 20 0 HEADLO O=C(OCc1ccc(Cl)c(Cl)c1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000785659874 1080181858 /nfs/dbraw/zinc/18/18/58/1080181858.db2.gz SQQCQACYWSKNHB-AWEZNQCLSA-N 1 2 401.290 2.217 20 0 HEADLO COc1ccc([C@H](CNC(=O)N(CCS(C)(=O)=O)C(C)C)[NH+]2CCCC2)cc1 ZINC000767889114 1080205667 /nfs/dbraw/zinc/20/56/67/1080205667.db2.gz MIKAZBOFTLAELR-IBGZPJMESA-N 1 2 411.568 2.297 20 0 HEADLO CCS(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[N@@H+](C3CCOCC3)C[C@H]2C)c1 ZINC000785831842 1080263404 /nfs/dbraw/zinc/26/34/04/1080263404.db2.gz QBZUVVHAOOQGJX-CQSZACIVSA-N 1 2 414.955 2.459 20 0 HEADLO CCS(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[N@H+](C3CCOCC3)C[C@H]2C)c1 ZINC000785831842 1080263416 /nfs/dbraw/zinc/26/34/16/1080263416.db2.gz QBZUVVHAOOQGJX-CQSZACIVSA-N 1 2 414.955 2.459 20 0 HEADLO COc1ccccc1[C@H](CNC(=O)N(CCS(C)(=O)=O)C(C)C)[NH+]1CCCC1 ZINC000768021090 1080288047 /nfs/dbraw/zinc/28/80/47/1080288047.db2.gz NKMKTPQOIUUWQD-SFHVURJKSA-N 1 2 411.568 2.297 20 0 HEADLO CC(C)(C)OC(=O)N[C@](C)(C(=O)N1CC[NH+]([C@H]2CCOC2)CC1)c1ccccc1 ZINC000768029837 1080293931 /nfs/dbraw/zinc/29/39/31/1080293931.db2.gz DMPMOLGNGOTINC-AVRDEDQJSA-N 1 2 403.523 2.360 20 0 HEADLO C[N@@H+]1CCO[C@@H]([C@H](NC(=O)N2CCCC3(C2)OCCO3)c2ccc(Cl)cc2)C1 ZINC000768103688 1080340041 /nfs/dbraw/zinc/34/00/41/1080340041.db2.gz VNRJIPZYMJOVHO-QZTJIDSGSA-N 1 2 409.914 2.260 20 0 HEADLO C[N@H+]1CCO[C@@H]([C@H](NC(=O)N2CCCC3(C2)OCCO3)c2ccc(Cl)cc2)C1 ZINC000768103688 1080340057 /nfs/dbraw/zinc/34/00/57/1080340057.db2.gz VNRJIPZYMJOVHO-QZTJIDSGSA-N 1 2 409.914 2.260 20 0 HEADLO O=C(COC(=O)c1cc2ccccn2c1)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000785995079 1080355769 /nfs/dbraw/zinc/35/57/69/1080355769.db2.gz BZDQXJGIRGVUIS-UHFFFAOYSA-N 1 2 419.481 2.375 20 0 HEADLO COCCC[N@H+](Cc1ccc(NC(=O)OC(C)(C)C)nc1)[C@H]1CCS(=O)(=O)C1 ZINC000768204238 1080394867 /nfs/dbraw/zinc/39/48/67/1080394867.db2.gz TWNYHRHLIJJMQL-INIZCTEOSA-N 1 2 413.540 2.454 20 0 HEADLO COCCC[N@@H+](Cc1ccc(NC(=O)OC(C)(C)C)nc1)[C@H]1CCS(=O)(=O)C1 ZINC000768204238 1080394872 /nfs/dbraw/zinc/39/48/72/1080394872.db2.gz TWNYHRHLIJJMQL-INIZCTEOSA-N 1 2 413.540 2.454 20 0 HEADLO CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000768301033 1080472023 /nfs/dbraw/zinc/47/20/23/1080472023.db2.gz WKCRWCGSHBFNLK-SFHVURJKSA-N 1 2 415.494 2.476 20 0 HEADLO CN(CCCn1cc[nH+]c1)C(=O)c1cc(S(C)(=O)=O)ccc1Br ZINC000768325237 1080487282 /nfs/dbraw/zinc/48/72/82/1080487282.db2.gz ULHFDQMAVKKAQB-UHFFFAOYSA-N 1 2 400.298 2.211 20 0 HEADLO CC(C)OCCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[C@@H]3C=C[C@H]1CC3)C2 ZINC001109307263 1080574388 /nfs/dbraw/zinc/57/43/88/1080574388.db2.gz BJSSHEFJNNZOID-ZPLOVTKXSA-N 1 2 403.567 2.242 20 0 HEADLO CC(C)OCCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[C@@H]3C=C[C@H]1CC3)C2 ZINC001109307263 1080574396 /nfs/dbraw/zinc/57/43/96/1080574396.db2.gz BJSSHEFJNNZOID-ZPLOVTKXSA-N 1 2 403.567 2.242 20 0 HEADLO O=C1C(=O)N(C2CCCC2)C(=O)N1C[NH+]1CCC(OCc2ccc(F)cc2)CC1 ZINC000768480643 1080576278 /nfs/dbraw/zinc/57/62/78/1080576278.db2.gz DBAAXQYIYVGUCI-UHFFFAOYSA-N 1 2 403.454 2.498 20 0 HEADLO CC1CCC2(CC1)NC(=O)N(NC(=O)C[N@@H+]1CCC[C@@H](Nc3ccccc3)C1)C2=O ZINC000768556991 1080627133 /nfs/dbraw/zinc/62/71/33/1080627133.db2.gz RTWAGPYZGALOSK-ASNBIDDJSA-N 1 2 413.522 2.095 20 0 HEADLO CC1CCC2(CC1)NC(=O)N(NC(=O)C[N@H+]1CCC[C@@H](Nc3ccccc3)C1)C2=O ZINC000768556991 1080627137 /nfs/dbraw/zinc/62/71/37/1080627137.db2.gz RTWAGPYZGALOSK-ASNBIDDJSA-N 1 2 413.522 2.095 20 0 HEADLO Cc1ccc(N2CCN(C(=O)C(=O)NCc3cc[nH+]c(N4CCCCC4)c3)CC2)cc1 ZINC000786465135 1080643947 /nfs/dbraw/zinc/64/39/47/1080643947.db2.gz GVOIUKBTXVSNQC-UHFFFAOYSA-N 1 2 421.545 2.345 20 0 HEADLO C[C@@H](C[C@@H]1COCCN1C(=O)OC(C)(C)C)[NH2+]c1ccc(N2CCNC(=O)C2)cc1 ZINC000768666546 1080707500 /nfs/dbraw/zinc/70/75/00/1080707500.db2.gz ULBCNEYGRQNIBL-QFBILLFUSA-N 1 2 418.538 2.449 20 0 HEADLO CN(CCCn1cc[nH+]c1)C(=O)C(=O)Nc1ccc(NC(=O)OC(C)(C)C)nc1 ZINC000768739050 1080763694 /nfs/dbraw/zinc/76/36/94/1080763694.db2.gz DJIWFCFNJGEJQW-UHFFFAOYSA-N 1 2 402.455 2.112 20 0 HEADLO Cc1cccc([C@H](O)CNC(=O)C(=O)Nc2cccc([C@@H](C)[NH+]3CCOCC3)c2)c1 ZINC000768740863 1080765430 /nfs/dbraw/zinc/76/54/30/1080765430.db2.gz ZWXNNAJIVAGPPQ-DYESRHJHSA-N 1 2 411.502 2.177 20 0 HEADLO O=C(NCCc1c[nH]c2cc(F)ccc12)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000786754681 1080796532 /nfs/dbraw/zinc/79/65/32/1080796532.db2.gz SCLRYAXHQSKXRM-UHFFFAOYSA-N 1 2 405.433 2.468 20 0 HEADLO CC1(C)CC([N@@H+]2CCn3c(CNC(=O)c4ccno4)cnc3C2)CC(C)(C)N1O ZINC001169996110 1080799175 /nfs/dbraw/zinc/79/91/75/1080799175.db2.gz MEJXCYWAXPHECQ-UHFFFAOYSA-N 1 2 402.499 2.028 20 0 HEADLO CC1(C)CC([N@H+]2CCn3c(CNC(=O)c4ccno4)cnc3C2)CC(C)(C)N1O ZINC001169996110 1080799181 /nfs/dbraw/zinc/79/91/81/1080799181.db2.gz MEJXCYWAXPHECQ-UHFFFAOYSA-N 1 2 402.499 2.028 20 0 HEADLO C[C@H](CNC(=O)OC(C)(C)C)NC(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000768953071 1080881429 /nfs/dbraw/zinc/88/14/29/1080881429.db2.gz KIMIVXJIMDVSER-QGZVFWFLSA-N 1 2 406.527 2.306 20 0 HEADLO COC(=O)[C@](C)(NC(=O)[C@@H]1CCc2[nH+]ccn2C1)c1cccc(Br)c1 ZINC000786933987 1080898171 /nfs/dbraw/zinc/89/81/71/1080898171.db2.gz FECCLWNURVXGDW-KZULUSFZSA-N 1 2 406.280 2.413 20 0 HEADLO O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)OCc1cc(-c2ccccc2)no1 ZINC000786994421 1080904809 /nfs/dbraw/zinc/90/48/09/1080904809.db2.gz QNXFAWJXISJKLL-FQEVSTJZSA-N 1 2 413.474 2.098 20 0 HEADLO O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)OCc1ccccc1OC(F)F ZINC000786997554 1080907837 /nfs/dbraw/zinc/90/78/37/1080907837.db2.gz IBZHNZSHZUEBBZ-QGZVFWFLSA-N 1 2 412.433 2.045 20 0 HEADLO COc1ccc(Cl)c(COC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)c1 ZINC000786999266 1080910840 /nfs/dbraw/zinc/91/08/40/1080910840.db2.gz HVOUACJDYYPUJQ-GOSISDBHSA-N 1 2 410.898 2.105 20 0 HEADLO C[C@H](OC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)c1ncc(C(C)(C)C)o1 ZINC000786998974 1080911770 /nfs/dbraw/zinc/91/17/70/1080911770.db2.gz LPWOMABKHXWIIN-JKSUJKDBSA-N 1 2 407.511 2.290 20 0 HEADLO O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)OCc1csc(-c2ccco2)n1 ZINC000786999989 1080913340 /nfs/dbraw/zinc/91/33/40/1080913340.db2.gz JVTJDWYZKIBWEP-KRWDZBQOSA-N 1 2 419.503 2.160 20 0 HEADLO C[C@@H]1Oc2ccc(NC(=O)C[NH+]3CCC(NC(=O)OC(C)(C)C)CC3)cc2NC1=O ZINC000769079094 1080930755 /nfs/dbraw/zinc/93/07/55/1080930755.db2.gz WZINBQCLWRGUSA-ZDUSSCGKSA-N 1 2 418.494 2.334 20 0 HEADLO C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1c2ccccc2CCN1C(=O)OC(C)(C)C ZINC000769122449 1080944428 /nfs/dbraw/zinc/94/44/28/1080944428.db2.gz JRVIUHIPRUXDCC-APWZRJJASA-N 1 2 403.523 2.358 20 0 HEADLO O=C(NC[C@@H](O)c1cc(F)cc(Cl)c1)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000787037307 1080960626 /nfs/dbraw/zinc/96/06/26/1080960626.db2.gz RWTRUERSYDJOMB-SJLPKXTDSA-N 1 2 417.934 2.020 20 0 HEADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)C(=O)NCCc2ccc(Br)cc2)C1 ZINC000787047862 1080971412 /nfs/dbraw/zinc/97/14/12/1080971412.db2.gz WWJGJMDRBVGKNJ-OAHLLOKOSA-N 1 2 419.323 2.248 20 0 HEADLO CC(C)(C)OC(=O)N[C@H](C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)C(C)(C)C ZINC000769186993 1080996542 /nfs/dbraw/zinc/99/65/42/1080996542.db2.gz GGDUEUXWCYQYOP-MRXNPFEDSA-N 1 2 409.531 2.093 20 0 HEADLO Cc1cccn2cc(CNC(=O)C[NH+]3CCC(NC(=O)OC(C)(C)C)CC3)nc12 ZINC000769187418 1080997240 /nfs/dbraw/zinc/99/72/40/1080997240.db2.gz CRDHCFIIKOYROD-UHFFFAOYSA-N 1 2 401.511 2.248 20 0 HEADLO COC(=O)NCc1ccc(NC(=O)C[NH+]2CCC(NC(=O)OC(C)(C)C)CC2)cc1 ZINC000769208363 1081003018 /nfs/dbraw/zinc/00/30/18/1081003018.db2.gz KLEPZUVLMNUHHL-UHFFFAOYSA-N 1 2 420.510 2.470 20 0 HEADLO Cn1ccnc1CN1CC[NH+](Cc2cc3ccccc3nc2N2CCOCC2)CC1 ZINC000769335007 1081045795 /nfs/dbraw/zinc/04/57/95/1081045795.db2.gz SAVJWQPZPVPCHF-UHFFFAOYSA-N 1 2 406.534 2.123 20 0 HEADLO CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCN(C[C@@H](O)COc3ccccc3)CC2)C1 ZINC000769368148 1081055285 /nfs/dbraw/zinc/05/52/85/1081055285.db2.gz DQLAHUJJAIOYMX-RBUKOAKNSA-N 1 2 405.539 2.053 20 0 HEADLO COC(=O)c1cccc(NC(=O)C[N@@H+]2CCC[C@H](CNC(=O)OC(C)(C)C)C2)n1 ZINC000787204368 1081060872 /nfs/dbraw/zinc/06/08/72/1081060872.db2.gz IHZMOQJOEIJHMX-CQSZACIVSA-N 1 2 406.483 2.043 20 0 HEADLO COC(=O)c1cccc(NC(=O)C[N@H+]2CCC[C@H](CNC(=O)OC(C)(C)C)C2)n1 ZINC000787204368 1081060881 /nfs/dbraw/zinc/06/08/81/1081060881.db2.gz IHZMOQJOEIJHMX-CQSZACIVSA-N 1 2 406.483 2.043 20 0 HEADLO COc1cc(CNC(=O)C(=O)NCc2[nH+]cc(C)c(OC)c2C)ccc1OC(C)C ZINC000787240082 1081065577 /nfs/dbraw/zinc/06/55/77/1081065577.db2.gz OSBOMURHWOJBJH-UHFFFAOYSA-N 1 2 415.490 2.435 20 0 HEADLO COC(=O)c1cccc(NC(=O)C[N@@H+]2CCC[C@H](C)[C@@H]2CNC(=O)OC(C)(C)C)n1 ZINC000787254597 1081072958 /nfs/dbraw/zinc/07/29/58/1081072958.db2.gz FHLCNXNOBNALAO-HOCLYGCPSA-N 1 2 420.510 2.432 20 0 HEADLO COC(=O)c1cccc(NC(=O)C[N@H+]2CCC[C@H](C)[C@@H]2CNC(=O)OC(C)(C)C)n1 ZINC000787254597 1081072966 /nfs/dbraw/zinc/07/29/66/1081072966.db2.gz FHLCNXNOBNALAO-HOCLYGCPSA-N 1 2 420.510 2.432 20 0 HEADLO C[S@](=O)CC[NH+]1CCN(Cc2nc(-c3ccc(Br)cc3)c[nH]2)CC1 ZINC000769480777 1081078014 /nfs/dbraw/zinc/07/80/14/1081078014.db2.gz OVCYKLXYPNIWFD-DEOSSOPVSA-N 1 2 411.369 2.335 20 0 HEADLO C[S@](=O)CC[NH+]1CCN(Cc2cnn(-c3ccc(Br)cc3)c2)CC1 ZINC000769482056 1081078435 /nfs/dbraw/zinc/07/84/35/1081078435.db2.gz YDIKTAUNRYFWHV-DEOSSOPVSA-N 1 2 411.369 2.131 20 0 HEADLO CCOCCOCC[N@H+](C)Cn1c2cc(S(=O)(=O)N(C)C)ccc2oc1=S ZINC000787237673 1081083885 /nfs/dbraw/zinc/08/38/85/1081083885.db2.gz VWKSWUBPPBLMAN-UHFFFAOYSA-N 1 2 417.553 2.156 20 0 HEADLO CCOCCOCC[N@@H+](C)Cn1c2cc(S(=O)(=O)N(C)C)ccc2oc1=S ZINC000787237673 1081083890 /nfs/dbraw/zinc/08/38/90/1081083890.db2.gz VWKSWUBPPBLMAN-UHFFFAOYSA-N 1 2 417.553 2.156 20 0 HEADLO COc1cc(CNC(=O)C(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)ccc1OC(C)C ZINC000787239010 1081084895 /nfs/dbraw/zinc/08/48/95/1081084895.db2.gz VTXSBJQTHJUKGV-QGZVFWFLSA-N 1 2 414.506 2.238 20 0 HEADLO COc1ccc(CNC(=O)C(=O)NCc2[nH+]cc(C)c(OC)c2C)cc1OC(F)F ZINC000787297904 1081097373 /nfs/dbraw/zinc/09/73/73/1081097373.db2.gz GNLHOPCLYODHBP-UHFFFAOYSA-N 1 2 423.416 2.250 20 0 HEADLO COc1ccc(CNC(=O)C(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)cc1OC(F)F ZINC000787298124 1081099118 /nfs/dbraw/zinc/09/91/18/1081099118.db2.gz JPCPPULKACSNPW-AWEZNQCLSA-N 1 2 422.432 2.053 20 0 HEADLO CN1CCN(c2ncc(C[N@H+](C3CC3)[C@@H]3CCN(C(=O)OC(C)(C)C)C3)cn2)CC1 ZINC000769530322 1081110217 /nfs/dbraw/zinc/11/02/17/1081110217.db2.gz JWDOGPHWMYHREW-LJQANCHMSA-N 1 2 416.570 2.202 20 0 HEADLO CN1CCN(c2ncc(C[N@@H+](C3CC3)[C@@H]3CCN(C(=O)OC(C)(C)C)C3)cn2)CC1 ZINC000769530322 1081110219 /nfs/dbraw/zinc/11/02/19/1081110219.db2.gz JWDOGPHWMYHREW-LJQANCHMSA-N 1 2 416.570 2.202 20 0 HEADLO COCCN1CC[N@H+](C)C2(CCN(c3nc(Cl)nc4c3CCCCC4)CC2)C1=O ZINC001164632634 719273528 /nfs/dbraw/zinc/27/35/28/719273528.db2.gz AHNDNQGRLKBBBT-UHFFFAOYSA-N 1 2 421.973 2.158 20 0 HEADLO COCCN1CC[N@@H+](C)C2(CCN(c3nc(Cl)nc4c3CCCCC4)CC2)C1=O ZINC001164632634 719273530 /nfs/dbraw/zinc/27/35/30/719273530.db2.gz AHNDNQGRLKBBBT-UHFFFAOYSA-N 1 2 421.973 2.158 20 0 HEADLO COCCN1CC[N@H+](C)C2(CCN(c3cc4nccc(Cl)c4cn3)CC2)C1=O ZINC001164636778 719273576 /nfs/dbraw/zinc/27/35/76/719273576.db2.gz WVCVUQPGTZRIOO-UHFFFAOYSA-N 1 2 403.914 2.043 20 0 HEADLO COCCN1CC[N@@H+](C)C2(CCN(c3cc4nccc(Cl)c4cn3)CC2)C1=O ZINC001164636778 719273580 /nfs/dbraw/zinc/27/35/80/719273580.db2.gz WVCVUQPGTZRIOO-UHFFFAOYSA-N 1 2 403.914 2.043 20 0 HEADLO COCCN1CC[N@H+](C)C2(CCN(c3ccc(-c4cccc(C)c4)nn3)CC2)C1=O ZINC001164644125 719280573 /nfs/dbraw/zinc/28/05/73/719280573.db2.gz DVNWEKUBHGHGNR-UHFFFAOYSA-N 1 2 409.534 2.211 20 0 HEADLO COCCN1CC[N@@H+](C)C2(CCN(c3ccc(-c4cccc(C)c4)nn3)CC2)C1=O ZINC001164644125 719280574 /nfs/dbraw/zinc/28/05/74/719280574.db2.gz DVNWEKUBHGHGNR-UHFFFAOYSA-N 1 2 409.534 2.211 20 0 HEADLO Fc1ccc(C[N@@H+]2CCOCC23CCN(c2cncc(-n4cncn4)n2)CC3)cc1 ZINC001164672653 719525858 /nfs/dbraw/zinc/52/58/58/719525858.db2.gz MBGSBGUUDMZXNL-UHFFFAOYSA-N 1 2 409.469 2.068 20 0 HEADLO Fc1ccc(C[N@H+]2CCOCC23CCN(c2cncc(-n4cncn4)n2)CC3)cc1 ZINC001164672653 719525869 /nfs/dbraw/zinc/52/58/69/719525869.db2.gz MBGSBGUUDMZXNL-UHFFFAOYSA-N 1 2 409.469 2.068 20 0 HEADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc(C(=O)OC(C)(C)C)ccn1 ZINC001164699888 719843863 /nfs/dbraw/zinc/84/38/63/719843863.db2.gz ISMFZBGUQJSESS-HTAPYJJXSA-N 1 2 419.522 2.270 20 0 HEADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(F)(F)c1cnc(Cl)cc1N ZINC001164702565 719856458 /nfs/dbraw/zinc/85/64/58/719856458.db2.gz NYKSGAOSIGVXDH-PXAZEXFGSA-N 1 2 418.872 2.095 20 0 HEADLO Cc1nc(Cl)cc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)c1C ZINC001164709520 719910902 /nfs/dbraw/zinc/91/09/02/719910902.db2.gz XUWMRXKWPSJAPA-UHFFFAOYSA-N 1 2 402.930 2.036 20 0 HEADLO Cc1nc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)c(Cl)cc1Cl ZINC001164709035 719918846 /nfs/dbraw/zinc/91/88/46/719918846.db2.gz WUCMOZHGHWOJSY-UHFFFAOYSA-N 1 2 423.348 2.381 20 0 HEADLO Cc1noc([C@@]23COC[C@@H]2CN(c2ncnc4c2C[N@H+](Cc2ccccc2)CC4)C3)n1 ZINC001164807585 720055211 /nfs/dbraw/zinc/05/52/11/720055211.db2.gz WBEBKVPPZOEVPH-MBSDFSHPSA-N 1 2 418.501 2.131 20 0 HEADLO Cc1noc([C@@]23COC[C@@H]2CN(c2ncnc4c2C[N@@H+](Cc2ccccc2)CC4)C3)n1 ZINC001164807585 720055216 /nfs/dbraw/zinc/05/52/16/720055216.db2.gz WBEBKVPPZOEVPH-MBSDFSHPSA-N 1 2 418.501 2.131 20 0 HEADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3cc(C4CCCCC4)nc(C)n3)C2)C1 ZINC001164721526 720277522 /nfs/dbraw/zinc/27/75/22/720277522.db2.gz KNJHHUPGKZPFPN-QHCPKHFHSA-N 1 2 415.582 2.498 20 0 HEADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3cc(C4CCCCC4)nc(C)n3)C2)C1 ZINC001164721526 720277539 /nfs/dbraw/zinc/27/75/39/720277539.db2.gz KNJHHUPGKZPFPN-QHCPKHFHSA-N 1 2 415.582 2.498 20 0 HEADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nnc(C)cc4C)CC3)C2=O)cs1 ZINC001164826509 720364613 /nfs/dbraw/zinc/36/46/13/720364613.db2.gz WNARSYHMLQBZQF-UHFFFAOYSA-N 1 2 400.552 2.172 20 0 HEADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nnc(C)cc4C)CC3)C2=O)cs1 ZINC001164826509 720364619 /nfs/dbraw/zinc/36/46/19/720364619.db2.gz WNARSYHMLQBZQF-UHFFFAOYSA-N 1 2 400.552 2.172 20 0 HEADLO Cc1nnc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)c2ccccc12 ZINC001164830747 720470164 /nfs/dbraw/zinc/47/01/64/720470164.db2.gz LRZPJLHALWPHIS-GOSISDBHSA-N 1 2 422.533 2.124 20 0 HEADLO O=c1cc(Cn2cc[nH+]c2)nc2n1CCCN(C(F)(F)Oc1cccc(Cl)n1)C2 ZINC001164860110 720895505 /nfs/dbraw/zinc/89/55/05/720895505.db2.gz SJRZUWZLBWRULU-UHFFFAOYSA-N 1 2 422.823 2.372 20 0 HEADLO NC(=O)c1ccc(C(F)(F)N2C[C@@H]3C[N@@H+](Cc4nccs4)C[C@@H]3C2)nc1Cl ZINC001164788402 721391535 /nfs/dbraw/zinc/39/15/35/721391535.db2.gz RMAHEZOVOMAYIC-PHIMTYICSA-N 1 2 413.881 2.404 20 0 HEADLO NC(=O)c1ccc(C(F)(F)N2C[C@@H]3C[N@H+](Cc4nccs4)C[C@@H]3C2)nc1Cl ZINC001164788402 721391540 /nfs/dbraw/zinc/39/15/40/721391540.db2.gz RMAHEZOVOMAYIC-PHIMTYICSA-N 1 2 413.881 2.404 20 0 HEADLO COc1cc2cnc(N3CCn4cc(CN5CC[NH+](C)CC5)nc4C3)cc2cc1OC ZINC001164796445 721520111 /nfs/dbraw/zinc/52/01/11/721520111.db2.gz YRUHAGRKVKFHRE-UHFFFAOYSA-N 1 2 422.533 2.216 20 0 HEADLO Cc1nc(Cl)c(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nc1C ZINC001164914570 721783405 /nfs/dbraw/zinc/78/34/05/721783405.db2.gz FADNTLWLJVBKGO-FQEVSTJZSA-N 1 2 403.914 2.250 20 0 HEADLO Cc1nc(Cl)c(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nc1C ZINC001164914570 721783417 /nfs/dbraw/zinc/78/34/17/721783417.db2.gz FADNTLWLJVBKGO-FQEVSTJZSA-N 1 2 403.914 2.250 20 0 HEADLO COC(=O)c1cccc2nc(N3CCC4(CC3)c3[nH+]cc(C)n3CCN4C)ncc21 ZINC001164916840 721814244 /nfs/dbraw/zinc/81/42/44/721814244.db2.gz IGOSNFQCCUVPKY-UHFFFAOYSA-N 1 2 406.490 2.362 20 0 HEADLO CCOC(=O)c1cnc(Cl)nc1C(F)(F)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001165035236 721901509 /nfs/dbraw/zinc/90/15/09/721901509.db2.gz ACRNXTLXPOPCFT-GFCCVEGCSA-N 1 2 404.845 2.153 20 0 HEADLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1nccnc1OC1CCC1)CC2 ZINC001164950403 721980784 /nfs/dbraw/zinc/98/07/84/721980784.db2.gz SNRNXCUTLKPBEZ-UHFFFAOYSA-N 1 2 407.518 2.379 20 0 HEADLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1nccnc1OC1CCC1)CC2 ZINC001164950403 721980786 /nfs/dbraw/zinc/98/07/86/721980786.db2.gz SNRNXCUTLKPBEZ-UHFFFAOYSA-N 1 2 407.518 2.379 20 0 HEADLO CC(=O)N1CCC[C@@]2(C1)CN(c1ncnc3c1C[N@H+](Cc1ccccc1)CC3)CCO2 ZINC001164969061 722083336 /nfs/dbraw/zinc/08/33/36/722083336.db2.gz JOHZJXRPYBXPJE-XMMPIXPASA-N 1 2 421.545 2.253 20 0 HEADLO CC(=O)N1CCC[C@@]2(C1)CN(c1ncnc3c1C[N@@H+](Cc1ccccc1)CC3)CCO2 ZINC001164969061 722083337 /nfs/dbraw/zinc/08/33/37/722083337.db2.gz JOHZJXRPYBXPJE-XMMPIXPASA-N 1 2 421.545 2.253 20 0 HEADLO COCCCn1c(=O)c2ccc(C(=O)N[C@@H]3CCC[N@@H+](C(C)C)C3)cc2[nH]c1=S ZINC000769662903 1078502382 /nfs/dbraw/zinc/50/23/82/1078502382.db2.gz RMGVWPXBQBHEPM-MRXNPFEDSA-N 1 2 418.563 2.324 20 0 HEADLO COCCCn1c(=O)c2ccc(C(=O)N[C@@H]3CCC[N@H+](C(C)C)C3)cc2[nH]c1=S ZINC000769662903 1078502390 /nfs/dbraw/zinc/50/23/90/1078502390.db2.gz RMGVWPXBQBHEPM-MRXNPFEDSA-N 1 2 418.563 2.324 20 0 HEADLO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](Cc2nnnn2CC2CCOCC2)C1 ZINC000769752573 1078540869 /nfs/dbraw/zinc/54/08/69/1078540869.db2.gz AVLYOHIWTKWTRD-NVXWUHKLSA-N 1 2 408.547 2.225 20 0 HEADLO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+](Cc2nnnn2CC2CCOCC2)C1 ZINC000769752573 1078540879 /nfs/dbraw/zinc/54/08/79/1078540879.db2.gz AVLYOHIWTKWTRD-NVXWUHKLSA-N 1 2 408.547 2.225 20 0 HEADLO CN(C(=O)OC(C)(C)C)[C@H](C(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1)c1cnn(C)c1 ZINC000769769049 1078547436 /nfs/dbraw/zinc/54/74/36/1078547436.db2.gz FVDFMXDWDIBLRY-WBVHZDCISA-N 1 2 416.526 2.468 20 0 HEADLO CC(C)(C)OC(=O)N1CC(N2CC[NH+]([C@H]3CCCN(c4ccccc4)C3=O)CC2)C1 ZINC000769785298 1078564391 /nfs/dbraw/zinc/56/43/91/1078564391.db2.gz AAVMWOFSEIFEEJ-FQEVSTJZSA-N 1 2 414.550 2.419 20 0 HEADLO CN(C)c1cccc(C[N@H+](C)CN2C(=O)C(=O)N(CCc3cccs3)C2=O)c1 ZINC000769854064 1078576349 /nfs/dbraw/zinc/57/63/49/1078576349.db2.gz QOOVSMAUQXCVIX-UHFFFAOYSA-N 1 2 400.504 2.237 20 0 HEADLO CN(C)c1cccc(C[N@@H+](C)CN2C(=O)C(=O)N(CCc3cccs3)C2=O)c1 ZINC000769854064 1078576359 /nfs/dbraw/zinc/57/63/59/1078576359.db2.gz QOOVSMAUQXCVIX-UHFFFAOYSA-N 1 2 400.504 2.237 20 0 HEADLO CC(C)(CNC(=O)[C@H]1CCCN(C(=O)OCc2ccccc2)C1)[NH+]1CCOCC1 ZINC000766333561 1078594138 /nfs/dbraw/zinc/59/41/38/1078594138.db2.gz XUVHSSQKMDDMEE-IBGZPJMESA-N 1 2 403.523 2.262 20 0 HEADLO CCCn1c(CO)nn(CN2CC[NH+](Cc3cc(OC)cc(OC)c3)CC2)c1=S ZINC000769841440 1078602359 /nfs/dbraw/zinc/60/23/59/1078602359.db2.gz NHJADRHMLDZZRS-UHFFFAOYSA-N 1 2 421.567 2.109 20 0 HEADLO C[C@H]1CC[C@@H](CCC(=O)OCC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)O1 ZINC000745703743 1078609979 /nfs/dbraw/zinc/60/99/79/1078609979.db2.gz IVQLLITWTQUFCI-PXNSSMCTSA-N 1 2 416.518 2.157 20 0 HEADLO C[C@@H]1C[N@H+](CCNC(=O)NC[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)CCO1 ZINC000745794276 1078650563 /nfs/dbraw/zinc/65/05/63/1078650563.db2.gz YGVQXMABUHSJNO-SJLPKXTDSA-N 1 2 406.527 2.272 20 0 HEADLO C[C@@H]1C[N@@H+](CCNC(=O)NC[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)CCO1 ZINC000745794276 1078650564 /nfs/dbraw/zinc/65/05/64/1078650564.db2.gz YGVQXMABUHSJNO-SJLPKXTDSA-N 1 2 406.527 2.272 20 0 HEADLO Cn1ccnc1[C@@H](O)[C@H]1CCCN(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC000769970508 1078659993 /nfs/dbraw/zinc/65/99/93/1078659993.db2.gz SVBLSSZTXYUTRR-ICSRJNTNSA-N 1 2 412.538 2.461 20 0 HEADLO Cc1cc([C@@](C)(O)CNC(=O)N[C@H](Cc2ccccc2)C[NH+]2CCOCC2)c(C)o1 ZINC000745816357 1078658848 /nfs/dbraw/zinc/65/88/48/1078658848.db2.gz XQESSXYBPDLMFR-OFNKIYASSA-N 1 2 415.534 2.347 20 0 HEADLO COC(=O)/C=C1\SCC(=O)N1CCCN1CC[NH+]([C@@H](C)c2cccc(F)c2)CC1 ZINC000769929778 1078662863 /nfs/dbraw/zinc/66/28/63/1078662863.db2.gz ZIHKDNNGWHXVAO-IEOAWGNMSA-N 1 2 421.538 2.484 20 0 HEADLO CN(C)c1ccc([NH+]2CCC(NC(=O)NC[C@H](O)COc3ccccc3)CC2)cc1 ZINC000745868244 1078667938 /nfs/dbraw/zinc/66/79/38/1078667938.db2.gz ORSJHTHTBRAJKW-NRFANRHFSA-N 1 2 412.534 2.461 20 0 HEADLO C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)c3cccc4[nH+]ccn43)cc2)C[C@H](C)O1 ZINC000770054542 1078707237 /nfs/dbraw/zinc/70/72/37/1078707237.db2.gz BNCWQLDGEVHXON-GASCZTMLSA-N 1 2 414.487 2.385 20 0 HEADLO CC(C)(C)OC(=O)N1CC(CC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000746014441 1078733971 /nfs/dbraw/zinc/73/39/71/1078733971.db2.gz FRNBWNCUXCRGHQ-IBGZPJMESA-N 1 2 403.523 2.261 20 0 HEADLO CC(C)(C)OC(=O)N1CC(CC(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000746014441 1078733981 /nfs/dbraw/zinc/73/39/81/1078733981.db2.gz FRNBWNCUXCRGHQ-IBGZPJMESA-N 1 2 403.523 2.261 20 0 HEADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)NC[C@@H](O)c2ccc(F)cc2)CC1 ZINC000770127182 1078740990 /nfs/dbraw/zinc/74/09/90/1078740990.db2.gz BULFXCWFOGLBGV-LJQANCHMSA-N 1 2 400.454 2.068 20 0 HEADLO CCOC1CC(CNC(=O)Nc2ccc(NC(C)=O)c(C)c2)([NH+]2CCOCC2)C1 ZINC000770133028 1078743188 /nfs/dbraw/zinc/74/31/88/1078743188.db2.gz BNSLSULLGGDWQS-UHFFFAOYSA-N 1 2 404.511 2.345 20 0 HEADLO Cc1ccc(N2CC[C@H](NC(=O)Nc3ccc(N4CCOCC4)[nH+]c3C)C2=O)cc1 ZINC000770259767 1078793321 /nfs/dbraw/zinc/79/33/21/1078793321.db2.gz JAOHZKSWCVMTPZ-IBGZPJMESA-N 1 2 409.490 2.462 20 0 HEADLO CCOC1CC(CNC(=O)Nc2ccc(N(C)C(=O)OC)cc2)([NH+]2CCOCC2)C1 ZINC000770265463 1078798066 /nfs/dbraw/zinc/79/80/66/1078798066.db2.gz LWQQFDQKYWAXMY-UHFFFAOYSA-N 1 2 420.510 2.281 20 0 HEADLO C[C@@H](c1ccco1)[N@H+](C)CC(=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1 ZINC000746124664 1078798146 /nfs/dbraw/zinc/79/81/46/1078798146.db2.gz QTFPBCJHWLNNOV-AWEZNQCLSA-N 1 2 404.492 2.382 20 0 HEADLO C[C@@H](c1ccco1)[N@@H+](C)CC(=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1 ZINC000746124664 1078798154 /nfs/dbraw/zinc/79/81/54/1078798154.db2.gz QTFPBCJHWLNNOV-AWEZNQCLSA-N 1 2 404.492 2.382 20 0 HEADLO COC(=O)c1cc(F)c(Br)c(S(=O)(=O)N2CC[N@H+](C)[C@H](C)[C@H]2C)c1 ZINC000770270277 1078801292 /nfs/dbraw/zinc/80/12/92/1078801292.db2.gz SQLPGFQJQNSVDK-NXEZZACHSA-N 1 2 423.304 2.088 20 0 HEADLO COC(=O)c1cc(F)c(Br)c(S(=O)(=O)N2CC[N@@H+](C)[C@H](C)[C@H]2C)c1 ZINC000770270277 1078801294 /nfs/dbraw/zinc/80/12/94/1078801294.db2.gz SQLPGFQJQNSVDK-NXEZZACHSA-N 1 2 423.304 2.088 20 0 HEADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N1CCC(OC[C@H]2CCCO2)CC1 ZINC000770276216 1078803778 /nfs/dbraw/zinc/80/37/78/1078803778.db2.gz QQDPRFRGEVKSHC-GOSISDBHSA-N 1 2 404.511 2.419 20 0 HEADLO C[C@@H](NC(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1)c1cccc(NS(C)(=O)=O)c1 ZINC000770278386 1078804811 /nfs/dbraw/zinc/80/48/11/1078804811.db2.gz DQKZFGOWLJSCDT-GDBMZVCRSA-N 1 2 405.524 2.442 20 0 HEADLO CCc1ccc(N(CC)CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)cc1 ZINC000746169036 1078814478 /nfs/dbraw/zinc/81/44/78/1078814478.db2.gz TXGDCASTGUYGQF-UHFFFAOYSA-N 1 2 407.522 2.101 20 0 HEADLO CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCN(CC(=O)Nc3ccccc3F)CC2)C1 ZINC000770378226 1078833790 /nfs/dbraw/zinc/83/37/90/1078833790.db2.gz FQNWGAYZOVPJNN-INIZCTEOSA-N 1 2 406.502 2.391 20 0 HEADLO C[N@H+](CC(F)F)C1CCN(C(=O)CCNS(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000746319766 1078856978 /nfs/dbraw/zinc/85/69/78/1078856978.db2.gz KPDCHGMRNPSQAW-UHFFFAOYSA-N 1 2 423.913 2.196 20 0 HEADLO C[N@@H+](CC(F)F)C1CCN(C(=O)CCNS(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000746319766 1078856980 /nfs/dbraw/zinc/85/69/80/1078856980.db2.gz KPDCHGMRNPSQAW-UHFFFAOYSA-N 1 2 423.913 2.196 20 0 HEADLO C[N@H+](CC(F)F)C1CCN(C(=O)CCNC(=O)N2CCc3ccccc3C2)CC1 ZINC000746321065 1078857221 /nfs/dbraw/zinc/85/72/21/1078857221.db2.gz MRTCWOAYFOZMQG-UHFFFAOYSA-N 1 2 408.493 2.332 20 0 HEADLO C[N@@H+](CC(F)F)C1CCN(C(=O)CCNC(=O)N2CCc3ccccc3C2)CC1 ZINC000746321065 1078857226 /nfs/dbraw/zinc/85/72/26/1078857226.db2.gz MRTCWOAYFOZMQG-UHFFFAOYSA-N 1 2 408.493 2.332 20 0 HEADLO COc1ccc([C@@H]2[C@H](C(=O)N3CCC([N@H+](C)CC(F)F)CC3)CC(=O)N2C)cc1 ZINC000746320029 1078857300 /nfs/dbraw/zinc/85/73/00/1078857300.db2.gz KRWYEHDQUSNXGR-YLJYHZDGSA-N 1 2 409.477 2.403 20 0 HEADLO COc1ccc([C@@H]2[C@H](C(=O)N3CCC([N@@H+](C)CC(F)F)CC3)CC(=O)N2C)cc1 ZINC000746320029 1078857303 /nfs/dbraw/zinc/85/73/03/1078857303.db2.gz KRWYEHDQUSNXGR-YLJYHZDGSA-N 1 2 409.477 2.403 20 0 HEADLO C[N@H+](CC(F)F)C1CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000746321941 1078858080 /nfs/dbraw/zinc/85/80/80/1078858080.db2.gz AYYWRPALDMYXRQ-INIZCTEOSA-N 1 2 423.460 2.208 20 0 HEADLO C[N@@H+](CC(F)F)C1CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000746321941 1078858083 /nfs/dbraw/zinc/85/80/83/1078858083.db2.gz AYYWRPALDMYXRQ-INIZCTEOSA-N 1 2 423.460 2.208 20 0 HEADLO CN(CC(=O)N1CCC([N@H+](C)CC(F)F)CC1)C(=O)c1ccc(Br)o1 ZINC000746324747 1078859099 /nfs/dbraw/zinc/85/90/99/1078859099.db2.gz QCUWBDYVPFIXGP-UHFFFAOYSA-N 1 2 422.270 2.302 20 0 HEADLO CN(CC(=O)N1CCC([N@@H+](C)CC(F)F)CC1)C(=O)c1ccc(Br)o1 ZINC000746324747 1078859104 /nfs/dbraw/zinc/85/91/04/1078859104.db2.gz QCUWBDYVPFIXGP-UHFFFAOYSA-N 1 2 422.270 2.302 20 0 HEADLO Cc1nnc(-c2cccc(NC(=O)C(=O)N[C@@H](Cn3cc[nH+]c3)C(C)(C)C)c2)n1C ZINC000746355144 1078871531 /nfs/dbraw/zinc/87/15/31/1078871531.db2.gz SQNQPCWMLRJYPF-KRWDZBQOSA-N 1 2 409.494 2.157 20 0 HEADLO CC(C)OCC[NH+]1CCN(C(=O)c2csc(CNC(=O)OC(C)(C)C)n2)CC1 ZINC000746345243 1078867467 /nfs/dbraw/zinc/86/74/67/1078867467.db2.gz MVPFTBIFBWOEMQ-UHFFFAOYSA-N 1 2 412.556 2.351 20 0 HEADLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)C(=O)Nc1ccc(Br)nc1 ZINC000766347307 1078891924 /nfs/dbraw/zinc/89/19/24/1078891924.db2.gz YXUITJBPNJXKIX-UHFFFAOYSA-N 1 2 418.295 2.484 20 0 HEADLO CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)[C@@H](C)[N@@H+]1C[C@H](O)C[C@H]1CO ZINC000770667463 1078925383 /nfs/dbraw/zinc/92/53/83/1078925383.db2.gz FEHKMTLIQBDORA-VNQPRFMTSA-N 1 2 418.515 2.346 20 0 HEADLO CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)[C@@H](C)[N@H+]1C[C@H](O)C[C@H]1CO ZINC000770667463 1078925387 /nfs/dbraw/zinc/92/53/87/1078925387.db2.gz FEHKMTLIQBDORA-VNQPRFMTSA-N 1 2 418.515 2.346 20 0 HEADLO O=C(OCc1ccccc1)N1CCC[C@H](C(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)C1 ZINC000766415978 1078960452 /nfs/dbraw/zinc/96/04/52/1078960452.db2.gz ZVKHMHQOFQVXGB-LEWJYISDSA-N 1 2 415.534 2.358 20 0 HEADLO CC(C)[C@H](CNC(=O)CN(C)c1ccc(C(F)(F)F)cc1C=O)[NH+]1CCOCC1 ZINC000746450461 1078975399 /nfs/dbraw/zinc/97/53/99/1078975399.db2.gz UIVQIJVUXDWVSZ-SFHVURJKSA-N 1 2 415.456 2.427 20 0 HEADLO Cc1cccc(C2=CCN(C(=O)NC3CC[NH+](CCS(C)(=O)=O)CC3)CC2)c1 ZINC000770769962 1078988800 /nfs/dbraw/zinc/98/88/00/1078988800.db2.gz CVPOUNFSRRGXKS-UHFFFAOYSA-N 1 2 405.564 2.303 20 0 HEADLO CCOC1CC(CNC(=O)Nc2cccc(Br)n2)([NH+]2CCOCC2)C1 ZINC000770741097 1078998777 /nfs/dbraw/zinc/99/87/77/1078998777.db2.gz QMKOIIFYXUSUEW-UHFFFAOYSA-N 1 2 413.316 2.236 20 0 HEADLO CN(C)c1ccc([NH+]2CCC(NC(=O)C(=O)Nc3cnn(C)c3C3CC3)CC2)cc1 ZINC000770740834 1078999340 /nfs/dbraw/zinc/99/93/40/1078999340.db2.gz AKGYRNDMBLKZRQ-UHFFFAOYSA-N 1 2 410.522 2.087 20 0 HEADLO Cc1ccc(NC(=O)C(=O)N2CCC(O)(Cc3cccc(F)c3)CC2)c(N(C)C)[nH+]1 ZINC000770804434 1079025721 /nfs/dbraw/zinc/02/57/21/1079025721.db2.gz VZXCVWMXOJVVKR-UHFFFAOYSA-N 1 2 414.481 2.130 20 0 HEADLO CC[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCCOc1ccc(F)cc1 ZINC001109738244 1079034557 /nfs/dbraw/zinc/03/45/57/1079034557.db2.gz HKMMPANBJJUPIK-ZTTMTSROSA-N 1 2 403.498 2.088 20 0 HEADLO CC[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCCOc1ccc(F)cc1 ZINC001109738244 1079034568 /nfs/dbraw/zinc/03/45/68/1079034568.db2.gz HKMMPANBJJUPIK-ZTTMTSROSA-N 1 2 403.498 2.088 20 0 HEADLO Cc1ccc2c(c1)c(=O)n(C)c1nnc(CN3CCC([N@H+](C)CC(F)F)CC3)n12 ZINC000746482859 1079041333 /nfs/dbraw/zinc/04/13/33/1079041333.db2.gz SNBPQDVRDTVFSA-UHFFFAOYSA-N 1 2 404.465 2.051 20 0 HEADLO Cc1ccc2c(c1)c(=O)n(C)c1nnc(CN3CCC([N@@H+](C)CC(F)F)CC3)n12 ZINC000746482859 1079041337 /nfs/dbraw/zinc/04/13/37/1079041337.db2.gz SNBPQDVRDTVFSA-UHFFFAOYSA-N 1 2 404.465 2.051 20 0 HEADLO COc1ccc(CN2CC[C@H]([N@@H+]3CCN(C(=O)OC(C)(C)C)C(=O)C3)CC2=O)cc1 ZINC001168945203 1079082906 /nfs/dbraw/zinc/08/29/06/1079082906.db2.gz UTZFOEVZNDVGFF-KRWDZBQOSA-N 1 2 417.506 2.266 20 0 HEADLO COc1ccc(CN2CC[C@H]([N@H+]3CCN(C(=O)OC(C)(C)C)C(=O)C3)CC2=O)cc1 ZINC001168945203 1079082921 /nfs/dbraw/zinc/08/29/21/1079082921.db2.gz UTZFOEVZNDVGFF-KRWDZBQOSA-N 1 2 417.506 2.266 20 0 HEADLO O=C(c1ccc(Cl)cc1NCC(F)(F)F)N1CCO[C@H](C[NH+]2CCOCC2)C1 ZINC001169001361 1079096145 /nfs/dbraw/zinc/09/61/45/1079096145.db2.gz ANYUCFSGRQTGLX-CQSZACIVSA-N 1 2 421.847 2.487 20 0 HEADLO C[C@@H](C(=O)N1CCO[C@@H](C[NH+]2CCOCC2)C1)c1ccc(Br)s1 ZINC001169001764 1079096494 /nfs/dbraw/zinc/09/64/94/1079096494.db2.gz GVIYACNJIJLQCK-OLZOCXBDSA-N 1 2 403.342 2.174 20 0 HEADLO CCCOc1ccc(C(=O)N2CCO[C@@H](C[NH+]3CCOCC3)C2)cc1OCCC ZINC001168990930 1079101837 /nfs/dbraw/zinc/10/18/37/1079101837.db2.gz JLLRIUUCHHYSGY-IBGZPJMESA-N 1 2 406.523 2.437 20 0 HEADLO COC[C@@H]([NH2+][C@@H](C)C(=O)Nc1cc(C(=O)OC)ccc1C(=O)OC)c1ccc(C)o1 ZINC001169101449 1079129655 /nfs/dbraw/zinc/12/96/55/1079129655.db2.gz CDEOECLCFFZBRB-SUMWQHHRSA-N 1 2 418.446 2.466 20 0 HEADLO C[C@@H]1C[N@H+](C[C@H](O)c2cccc(Br)c2)CCN1c1nccn2cnnc12 ZINC000771120999 1079142144 /nfs/dbraw/zinc/14/21/44/1079142144.db2.gz NTAJGILFZOGMGR-CJNGLKHVSA-N 1 2 417.311 2.131 20 0 HEADLO C[C@@H]1C[N@@H+](C[C@H](O)c2cccc(Br)c2)CCN1c1nccn2cnnc12 ZINC000771120999 1079142150 /nfs/dbraw/zinc/14/21/50/1079142150.db2.gz NTAJGILFZOGMGR-CJNGLKHVSA-N 1 2 417.311 2.131 20 0 HEADLO CCCN(CCNC(=O)C(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1)C(=O)OC(C)(C)C ZINC000804309886 1079165280 /nfs/dbraw/zinc/16/52/80/1079165280.db2.gz PDXKGJJHWUBPJP-DLBZAZTESA-N 1 2 421.542 2.056 20 0 HEADLO CNC(=O)CC1CC[NH+](CN2C(=O)NC3(CCC(c4ccccc4)CC3)C2=O)CC1 ZINC000746385309 1079185671 /nfs/dbraw/zinc/18/56/71/1079185671.db2.gz ZYWKPHRHRNMNPZ-UHFFFAOYSA-N 1 2 412.534 2.440 20 0 HEADLO COc1ccc(OC)c([C@H](O)CNC(=O)CNc2ccc(F)c(-n3cc[nH+]c3)c2)c1 ZINC001169440935 1079291581 /nfs/dbraw/zinc/29/15/81/1079291581.db2.gz DKXOUKWZSCTMFO-LJQANCHMSA-N 1 2 414.437 2.290 20 0 HEADLO COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)Nc2ccc3[nH+]ccn3c2)C1=O ZINC000771337289 1079297060 /nfs/dbraw/zinc/29/70/60/1079297060.db2.gz NEPPEGWDBNDJHU-OAQYLSRUSA-N 1 2 407.430 2.057 20 0 HEADLO CCOC(=O)N1CC[C@H](NC(=O)N[C@H](c2ccc(Cl)cc2)[C@H]2C[N@H+](C)CCO2)C1 ZINC000771343955 1079298717 /nfs/dbraw/zinc/29/87/17/1079298717.db2.gz JPOKFRUQNHWUEV-RCCFBDPRSA-N 1 2 424.929 2.242 20 0 HEADLO CCOC(=O)N1CC[C@H](NC(=O)N[C@H](c2ccc(Cl)cc2)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000771343955 1079298723 /nfs/dbraw/zinc/29/87/23/1079298723.db2.gz JPOKFRUQNHWUEV-RCCFBDPRSA-N 1 2 424.929 2.242 20 0 HEADLO O=C(OCc1ccccc1)[C@@H]1CCC[NH2+][C@H](Nc2nccc(N3CCOCC3)n2)C1 ZINC001169503982 1079315936 /nfs/dbraw/zinc/31/59/36/1079315936.db2.gz MHBLCSXUOQDRKA-RTBURBONSA-N 1 2 411.506 2.184 20 0 HEADLO C[C@H](O)CN1CC[N@H+](CCC(=O)Nc2ccc(Br)cc2F)[C@@H](C)C1 ZINC001169540907 1079326172 /nfs/dbraw/zinc/32/61/72/1079326172.db2.gz SCSRSUYSCMDXIK-STQMWFEESA-N 1 2 402.308 2.304 20 0 HEADLO C[C@H](O)CN1CC[N@@H+](CCC(=O)Nc2ccc(Br)cc2F)[C@@H](C)C1 ZINC001169540907 1079326176 /nfs/dbraw/zinc/32/61/76/1079326176.db2.gz SCSRSUYSCMDXIK-STQMWFEESA-N 1 2 402.308 2.304 20 0 HEADLO CC(C)(C)NS(=O)(=O)c1cc(C(=O)N[C@H]2CCc3c[nH+]cn3C2)ccc1Cl ZINC000804333152 1079345502 /nfs/dbraw/zinc/34/55/02/1079345502.db2.gz GOGZCCVORSELEZ-ZDUSSCGKSA-N 1 2 410.927 2.358 20 0 HEADLO CCOc1ccc(C2N=NC(=S)N2CCC(=O)N[C@@H]2CCc3c[nH+]cn3C2)cc1 ZINC000804333590 1079365974 /nfs/dbraw/zinc/36/59/74/1079365974.db2.gz MUDYYPVYUXMNKQ-OAHLLOKOSA-N 1 2 412.519 2.350 20 0 HEADLO CCOC(=O)C[N@H+](CCNC(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)OCC)CC1 ZINC001169703227 1079380082 /nfs/dbraw/zinc/38/00/82/1079380082.db2.gz LCAGEPPEKKVCGH-MRXNPFEDSA-N 1 2 415.531 2.387 20 0 HEADLO CCOC(=O)C[N@@H+](CCNC(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)OCC)CC1 ZINC001169703227 1079380085 /nfs/dbraw/zinc/38/00/85/1079380085.db2.gz LCAGEPPEKKVCGH-MRXNPFEDSA-N 1 2 415.531 2.387 20 0 HEADLO O=C(OCc1ccccc1)N1CCCC[C@@H]1C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000771561107 1079385809 /nfs/dbraw/zinc/38/58/09/1079385809.db2.gz OAUYOAMGKQCVMQ-VQTJNVASSA-N 1 2 401.507 2.111 20 0 HEADLO CCO[C@@H]1C[C@](NC(=O)OC(C)(C)C)(C(=O)N[C@H]2CCc3c[nH+]cn3C2)C1(C)C ZINC000804338426 1079395430 /nfs/dbraw/zinc/39/54/30/1079395430.db2.gz PUBRKINKJUMEIK-PXARDIRTSA-N 1 2 406.527 2.413 20 0 HEADLO O=C(c1ccccc1)N1CCC[C@@H]([N@H+]2Cc3nccn3C[C@@H](CN3CCCC3=O)C2)C1 ZINC001169768673 1079402029 /nfs/dbraw/zinc/40/20/29/1079402029.db2.gz AATPJCLZZSCEAJ-PZJWPPBQSA-N 1 2 421.545 2.242 20 0 HEADLO O=C(c1ccccc1)N1CCC[C@@H]([N@@H+]2Cc3nccn3C[C@@H](CN3CCCC3=O)C2)C1 ZINC001169768673 1079402046 /nfs/dbraw/zinc/40/20/46/1079402046.db2.gz AATPJCLZZSCEAJ-PZJWPPBQSA-N 1 2 421.545 2.242 20 0 HEADLO NC(=O)COc1ccc(Cl)cc1S(=O)(=O)Oc1cccc(-n2cc[nH+]c2)c1 ZINC000766816197 1079408084 /nfs/dbraw/zinc/40/80/84/1079408084.db2.gz JFUMPNAUSKMDNI-UHFFFAOYSA-N 1 2 407.835 2.158 20 0 HEADLO Cc1ccccc1[C@H]1CC(=O)N(C[NH+]2CCC(Oc3ccnc(C(N)=O)c3)CC2)C1 ZINC000771623639 1079408487 /nfs/dbraw/zinc/40/84/87/1079408487.db2.gz GYBCJAJXHUUXCG-KRWDZBQOSA-N 1 2 408.502 2.306 20 0 HEADLO COC(=O)C(C)(C)[C@@H]1CCC[N@H+](CN2C(=O)N[C@@]3(CC(C)(C)OC3(C)C)C2=O)C1 ZINC000771632087 1079440353 /nfs/dbraw/zinc/44/03/53/1079440353.db2.gz PIYKVBSAOOWIQG-SZNDQCEHSA-N 1 2 409.527 2.123 20 0 HEADLO COC(=O)C(C)(C)[C@@H]1CCC[N@@H+](CN2C(=O)N[C@@]3(CC(C)(C)OC3(C)C)C2=O)C1 ZINC000771632087 1079440354 /nfs/dbraw/zinc/44/03/54/1079440354.db2.gz PIYKVBSAOOWIQG-SZNDQCEHSA-N 1 2 409.527 2.123 20 0 HEADLO COc1cccc(OCC[NH+]2CCN(C(=O)NC3CCC4(CC3)OCCO4)CC2)c1 ZINC000766864575 1079454700 /nfs/dbraw/zinc/45/47/00/1079454700.db2.gz ULHWRUHCNYHSCA-UHFFFAOYSA-N 1 2 419.522 2.087 20 0 HEADLO CC(C)c1nnnn1CC(=O)N1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000746510531 1079455639 /nfs/dbraw/zinc/45/56/39/1079455639.db2.gz BGELEAKPYFEOTE-UHFFFAOYSA-N 1 2 412.416 2.040 20 0 HEADLO O=C(C[N@@H+]1CCC[C@@H](c2n[nH]c(=O)o2)C1)NCc1cccc(OCC(F)(F)F)c1 ZINC001169864770 1079462410 /nfs/dbraw/zinc/46/24/10/1079462410.db2.gz UJMHUAVPZZIJPY-CYBMUJFWSA-N 1 2 414.384 2.212 20 0 HEADLO O=C(C[N@H+]1CCC[C@@H](c2n[nH]c(=O)o2)C1)NCc1cccc(OCC(F)(F)F)c1 ZINC001169864770 1079462415 /nfs/dbraw/zinc/46/24/15/1079462415.db2.gz UJMHUAVPZZIJPY-CYBMUJFWSA-N 1 2 414.384 2.212 20 0 HEADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)c1cccc(NS(C)(=O)=O)c1 ZINC000737936063 1075940284 /nfs/dbraw/zinc/94/02/84/1075940284.db2.gz MYJJHMTXYJVGPP-UHFFFAOYSA-N 1 2 403.504 2.451 20 0 HEADLO CC[C@]1(C(C)C)NC(=O)N(C[NH+]2CCC(C(=O)Nc3ccc(C)cn3)CC2)C1=O ZINC000738028432 1075954170 /nfs/dbraw/zinc/95/41/70/1075954170.db2.gz HNZMZFWQPQCBSD-OAQYLSRUSA-N 1 2 401.511 2.355 20 0 HEADLO C[N@H+](CCN1CCN(C(=O)OC(C)(C)C)CC1)CC(=O)Nc1cccnc1Cl ZINC000738326536 1075981031 /nfs/dbraw/zinc/98/10/31/1075981031.db2.gz NZRFVJMFOMIKDW-UHFFFAOYSA-N 1 2 411.934 2.158 20 0 HEADLO C[N@@H+](CCN1CCN(C(=O)OC(C)(C)C)CC1)CC(=O)Nc1cccnc1Cl ZINC000738326536 1075981034 /nfs/dbraw/zinc/98/10/34/1075981034.db2.gz NZRFVJMFOMIKDW-UHFFFAOYSA-N 1 2 411.934 2.158 20 0 HEADLO COc1ccc(C)cc1NC(=O)C[N@H+](C)CCN1CCN(C(=O)OC(C)(C)C)CC1 ZINC000738326739 1075981081 /nfs/dbraw/zinc/98/10/81/1075981081.db2.gz QVYAVUCDAXDTKN-UHFFFAOYSA-N 1 2 420.554 2.427 20 0 HEADLO COc1ccc(C)cc1NC(=O)C[N@@H+](C)CCN1CCN(C(=O)OC(C)(C)C)CC1 ZINC000738326739 1075981084 /nfs/dbraw/zinc/98/10/84/1075981084.db2.gz QVYAVUCDAXDTKN-UHFFFAOYSA-N 1 2 420.554 2.427 20 0 HEADLO CCc1ccc(CN2CC[NH+](CCCN3C(=O)CS/C3=C/C(=O)OC)CC2)s1 ZINC000738332862 1075983475 /nfs/dbraw/zinc/98/34/75/1075983475.db2.gz QLYTXENRRKSLBI-CPNJWEJPSA-N 1 2 423.604 2.408 20 0 HEADLO COc1ccccc1[C@@H]1CC[N@H+](CC(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)C1 ZINC000738339150 1075983895 /nfs/dbraw/zinc/98/38/95/1075983895.db2.gz GTPPMVARIAQYPH-JXORXQGFSA-N 1 2 414.506 2.016 20 0 HEADLO COc1ccccc1[C@@H]1CC[N@@H+](CC(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)C1 ZINC000738339150 1075983902 /nfs/dbraw/zinc/98/39/02/1075983902.db2.gz GTPPMVARIAQYPH-JXORXQGFSA-N 1 2 414.506 2.016 20 0 HEADLO CC(=O)c1ccc(N2CCN(C(=O)C[N@@H+]3CCc4ccc(O)cc4C3)CC2)c(F)c1 ZINC000738323581 1075990075 /nfs/dbraw/zinc/99/00/75/1075990075.db2.gz IYDLBWOIPXQUHE-UHFFFAOYSA-N 1 2 411.477 2.441 20 0 HEADLO CC(=O)c1ccc(N2CCN(C(=O)C[N@H+]3CCc4ccc(O)cc4C3)CC2)c(F)c1 ZINC000738323581 1075990078 /nfs/dbraw/zinc/99/00/78/1075990078.db2.gz IYDLBWOIPXQUHE-UHFFFAOYSA-N 1 2 411.477 2.441 20 0 HEADLO C[C@@H]1CCN(S(=O)(=O)CCNC(=O)OCc2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000771779920 1079502112 /nfs/dbraw/zinc/50/21/12/1079502112.db2.gz JMDJBEFGGXKNMM-AEFFLSMTSA-N 1 2 406.508 2.022 20 0 HEADLO CCC[N@H+](Cn1nc(C(=O)OC)ccc1=O)C1CCN(C(=O)c2ccccc2)CC1 ZINC000739852015 1076082472 /nfs/dbraw/zinc/08/24/72/1076082472.db2.gz MRAMDABIAVLVML-UHFFFAOYSA-N 1 2 412.490 2.004 20 0 HEADLO CCC[N@@H+](Cn1nc(C(=O)OC)ccc1=O)C1CCN(C(=O)c2ccccc2)CC1 ZINC000739852015 1076082480 /nfs/dbraw/zinc/08/24/80/1076082480.db2.gz MRAMDABIAVLVML-UHFFFAOYSA-N 1 2 412.490 2.004 20 0 HEADLO CN(C1CCOCC1)S(=O)(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000739959818 1076088715 /nfs/dbraw/zinc/08/87/15/1076088715.db2.gz RRHJSBCTBSMTLB-INIZCTEOSA-N 1 2 419.950 2.389 20 0 HEADLO CN(C1CCOCC1)S(=O)(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000739959818 1076088723 /nfs/dbraw/zinc/08/87/23/1076088723.db2.gz RRHJSBCTBSMTLB-INIZCTEOSA-N 1 2 419.950 2.389 20 0 HEADLO C[C@](O)(CNC(=O)NCc1ccccc1OCC[NH+]1CCOCC1)c1cccs1 ZINC000740040166 1076098300 /nfs/dbraw/zinc/09/83/00/1076098300.db2.gz YMEBULWJBBQLEE-NRFANRHFSA-N 1 2 419.547 2.166 20 0 HEADLO COC(=O)N1CCC(NC(=O)N[C@H](c2ccc(Cl)cc2)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000766247162 1076144834 /nfs/dbraw/zinc/14/48/34/1076144834.db2.gz CDWMENNNXCAIDT-QZTJIDSGSA-N 1 2 424.929 2.242 20 0 HEADLO COC(=O)N1CCC(NC(=O)N[C@H](c2ccc(Cl)cc2)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000766247162 1076144844 /nfs/dbraw/zinc/14/48/44/1076144844.db2.gz CDWMENNNXCAIDT-QZTJIDSGSA-N 1 2 424.929 2.242 20 0 HEADLO COC(=O)N1CCC(NC(=O)N[C@@H](c2ccc(Cl)cc2)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000766247161 1076144934 /nfs/dbraw/zinc/14/49/34/1076144934.db2.gz CDWMENNNXCAIDT-MSOLQXFVSA-N 1 2 424.929 2.242 20 0 HEADLO COC(=O)N1CCC(NC(=O)N[C@@H](c2ccc(Cl)cc2)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000766247161 1076144940 /nfs/dbraw/zinc/14/49/40/1076144940.db2.gz CDWMENNNXCAIDT-MSOLQXFVSA-N 1 2 424.929 2.242 20 0 HEADLO COC(=O)N1CCC[C@H](NC(=O)N[C@@H](c2ccc(Cl)cc2)[C@H]2C[N@H+](C)CCO2)C1 ZINC000766253987 1076157198 /nfs/dbraw/zinc/15/71/98/1076157198.db2.gz YZUBCPAVGHKQNL-KSZLIROESA-N 1 2 424.929 2.242 20 0 HEADLO COC(=O)N1CCC[C@H](NC(=O)N[C@@H](c2ccc(Cl)cc2)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000766253987 1076157203 /nfs/dbraw/zinc/15/72/03/1076157203.db2.gz YZUBCPAVGHKQNL-KSZLIROESA-N 1 2 424.929 2.242 20 0 HEADLO Cc1cc(=O)oc2cc(OCC[N@H+](C[C@@H]3CCCO3)[C@@H]3CCS(=O)(=O)C3)ccc12 ZINC000740877404 1076278521 /nfs/dbraw/zinc/27/85/21/1076278521.db2.gz FYCCOBQDRLNKQG-AEFFLSMTSA-N 1 2 421.515 2.148 20 0 HEADLO Cc1cc(=O)oc2cc(OCC[N@@H+](C[C@@H]3CCCO3)[C@@H]3CCS(=O)(=O)C3)ccc12 ZINC000740877404 1076278532 /nfs/dbraw/zinc/27/85/32/1076278532.db2.gz FYCCOBQDRLNKQG-AEFFLSMTSA-N 1 2 421.515 2.148 20 0 HEADLO C[C@H](CNS(=O)(=O)c1ccc(N2CCOC2=O)cc1)[N@@H+]1CCc2sccc2C1 ZINC000740889835 1076291157 /nfs/dbraw/zinc/29/11/57/1076291157.db2.gz LVRUATHWIIOGFN-CQSZACIVSA-N 1 2 421.544 2.430 20 0 HEADLO C[C@H](CNS(=O)(=O)c1ccc(N2CCOC2=O)cc1)[N@H+]1CCc2sccc2C1 ZINC000740889835 1076291159 /nfs/dbraw/zinc/29/11/59/1076291159.db2.gz LVRUATHWIIOGFN-CQSZACIVSA-N 1 2 421.544 2.430 20 0 HEADLO C[C@H](C(=O)NC[C@H](O)c1c(F)cccc1F)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000740935900 1076315283 /nfs/dbraw/zinc/31/52/83/1076315283.db2.gz QIHOWENKBIINQS-KUHUBIRLSA-N 1 2 407.436 2.464 20 0 HEADLO O=C(N[C@H](CCO)c1cccs1)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000741086254 1076349994 /nfs/dbraw/zinc/34/99/94/1076349994.db2.gz LADCNSMUDKKOKF-RBUKOAKNSA-N 1 2 403.548 2.414 20 0 HEADLO Cc1occc1-c1cc(NC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)n(CCO)n1 ZINC000741184793 1076399305 /nfs/dbraw/zinc/39/93/05/1076399305.db2.gz OJGIQZCQMYSRDL-HXUWFJFHSA-N 1 2 410.474 2.283 20 0 HEADLO Cc1occc1-c1cc(NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)n(CCO)n1 ZINC000741184793 1076399307 /nfs/dbraw/zinc/39/93/07/1076399307.db2.gz OJGIQZCQMYSRDL-HXUWFJFHSA-N 1 2 410.474 2.283 20 0 HEADLO CCOC(=O)[C@H]1C[N@H+](CCC(=O)Nc2c(C)nn(-c3ccccc3)c2C)CCO1 ZINC000741247688 1076435366 /nfs/dbraw/zinc/43/53/66/1076435366.db2.gz LMQXKBWEGMUUPY-GOSISDBHSA-N 1 2 400.479 2.082 20 0 HEADLO CCOC(=O)[C@H]1C[N@@H+](CCC(=O)Nc2c(C)nn(-c3ccccc3)c2C)CCO1 ZINC000741247688 1076435369 /nfs/dbraw/zinc/43/53/69/1076435369.db2.gz LMQXKBWEGMUUPY-GOSISDBHSA-N 1 2 400.479 2.082 20 0 HEADLO O=C(COC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1)Nc1ccc2c(c1)OCO2 ZINC000741345161 1076488176 /nfs/dbraw/zinc/48/81/76/1076488176.db2.gz CPMXYACNXCYHDD-SFHVURJKSA-N 1 2 412.442 2.188 20 0 HEADLO O=C(COC(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1)Nc1ccc2c(c1)OCO2 ZINC000741345161 1076488177 /nfs/dbraw/zinc/48/81/77/1076488177.db2.gz CPMXYACNXCYHDD-SFHVURJKSA-N 1 2 412.442 2.188 20 0 HEADLO O=C(COC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1)NCc1ccc(F)cc1 ZINC000741353778 1076493158 /nfs/dbraw/zinc/49/31/58/1076493158.db2.gz JSIHHUUZJITGQS-FQEVSTJZSA-N 1 2 400.450 2.276 20 0 HEADLO O=C(COC(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1)NCc1ccc(F)cc1 ZINC000741353778 1076493160 /nfs/dbraw/zinc/49/31/60/1076493160.db2.gz JSIHHUUZJITGQS-FQEVSTJZSA-N 1 2 400.450 2.276 20 0 HEADLO Cc1csc2nc(COC(=O)C[C@@H]3C[N@H+](Cc4ccccc4)CCO3)cc(=O)n12 ZINC000741356933 1076494561 /nfs/dbraw/zinc/49/45/61/1076494561.db2.gz SDTJLADXARFMSL-GOSISDBHSA-N 1 2 413.499 2.399 20 0 HEADLO Cc1csc2nc(COC(=O)C[C@@H]3C[N@@H+](Cc4ccccc4)CCO3)cc(=O)n12 ZINC000741356933 1076494569 /nfs/dbraw/zinc/49/45/69/1076494569.db2.gz SDTJLADXARFMSL-GOSISDBHSA-N 1 2 413.499 2.399 20 0 HEADLO O=C(COC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1)NCc1cc(F)cc(F)c1 ZINC000741386926 1076495135 /nfs/dbraw/zinc/49/51/35/1076495135.db2.gz XSUDOLRHDYEGTL-LJQANCHMSA-N 1 2 404.413 2.025 20 0 HEADLO O=C(COC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1)NCc1cc(F)cc(F)c1 ZINC000741386926 1076495142 /nfs/dbraw/zinc/49/51/42/1076495142.db2.gz XSUDOLRHDYEGTL-LJQANCHMSA-N 1 2 404.413 2.025 20 0 HEADLO C[C@H](OC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1)C(=O)N1CCc2sccc2C1 ZINC000741387701 1076496232 /nfs/dbraw/zinc/49/62/32/1076496232.db2.gz OXRBINZPRSYLMY-QFBILLFUSA-N 1 2 414.527 2.466 20 0 HEADLO C[C@H](OC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1)C(=O)N1CCc2sccc2C1 ZINC000741387701 1076496237 /nfs/dbraw/zinc/49/62/37/1076496237.db2.gz OXRBINZPRSYLMY-QFBILLFUSA-N 1 2 414.527 2.466 20 0 HEADLO CC(C)N(CC(F)(F)F)C(=O)COC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000741383079 1076506249 /nfs/dbraw/zinc/50/62/49/1076506249.db2.gz SKOBZSSCSNDZSZ-INIZCTEOSA-N 1 2 402.413 2.230 20 0 HEADLO CC(C)N(CC(F)(F)F)C(=O)COC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000741383079 1076506255 /nfs/dbraw/zinc/50/62/55/1076506255.db2.gz SKOBZSSCSNDZSZ-INIZCTEOSA-N 1 2 402.413 2.230 20 0 HEADLO COc1ccccc1CNC(=O)[C@H](C)OC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000741383188 1076506587 /nfs/dbraw/zinc/50/65/87/1076506587.db2.gz SLOHCYLTVXFRNL-UWJYYQICSA-N 1 2 412.486 2.144 20 0 HEADLO COc1ccccc1CNC(=O)[C@H](C)OC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000741383188 1076506591 /nfs/dbraw/zinc/50/65/91/1076506591.db2.gz SLOHCYLTVXFRNL-UWJYYQICSA-N 1 2 412.486 2.144 20 0 HEADLO C[C@@H](OC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1)C(=O)NCCc1ccc(F)cc1 ZINC000741384068 1076507329 /nfs/dbraw/zinc/50/73/29/1076507329.db2.gz BKMGSAAATQQODY-UTKZUKDTSA-N 1 2 414.477 2.317 20 0 HEADLO C[C@@H](OC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)C(=O)NCCc1ccc(F)cc1 ZINC000741384068 1076507333 /nfs/dbraw/zinc/50/73/33/1076507333.db2.gz BKMGSAAATQQODY-UTKZUKDTSA-N 1 2 414.477 2.317 20 0 HEADLO Cn1c(=O)c2ccc(C(=O)NCC3([NH+](C)C)Cc4ccccc4C3)cc2[nH]c1=S ZINC000741708504 1076600039 /nfs/dbraw/zinc/60/00/39/1076600039.db2.gz QLZNFRBAOATONX-UHFFFAOYSA-N 1 2 408.527 2.051 20 0 HEADLO Cc1cccc(C2(O)CC[NH+](CC(=O)Nc3ccc4c(c3)C(=O)N(C)C4=O)CC2)c1C ZINC000741808155 1076633816 /nfs/dbraw/zinc/63/38/16/1076633816.db2.gz GRAFMNAEKGNBHC-UHFFFAOYSA-N 1 2 421.497 2.451 20 0 HEADLO CN(C)c1ccc([NH+]2CCC(NC(=O)CN3C(=O)c4ccccc4C3=O)CC2)cc1 ZINC000741982455 1076702350 /nfs/dbraw/zinc/70/23/50/1076702350.db2.gz XUKADIAKIHUISW-UHFFFAOYSA-N 1 2 406.486 2.134 20 0 HEADLO Cc1ccc2ncc(C(=O)NC3CC[NH+](c4ccc(N(C)C)cc4)CC3)c(=O)n2c1 ZINC000741983209 1076703432 /nfs/dbraw/zinc/70/34/32/1076703432.db2.gz GBEGKKWDNSYYMI-UHFFFAOYSA-N 1 2 405.502 2.468 20 0 HEADLO CC[C@]1(c2ccc(OC)cc2)NC(=O)N(C[NH+]2CCC(OCCCOC)CC2)C1=O ZINC000742152060 1076767813 /nfs/dbraw/zinc/76/78/13/1076767813.db2.gz CQRLWLMHYABQNF-JOCHJYFZSA-N 1 2 419.522 2.327 20 0 HEADLO COc1ccc(C[C@@H]2CCC[N@H+](Cn3nc(CCC(N)=O)n(C)c3=S)C2)cc1 ZINC000742155481 1076769092 /nfs/dbraw/zinc/76/90/92/1076769092.db2.gz JSQOINCOQULVIR-INIZCTEOSA-N 1 2 403.552 2.290 20 0 HEADLO COc1ccc(C[C@@H]2CCC[N@@H+](Cn3nc(CCC(N)=O)n(C)c3=S)C2)cc1 ZINC000742155481 1076769097 /nfs/dbraw/zinc/76/90/97/1076769097.db2.gz JSQOINCOQULVIR-INIZCTEOSA-N 1 2 403.552 2.290 20 0 HEADLO CCNS(=O)(=O)c1ccc(C)c(C(=O)N2CCC([N@H+](C)CC(F)F)CC2)c1 ZINC000742238537 1076803608 /nfs/dbraw/zinc/80/36/08/1076803608.db2.gz HHTIYSQSEAWVHK-UHFFFAOYSA-N 1 2 403.495 2.095 20 0 HEADLO CCNS(=O)(=O)c1ccc(C)c(C(=O)N2CCC([N@@H+](C)CC(F)F)CC2)c1 ZINC000742238537 1076803611 /nfs/dbraw/zinc/80/36/11/1076803611.db2.gz HHTIYSQSEAWVHK-UHFFFAOYSA-N 1 2 403.495 2.095 20 0 HEADLO CN(CCCC(=O)N1CC[NH+](Cc2ccc(C(N)=O)cc2)CC1)C(=O)OC(C)(C)C ZINC000742325122 1076824077 /nfs/dbraw/zinc/82/40/77/1076824077.db2.gz HNDWQOVUVXYCMA-UHFFFAOYSA-N 1 2 418.538 2.077 20 0 HEADLO C[C@H](CNS(=O)(=O)c1ccc(SC(F)(F)F)cc1)C[NH+]1CCN(C)CC1 ZINC000742312769 1076827883 /nfs/dbraw/zinc/82/78/83/1076827883.db2.gz LSFFBJRRWPCHIA-CYBMUJFWSA-N 1 2 411.515 2.460 20 0 HEADLO O=S(=O)(/C=C/c1cccc(Br)c1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000742316211 1076828519 /nfs/dbraw/zinc/82/85/19/1076828519.db2.gz FONHTDQNVYFSGP-QHQPLOKBSA-N 1 2 415.353 2.404 20 0 HEADLO COc1ccc(C(N)=[NH+]OCC(=O)NCCOc2cccc(Cl)c2)cc1OC ZINC000742354791 1076829583 /nfs/dbraw/zinc/82/95/83/1076829583.db2.gz NWLBLFCSMDMEBO-UHFFFAOYSA-N 1 2 407.854 2.399 20 0 HEADLO Cc1noc(C)c1C[NH+]1CCN(CN2C(=O)CN(/C=C/c3ccccc3)C2=O)CC1 ZINC000742547402 1076850916 /nfs/dbraw/zinc/85/09/16/1076850916.db2.gz BFKNJLNIKZMJEX-CMDGGOBGSA-N 1 2 409.490 2.302 20 0 HEADLO CCc1ccc(NC(=S)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)cc1 ZINC000737465269 1076863272 /nfs/dbraw/zinc/86/32/72/1076863272.db2.gz KRBSOKJTVQYLRK-UHFFFAOYSA-N 1 2 412.563 2.395 20 0 HEADLO CCc1ccc(NC(=S)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)cc1 ZINC000737465269 1076863273 /nfs/dbraw/zinc/86/32/73/1076863273.db2.gz KRBSOKJTVQYLRK-UHFFFAOYSA-N 1 2 412.563 2.395 20 0 HEADLO O=C(/C=C\c1ccccc1)N1CCC(C(=O)N2CCC[C@H]2C[NH+]2CCOCC2)CC1 ZINC000742763116 1076874939 /nfs/dbraw/zinc/87/49/39/1076874939.db2.gz SUVJRHRDRCCZLD-BVGULUMVSA-N 1 2 411.546 2.262 20 0 HEADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)CS[C@@H]1CCS(=O)(=O)C1 ZINC000742943161 1076896800 /nfs/dbraw/zinc/89/68/00/1076896800.db2.gz XMOFHSJNTIRQTE-QGZVFWFLSA-N 1 2 411.593 2.067 20 0 HEADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)Nc2cccc(CC(F)(F)F)c2)CC1 ZINC000743222211 1077006707 /nfs/dbraw/zinc/00/67/07/1077006707.db2.gz NKYWYFPHSSCZNN-UHFFFAOYSA-N 1 2 407.458 2.422 20 0 HEADLO CC[NH+](CC)Cc1csc(NC(=O)c2ccc(C[C@H]3CC(=O)NC3=O)cc2)n1 ZINC000743316453 1077027757 /nfs/dbraw/zinc/02/77/57/1077027757.db2.gz APRDHDRKMWMCGP-HNNXBMFYSA-N 1 2 400.504 2.442 20 0 HEADLO CC(=O)Nc1cc(NC(=O)C(=O)NCc2cc[nH+]c(N3CCCC3)c2)c(F)cc1F ZINC000743373179 1077034645 /nfs/dbraw/zinc/03/46/45/1077034645.db2.gz QBZFGKVFFTZSRR-UHFFFAOYSA-N 1 2 417.416 2.173 20 0 HEADLO COC(=O)CC[N@H+](Cn1c2ccc(C(=O)C(C)C)cc2oc1=O)C1CCOCC1 ZINC000743403779 1077044872 /nfs/dbraw/zinc/04/48/72/1077044872.db2.gz AKNHOPQTHWZCDG-UHFFFAOYSA-N 1 2 404.463 2.435 20 0 HEADLO COC(=O)CC[N@@H+](Cn1c2ccc(C(=O)C(C)C)cc2oc1=O)C1CCOCC1 ZINC000743403779 1077044878 /nfs/dbraw/zinc/04/48/78/1077044878.db2.gz AKNHOPQTHWZCDG-UHFFFAOYSA-N 1 2 404.463 2.435 20 0 HEADLO COC(=O)/C(C)=C\CSc1nc2ccsc2c(=O)n1CCC[NH+]1CCOCC1 ZINC000743454359 1077052210 /nfs/dbraw/zinc/05/22/10/1077052210.db2.gz WEFMRGURLFBDPG-CPSFFCFKSA-N 1 2 423.560 2.392 20 0 HEADLO CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000743603328 1077078758 /nfs/dbraw/zinc/07/87/58/1077078758.db2.gz ZETXSXRUYPHXOZ-FQEVSTJZSA-N 1 2 409.596 2.467 20 0 HEADLO CCO[C@@H](C)c1noc(CN2CC[NH+](C[C@@H](O)c3cc(OC)ccc3OC)CC2)n1 ZINC000743859146 1077145663 /nfs/dbraw/zinc/14/56/63/1077145663.db2.gz VWNWRSFURZJVCM-MAUKXSAKSA-N 1 2 420.510 2.036 20 0 HEADLO CN(C[C@@H]1CCC[N@@H+]1C[C@H](O)c1ccc(S(C)(=O)=O)cc1)C(=O)OC(C)(C)C ZINC000743865519 1077150495 /nfs/dbraw/zinc/15/04/95/1077150495.db2.gz CLFMKKGPWXXYFG-WMZOPIPTSA-N 1 2 412.552 2.455 20 0 HEADLO CN(C[C@@H]1CCC[N@H+]1C[C@H](O)c1ccc(S(C)(=O)=O)cc1)C(=O)OC(C)(C)C ZINC000743865519 1077150508 /nfs/dbraw/zinc/15/05/08/1077150508.db2.gz CLFMKKGPWXXYFG-WMZOPIPTSA-N 1 2 412.552 2.455 20 0 HEADLO Cc1ccc(N2CCOC2=O)cc1NC(=O)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000743880963 1077166644 /nfs/dbraw/zinc/16/66/44/1077166644.db2.gz KNKXQZIRDZPABK-UHFFFAOYSA-N 1 2 423.473 2.202 20 0 HEADLO Cc1nnc(-c2cccc(NC(=O)C(=O)NCc3ccc(-n4cc[nH+]c4)cc3)c2)o1 ZINC000743898609 1077210333 /nfs/dbraw/zinc/21/03/33/1077210333.db2.gz JLDQXCSCGFHVFX-UHFFFAOYSA-N 1 2 402.414 2.486 20 0 HEADLO COC(=O)c1ccc(NC(=O)C(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)cc1 ZINC000743944395 1077238516 /nfs/dbraw/zinc/23/85/16/1077238516.db2.gz IAWJFYYJBBOSHH-UHFFFAOYSA-N 1 2 424.501 2.263 20 0 HEADLO CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)N[C@@H]3CC[C@@H](SC)C3)cc2)CC1 ZINC000743968792 1077273025 /nfs/dbraw/zinc/27/30/25/1077273025.db2.gz SMDLYDODZOYPSY-RTBURBONSA-N 1 2 404.580 2.163 20 0 HEADLO CCOC(=O)c1cn(CN2CC[NH+](Cc3c(C)nc4cc(C)ccn43)CC2)nc1C ZINC000744123464 1077324644 /nfs/dbraw/zinc/32/46/44/1077324644.db2.gz JCYLTMNXAIJAKY-UHFFFAOYSA-N 1 2 410.522 2.408 20 0 HEADLO CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)C[N@@H+]2CCC[C@@H]2c2ccc(O)cc2)C1=O ZINC000744200614 1077338884 /nfs/dbraw/zinc/33/88/84/1077338884.db2.gz NGCJZCBCBGISKG-AUSIDOKSSA-N 1 2 422.485 2.418 20 0 HEADLO CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)C[N@H+]2CCC[C@@H]2c2ccc(O)cc2)C1=O ZINC000744200614 1077338890 /nfs/dbraw/zinc/33/88/90/1077338890.db2.gz NGCJZCBCBGISKG-AUSIDOKSSA-N 1 2 422.485 2.418 20 0 HEADLO COCc1ccccc1CNC(=O)C[N@@H+]1CCc2c(cccc2N2CCOC2=O)C1 ZINC000744415228 1077377774 /nfs/dbraw/zinc/37/77/74/1077377774.db2.gz XEMVGPHHMDFBFH-UHFFFAOYSA-N 1 2 409.486 2.464 20 0 HEADLO COCc1ccccc1CNC(=O)C[N@H+]1CCc2c(cccc2N2CCOC2=O)C1 ZINC000744415228 1077377783 /nfs/dbraw/zinc/37/77/83/1077377783.db2.gz XEMVGPHHMDFBFH-UHFFFAOYSA-N 1 2 409.486 2.464 20 0 HEADLO CNC(=O)c1cccc(NC(=O)[C@H](C)[N@@H+]2CCc3c(cccc3N3CCOC3=O)C2)c1 ZINC000744413169 1077384808 /nfs/dbraw/zinc/38/48/08/1077384808.db2.gz VYQTWRQFIZXLSS-HNNXBMFYSA-N 1 2 422.485 2.388 20 0 HEADLO CNC(=O)c1cccc(NC(=O)[C@H](C)[N@H+]2CCc3c(cccc3N3CCOC3=O)C2)c1 ZINC000744413169 1077384813 /nfs/dbraw/zinc/38/48/13/1077384813.db2.gz VYQTWRQFIZXLSS-HNNXBMFYSA-N 1 2 422.485 2.388 20 0 HEADLO CC(C)C[C@@H]1CC(=O)N(C[NH+]2CCC(N(CC(F)(F)F)S(C)(=O)=O)CC2)C1 ZINC000744434980 1077393230 /nfs/dbraw/zinc/39/32/30/1077393230.db2.gz LWMYQCGRDNOXGU-CQSZACIVSA-N 1 2 413.506 2.127 20 0 HEADLO Cc1cc(Cl)ncc1NC(=O)C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000766319531 1077445288 /nfs/dbraw/zinc/44/52/88/1077445288.db2.gz FSOZDFRHIBTBCN-UHFFFAOYSA-N 1 2 419.888 2.059 20 0 HEADLO C[C@@]1(C(=O)O[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2OC(=O)[C@]2(C)CCCO2)CCCO1 ZINC000766321011 1077447283 /nfs/dbraw/zinc/44/72/83/1077447283.db2.gz QQDOYFJBBLNLOH-YDLSIGKMSA-N 1 2 417.502 2.464 20 0 HEADLO C[C@@]1(C(=O)O[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2OC(=O)[C@]2(C)CCCO2)CCCO1 ZINC000766321011 1077447299 /nfs/dbraw/zinc/44/72/99/1077447299.db2.gz QQDOYFJBBLNLOH-YDLSIGKMSA-N 1 2 417.502 2.464 20 0 HEADLO O=C(NCc1ccccc1OCC[NH+]1CCOCC1)Nc1ccc(-n2nccn2)cc1 ZINC000744774187 1077578663 /nfs/dbraw/zinc/57/86/63/1077578663.db2.gz YPUDTNKSIDFBQI-UHFFFAOYSA-N 1 2 422.489 2.300 20 0 HEADLO CN(C)C(=O)c1ccc(Cl)cc1NC(=O)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000744925468 1077654460 /nfs/dbraw/zinc/65/44/60/1077654460.db2.gz OEFFWDFUKCSPOY-UHFFFAOYSA-N 1 2 414.893 2.112 20 0 HEADLO CC[NH+](CC)[C@@H](C(=O)O[C@H](C)C(=O)NC(=O)NCC(F)(F)F)c1ccccc1 ZINC000744995631 1077699859 /nfs/dbraw/zinc/69/98/59/1077699859.db2.gz GMYHBTDHBDLNCU-TZMCWYRMSA-N 1 2 403.401 2.389 20 0 HEADLO CC[N@@H+]1CCCC[C@H]1C(=O)O[C@H](C)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O ZINC000745087332 1077724636 /nfs/dbraw/zinc/72/46/36/1077724636.db2.gz RHHNSTDSULJFFH-AEFFLSMTSA-N 1 2 414.506 2.229 20 0 HEADLO CC[N@H+]1CCCC[C@H]1C(=O)O[C@H](C)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O ZINC000745087332 1077724643 /nfs/dbraw/zinc/72/46/43/1077724643.db2.gz RHHNSTDSULJFFH-AEFFLSMTSA-N 1 2 414.506 2.229 20 0 HEADLO CC[N@H+](C)[C@H](C(=O)OCC(=O)N1CCC(C(=O)N2CCCC2)CC1)c1ccccc1 ZINC000745098723 1077729263 /nfs/dbraw/zinc/72/92/63/1077729263.db2.gz VGVHCNAZEHQMNW-NRFANRHFSA-N 1 2 415.534 2.084 20 0 HEADLO CC[N@@H+](C)[C@H](C(=O)OCC(=O)N1CCC(C(=O)N2CCCC2)CC1)c1ccccc1 ZINC000745098723 1077729271 /nfs/dbraw/zinc/72/92/71/1077729271.db2.gz VGVHCNAZEHQMNW-NRFANRHFSA-N 1 2 415.534 2.084 20 0 HEADLO Cc1cc(NC(=O)COC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)n(C(C)(C)C)n1 ZINC000745112952 1077746675 /nfs/dbraw/zinc/74/66/75/1077746675.db2.gz XFNXQFUNPWLGBT-GOSISDBHSA-N 1 2 414.506 2.329 20 0 HEADLO Cc1cc(NC(=O)COC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)n(C(C)(C)C)n1 ZINC000745112952 1077746681 /nfs/dbraw/zinc/74/66/81/1077746681.db2.gz XFNXQFUNPWLGBT-GOSISDBHSA-N 1 2 414.506 2.329 20 0 HEADLO Cc1ccc(N2CC[C@@H](NC(=O)NC[C@@H]3C[N@H+](Cc4ccccc4)CCO3)C2=O)cc1 ZINC000745290370 1077804446 /nfs/dbraw/zinc/80/44/46/1077804446.db2.gz XWTJHXYHWQYBCS-FGZHOGPDSA-N 1 2 422.529 2.301 20 0 HEADLO Cc1ccc(N2CC[C@@H](NC(=O)NC[C@@H]3C[N@@H+](Cc4ccccc4)CCO3)C2=O)cc1 ZINC000745290370 1077804447 /nfs/dbraw/zinc/80/44/47/1077804447.db2.gz XWTJHXYHWQYBCS-FGZHOGPDSA-N 1 2 422.529 2.301 20 0 HEADLO Cc1ncc(Cl)c(C(=O)OCC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)n1 ZINC000745378264 1077814986 /nfs/dbraw/zinc/81/49/86/1077814986.db2.gz WUIIZAFBHDDIIV-UHFFFAOYSA-N 1 2 404.854 2.066 20 0 HEADLO C[C@H](C(=O)Nc1sccc1C(N)=O)[N@@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000771792347 1079509268 /nfs/dbraw/zinc/50/92/68/1079509268.db2.gz VQDWMQDQSQAMKA-KGLIPLIRSA-N 1 2 416.551 2.372 20 0 HEADLO C[C@H](C(=O)Nc1sccc1C(N)=O)[N@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000771792347 1079509279 /nfs/dbraw/zinc/50/92/79/1079509279.db2.gz VQDWMQDQSQAMKA-KGLIPLIRSA-N 1 2 416.551 2.372 20 0 HEADLO CCOC(=O)c1cc(C)sc1NC(=O)C[N@@H+]1CCC[C@@H]1C[C@@H](O)c1cnn(C)c1 ZINC000766960164 1079524919 /nfs/dbraw/zinc/52/49/19/1079524919.db2.gz JTOKXXKCESVULM-NVXWUHKLSA-N 1 2 420.535 2.493 20 0 HEADLO CCOC(=O)c1cc(C)sc1NC(=O)C[N@H+]1CCC[C@@H]1C[C@@H](O)c1cnn(C)c1 ZINC000766960164 1079524926 /nfs/dbraw/zinc/52/49/26/1079524926.db2.gz JTOKXXKCESVULM-NVXWUHKLSA-N 1 2 420.535 2.493 20 0 HEADLO CCOC(=O)c1cc(C)sc1NC(=O)C[N@@H+]1CCC[C@@H]1C[C@H](O)c1cnn(C)c1 ZINC000766960172 1079525075 /nfs/dbraw/zinc/52/50/75/1079525075.db2.gz JTOKXXKCESVULM-WBVHZDCISA-N 1 2 420.535 2.493 20 0 HEADLO CCOC(=O)c1cc(C)sc1NC(=O)C[N@H+]1CCC[C@@H]1C[C@H](O)c1cnn(C)c1 ZINC000766960172 1079525089 /nfs/dbraw/zinc/52/50/89/1079525089.db2.gz JTOKXXKCESVULM-WBVHZDCISA-N 1 2 420.535 2.493 20 0 HEADLO Cn1cc([C@H](O)C[C@@H]2CCC[N@@H+]2Cc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)cn1 ZINC000766945230 1079532942 /nfs/dbraw/zinc/53/29/42/1079532942.db2.gz HUJKGMWOVBMTTH-PKOBYXMFSA-N 1 2 419.489 2.343 20 0 HEADLO Cn1cc([C@H](O)C[C@@H]2CCC[N@H+]2Cc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)cn1 ZINC000766945230 1079532961 /nfs/dbraw/zinc/53/29/61/1079532961.db2.gz HUJKGMWOVBMTTH-PKOBYXMFSA-N 1 2 419.489 2.343 20 0 HEADLO CC(C)(C)OC(=O)N1CC[C@H]([N@H+](CN2C(=O)C[C@]3(CCSC3)C2=O)C2CC2)C1 ZINC000771867002 1079557596 /nfs/dbraw/zinc/55/75/96/1079557596.db2.gz UOJLCXCRZVIXDH-YWZLYKJASA-N 1 2 409.552 2.300 20 0 HEADLO CC(C)(C)OC(=O)N1CC[C@H]([N@@H+](CN2C(=O)C[C@]3(CCSC3)C2=O)C2CC2)C1 ZINC000771867002 1079557614 /nfs/dbraw/zinc/55/76/14/1079557614.db2.gz UOJLCXCRZVIXDH-YWZLYKJASA-N 1 2 409.552 2.300 20 0 HEADLO O=C(OCCn1cc[nH+]c1)c1ccc(S(=O)(=O)NCCc2cccs2)cc1 ZINC000771896386 1079580183 /nfs/dbraw/zinc/58/01/83/1079580183.db2.gz DKIBBJCATHPKTL-UHFFFAOYSA-N 1 2 405.501 2.323 20 0 HEADLO COc1ccc(C(=O)NCCC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)nc1Cl ZINC000767033977 1079617001 /nfs/dbraw/zinc/61/70/01/1079617001.db2.gz UNTSPVNWHMMVEO-UHFFFAOYSA-N 1 2 412.918 2.416 20 0 HEADLO CCCOc1ccc2c(c1)CCN(C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)C2 ZINC000771980948 1079624244 /nfs/dbraw/zinc/62/42/44/1079624244.db2.gz NOENVTZCKLRVKZ-UHFFFAOYSA-N 1 2 423.579 2.052 20 0 HEADLO Cc1cc[nH+]c(N2CCN(CC(=O)Nc3ccc(S(=O)(=O)C(F)F)cc3)CC2)c1 ZINC000767067356 1079638439 /nfs/dbraw/zinc/63/84/39/1079638439.db2.gz AZRSMIZNTKEUMB-UHFFFAOYSA-N 1 2 424.473 2.147 20 0 HEADLO CCc1cccnc1C(=O)OCC(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000767071120 1079642794 /nfs/dbraw/zinc/64/27/94/1079642794.db2.gz YTQVFOOAILUZQF-UHFFFAOYSA-N 1 2 411.506 2.371 20 0 HEADLO Cc1cc(NC(=O)COC(=O)C[N@@H+](C)[C@H]2CCSC2)n(-c2ccccc2F)n1 ZINC000767110066 1079664112 /nfs/dbraw/zinc/66/41/12/1079664112.db2.gz GQESNCZDGYBIRO-AWEZNQCLSA-N 1 2 406.483 2.239 20 0 HEADLO Cc1cc(NC(=O)COC(=O)C[N@H+](C)[C@H]2CCSC2)n(-c2ccccc2F)n1 ZINC000767110066 1079664125 /nfs/dbraw/zinc/66/41/25/1079664125.db2.gz GQESNCZDGYBIRO-AWEZNQCLSA-N 1 2 406.483 2.239 20 0 HEADLO O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)C1=CC=CN2CCS(=O)(=O)N=C12 ZINC000767087983 1079671172 /nfs/dbraw/zinc/67/11/72/1079671172.db2.gz BUUQOTWVJPLCRG-UHFFFAOYSA-N 1 2 423.498 2.323 20 0 HEADLO C[N@@H+]1CCN(C(=O)c2ccc3c(c2)[nH]c(=S)n(Cc2ccco2)c3=O)C(C)(C)C1 ZINC000767128699 1079693896 /nfs/dbraw/zinc/69/38/96/1079693896.db2.gz LPHDUPQJTDMBFS-UHFFFAOYSA-N 1 2 412.515 2.493 20 0 HEADLO C[N@H+]1CCN(C(=O)c2ccc3c(c2)[nH]c(=S)n(Cc2ccco2)c3=O)C(C)(C)C1 ZINC000767128699 1079693909 /nfs/dbraw/zinc/69/39/09/1079693909.db2.gz LPHDUPQJTDMBFS-UHFFFAOYSA-N 1 2 412.515 2.493 20 0 HEADLO C[C@@H](C(=O)Nc1ccc(Cl)cn1)[NH+]1CCC(Oc2ccnc(C(N)=O)c2)CC1 ZINC000772333012 1079826246 /nfs/dbraw/zinc/82/62/46/1079826246.db2.gz MTXADYRXVQFODV-LBPRGKRZSA-N 1 2 403.870 2.099 20 0 HEADLO COC(=O)C(C)(C)[C@@H]1CCC[N@H+](CC(=O)Nc2sc3c(c2C(N)=O)CCC3)C1 ZINC000772373122 1079851733 /nfs/dbraw/zinc/85/17/33/1079851733.db2.gz GMLMDYLIIOUYSP-GFCCVEGCSA-N 1 2 407.536 2.185 20 0 HEADLO COC(=O)C(C)(C)[C@@H]1CCC[N@@H+](CC(=O)Nc2sc3c(c2C(N)=O)CCC3)C1 ZINC000772373122 1079851739 /nfs/dbraw/zinc/85/17/39/1079851739.db2.gz GMLMDYLIIOUYSP-GFCCVEGCSA-N 1 2 407.536 2.185 20 0 HEADLO Cc1cncc(/C=C\C(=O)OCC(=O)NCc2ccccc2C[NH+]2CCOCC2)c1 ZINC000772385562 1079857127 /nfs/dbraw/zinc/85/71/27/1079857127.db2.gz SERHPCZLRNIMHD-SREVYHEPSA-N 1 2 409.486 2.095 20 0 HEADLO O=C(OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)[C@H]1CCCN1C(=O)c1ccccc1OC(F)F ZINC000767488413 1079905347 /nfs/dbraw/zinc/90/53/47/1079905347.db2.gz GWZVHGFPYBSMFN-HLLBOEOZSA-N 1 2 424.444 2.299 20 0 HEADLO O=C(OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)[C@H]1CCCN1C(=O)c1ccccc1OC(F)F ZINC000767488413 1079905353 /nfs/dbraw/zinc/90/53/53/1079905353.db2.gz GWZVHGFPYBSMFN-HLLBOEOZSA-N 1 2 424.444 2.299 20 0 HEADLO CN1C(=O)C[C@H](C(=O)OCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)[C@H]1c1ccc(Cl)c(F)c1 ZINC000767580274 1079965183 /nfs/dbraw/zinc/96/51/83/1079965183.db2.gz NMAZQZXLZHXQKA-QCUYGVNKSA-N 1 2 410.873 2.405 20 0 HEADLO CN1C(=O)C[C@H](C(=O)OCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)[C@H]1c1ccc(Cl)c(F)c1 ZINC000767580274 1079965199 /nfs/dbraw/zinc/96/51/99/1079965199.db2.gz NMAZQZXLZHXQKA-QCUYGVNKSA-N 1 2 410.873 2.405 20 0 HEADLO COc1cccc([C@@H]2[C@H](C(=O)OCC[N@H+]3C[C@H]4CC[C@@H](C3)O4)CC(=O)N2C2CC2)c1 ZINC000767582857 1079968725 /nfs/dbraw/zinc/96/87/25/1079968725.db2.gz DHZIHVAGZAAXOP-XAPVIXHLSA-N 1 2 414.502 2.154 20 0 HEADLO COc1cccc([C@@H]2[C@H](C(=O)OCC[N@@H+]3C[C@H]4CC[C@@H](C3)O4)CC(=O)N2C2CC2)c1 ZINC000767582857 1079968745 /nfs/dbraw/zinc/96/87/45/1079968745.db2.gz DHZIHVAGZAAXOP-XAPVIXHLSA-N 1 2 414.502 2.154 20 0 HEADLO CCCCCCn1cc(S(=O)(=O)Oc2ccc(-n3cc[nH+]c3)cc2)c(=O)[nH]c1=O ZINC000772639256 1079998889 /nfs/dbraw/zinc/99/88/89/1079998889.db2.gz OHADLQOQDZPMQG-UHFFFAOYSA-N 1 2 418.475 2.483 20 0 HEADLO COc1cc(S(=O)(=O)NC[C@H](C)[NH+]2CCN(c3ccccc3)CC2)cnc1Cl ZINC000767695982 1080027891 /nfs/dbraw/zinc/02/78/91/1080027891.db2.gz CUCLLGLVEMKTBP-HNNXBMFYSA-N 1 2 424.954 2.233 20 0 HEADLO CC(C)C[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000767702683 1080031793 /nfs/dbraw/zinc/03/17/93/1080031793.db2.gz BMZAMROMJIZLIM-VQTJNVASSA-N 1 2 403.523 2.261 20 0 HEADLO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2S(=O)(=O)c2ccc(C3(C)OCCO3)cc2)C[C@H](C)O1 ZINC000767727480 1080054896 /nfs/dbraw/zinc/05/48/96/1080054896.db2.gz IJDWYNJMWBNHKN-SCTDSRPQSA-N 1 2 424.563 2.168 20 0 HEADLO C[C@@H]1C[N@H+](C[C@@H]2CCCN2S(=O)(=O)c2ccc(C3(C)OCCO3)cc2)C[C@H](C)O1 ZINC000767727480 1080054912 /nfs/dbraw/zinc/05/49/12/1080054912.db2.gz IJDWYNJMWBNHKN-SCTDSRPQSA-N 1 2 424.563 2.168 20 0 HEADLO COc1cc(S(=O)(=O)Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)cn2)cnc1Cl ZINC000767706886 1080057395 /nfs/dbraw/zinc/05/73/95/1080057395.db2.gz VMFQXVPUMRPVEH-CYBMUJFWSA-N 1 2 411.915 2.080 20 0 HEADLO CS(=O)(=O)Nc1ccc(N2CC[NH+](CC(=O)NC3CCCCCCC3)CC2)cc1 ZINC000767747388 1080064508 /nfs/dbraw/zinc/06/45/08/1080064508.db2.gz NVCBOYQNVWKRAE-UHFFFAOYSA-N 1 2 422.595 2.409 20 0 HEADLO C[C@H](C(=O)NC1CCCCC1)[NH+]1CCN(c2ccc(NS(C)(=O)=O)cc2)CC1 ZINC000767746696 1080064853 /nfs/dbraw/zinc/06/48/53/1080064853.db2.gz QHYTWXXGQLXVGO-MRXNPFEDSA-N 1 2 408.568 2.018 20 0 HEADLO C[N@H+](CCOC(C)(C)C)CN1C(=O)N[C@](C)(CCc2ccc3c(c2)OCO3)C1=O ZINC000767771682 1080080403 /nfs/dbraw/zinc/08/04/03/1080080403.db2.gz LABNCLXAUFVPPA-OAQYLSRUSA-N 1 2 405.495 2.363 20 0 HEADLO C[N@@H+](CCOC(C)(C)C)CN1C(=O)N[C@](C)(CCc2ccc3c(c2)OCO3)C1=O ZINC000767771682 1080080415 /nfs/dbraw/zinc/08/04/15/1080080415.db2.gz LABNCLXAUFVPPA-OAQYLSRUSA-N 1 2 405.495 2.363 20 0 HEADLO COCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[NH2+][C@@H](c2cccc(OC)c2)C1 ZINC001169976636 1080173540 /nfs/dbraw/zinc/17/35/40/1080173540.db2.gz WLTRFOBTCNLSSH-QZTJIDSGSA-N 1 2 407.511 2.098 20 0 HEADLO O=C(OCc1nc(C2CCCCC2)cs1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000785659736 1080180986 /nfs/dbraw/zinc/18/09/86/1080180986.db2.gz CTCAXKLSZVDPJR-KRWDZBQOSA-N 1 2 421.563 2.415 20 0 HEADLO O=C(OCCCc1cccc2ccccc21)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000785658818 1080181065 /nfs/dbraw/zinc/18/10/65/1080181065.db2.gz DUALGQBNBCZQTK-OAQYLSRUSA-N 1 2 410.514 2.496 20 0 HEADLO O=C(OCCc1cc(Cl)cc(Cl)c1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000785661224 1080181720 /nfs/dbraw/zinc/18/17/20/1080181720.db2.gz UHIKBOPFRQNROY-HNNXBMFYSA-N 1 2 415.317 2.260 20 0 HEADLO Cc1cc(C(=O)COC(=O)C[NH+]2[C@H](C)CC[C@H]2C)c(C)n1[C@@H]1CCS(=O)(=O)C1 ZINC000785742383 1080211155 /nfs/dbraw/zinc/21/11/55/1080211155.db2.gz HWFHMPXMIYEONG-CKEIUWERSA-N 1 2 410.536 2.063 20 0 HEADLO CC(C)(C)OC(=O)NCCNC(=O)c1ccccc1NC(=O)CCn1cc[nH+]c1 ZINC000785716113 1080224267 /nfs/dbraw/zinc/22/42/67/1080224267.db2.gz JOISDFBUWMWRAE-UHFFFAOYSA-N 1 2 401.467 2.166 20 0 HEADLO O=C(NCCCNc1cccc[nH+]1)C(=O)Nc1cnc(Cl)c(Br)c1 ZINC000768031625 1080295188 /nfs/dbraw/zinc/29/51/88/1080295188.db2.gz TUFQARNAWZEPRA-UHFFFAOYSA-N 1 2 412.675 2.449 20 0 HEADLO COc1ccc(OCC(=O)OCC(=O)N2CC[NH+](Cc3ccsc3)CC2)cc1C ZINC000768149497 1080356500 /nfs/dbraw/zinc/35/65/00/1080356500.db2.gz HSRRVKLHMBMBEF-UHFFFAOYSA-N 1 2 418.515 2.332 20 0 HEADLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(Cc2ccc(NC(=O)OC(C)(C)C)nc2)CC1 ZINC000768228645 1080432043 /nfs/dbraw/zinc/43/20/43/1080432043.db2.gz KWTZDAGCDSEKHA-OAHLLOKOSA-N 1 2 403.527 2.213 20 0 HEADLO Cc1[nH]c2ccc(NC(=O)CNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)cc2[nH+]1 ZINC000768294035 1080464320 /nfs/dbraw/zinc/46/43/20/1080464320.db2.gz QPSAUOVIUFICAB-KRWDZBQOSA-N 1 2 403.483 2.475 20 0 HEADLO CN(CCCn1cc[nH+]c1)C(=O)c1ccc2c(c1)[nH]c(=O)n(-c1ccccc1)c2=O ZINC000768324480 1080486354 /nfs/dbraw/zinc/48/63/54/1080486354.db2.gz ROAJJPHNMQEJAT-UHFFFAOYSA-N 1 2 403.442 2.450 20 0 HEADLO C[C@]1(Cc2ccccc2)CCCN1C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000768334765 1080493198 /nfs/dbraw/zinc/49/31/98/1080493198.db2.gz WZWLPBZXNQVMBD-OAQYLSRUSA-N 1 2 407.580 2.302 20 0 HEADLO CC(=O)CCC(C)(C)C(=O)OCC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000786218345 1080504115 /nfs/dbraw/zinc/50/41/15/1080504115.db2.gz GVHJYQDZLQLRAH-UHFFFAOYSA-N 1 2 416.518 2.204 20 0 HEADLO Cn1cc(C[C@@H]2CC(=O)N(C[NH+]3CCC(OCc4ccccc4F)CC3)C2=O)cn1 ZINC000768477060 1080574906 /nfs/dbraw/zinc/57/49/06/1080574906.db2.gz GGHGULFTUNACSD-GOSISDBHSA-N 1 2 414.481 2.116 20 0 HEADLO CCc1ccc([C@]2(CC)NC(=O)N(C[NH+]3CCC(N4CCCC4=O)CC3)C2=O)cc1 ZINC000768485258 1080577844 /nfs/dbraw/zinc/57/78/44/1080577844.db2.gz SXGOMYIDNAPBNV-QHCPKHFHSA-N 1 2 412.534 2.450 20 0 HEADLO COc1ccc(CN2C(=O)C(=O)N(C[NH+]3CCC(c4cccnc4)CC3)C2=O)cc1 ZINC000768467217 1080585793 /nfs/dbraw/zinc/58/57/93/1080585793.db2.gz CYTXNCLBVPLJGR-UHFFFAOYSA-N 1 2 408.458 2.218 20 0 HEADLO CCc1ccc([C@@]2(CC)NC(=O)N(C[N@@H+]3CC[C@H](CN4CCOCC4)C3)C2=O)cc1 ZINC000768497332 1080593202 /nfs/dbraw/zinc/59/32/02/1080593202.db2.gz UMKGCSSSOWYCHE-AUSIDOKSSA-N 1 2 414.550 2.018 20 0 HEADLO CCc1ccc([C@@]2(CC)NC(=O)N(C[N@H+]3CC[C@H](CN4CCOCC4)C3)C2=O)cc1 ZINC000768497332 1080593213 /nfs/dbraw/zinc/59/32/13/1080593213.db2.gz UMKGCSSSOWYCHE-AUSIDOKSSA-N 1 2 414.550 2.018 20 0 HEADLO CC(C)OCCN1CC[NH+](CCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)CC1 ZINC000746495400 1080619931 /nfs/dbraw/zinc/61/99/31/1080619931.db2.gz MWGMGTQPDZCZCC-UHFFFAOYSA-N 1 2 422.595 2.097 20 0 HEADLO NS(=O)(=O)c1cccc2c1ccnc2C(=O)OCc1ccc(-n2cc[nH+]c2)cc1 ZINC000768621960 1080658087 /nfs/dbraw/zinc/65/80/87/1080658087.db2.gz JWGVMYGGMQMNCR-UHFFFAOYSA-N 1 2 408.439 2.425 20 0 HEADLO O=C(NCc1ccc(Cl)nc1)C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000786615499 1080711829 /nfs/dbraw/zinc/71/18/29/1080711829.db2.gz YFPFJQGSNLWSSL-OAHLLOKOSA-N 1 2 401.898 2.290 20 0 HEADLO C[N@@H+]1CC[C@H](NC(=O)C(=O)NCc2ccc(Cl)nc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000786628592 1080724833 /nfs/dbraw/zinc/72/48/33/1080724833.db2.gz ILCQQUMEAOGPKG-RDJZCZTQSA-N 1 2 408.836 2.191 20 0 HEADLO C[N@H+]1CC[C@H](NC(=O)C(=O)NCc2ccc(Cl)nc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000786628592 1080724844 /nfs/dbraw/zinc/72/48/44/1080724844.db2.gz ILCQQUMEAOGPKG-RDJZCZTQSA-N 1 2 408.836 2.191 20 0 HEADLO CCS(=O)(=O)CCn1cc(C)c(NC(=O)N[C@@H](Cn2cc[nH+]c2)C(C)(C)C)n1 ZINC000786730227 1080779615 /nfs/dbraw/zinc/77/96/15/1080779615.db2.gz RODZXRPHFZZQOB-HNNXBMFYSA-N 1 2 410.544 2.059 20 0 HEADLO O=C(C[N@H+]1CCCN(S(=O)(=O)/C=C/c2cccc(Cl)c2)CC1)N1CCCC1 ZINC000768803093 1080780249 /nfs/dbraw/zinc/78/02/49/1080780249.db2.gz GBNHJYLMTUXPJX-VGOFMYFVSA-N 1 2 411.955 2.271 20 0 HEADLO O=C(C[N@@H+]1CCCN(S(=O)(=O)/C=C/c2cccc(Cl)c2)CC1)N1CCCC1 ZINC000768803093 1080780262 /nfs/dbraw/zinc/78/02/62/1080780262.db2.gz GBNHJYLMTUXPJX-VGOFMYFVSA-N 1 2 411.955 2.271 20 0 HEADLO CN(CCN(C)C(=O)OC(C)(C)C)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000768920603 1080857518 /nfs/dbraw/zinc/85/75/18/1080857518.db2.gz STNJYFYKXJBEEX-IBGZPJMESA-N 1 2 420.554 2.396 20 0 HEADLO CN(CCN(C)C(=O)OC(C)(C)C)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000768920603 1080857521 /nfs/dbraw/zinc/85/75/21/1080857521.db2.gz STNJYFYKXJBEEX-IBGZPJMESA-N 1 2 420.554 2.396 20 0 HEADLO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)c2sc(N3CCCC3)nc2Cl)CC1 ZINC000746616167 1080868710 /nfs/dbraw/zinc/86/87/10/1080868710.db2.gz GSXQGZLELFRPSO-GFCCVEGCSA-N 1 2 400.932 2.106 20 0 HEADLO CC(C)(C)c1csc(COC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)n1 ZINC000786993234 1080902841 /nfs/dbraw/zinc/90/28/41/1080902841.db2.gz AILJAGUPHLWAFB-OAHLLOKOSA-N 1 2 409.552 2.197 20 0 HEADLO CC(C)(C)OC(=O)NC1CC[NH+](CC(=O)Nc2ccc(-n3cncn3)c(F)c2)CC1 ZINC000769136014 1080954192 /nfs/dbraw/zinc/95/41/92/1080954192.db2.gz VIJGNDSZLMDLSE-UHFFFAOYSA-N 1 2 418.473 2.334 20 0 HEADLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)CN1C(=O)N[C@@]2(CCCC(C)(C)C2)C1=O ZINC000769143083 1080959307 /nfs/dbraw/zinc/95/93/07/1080959307.db2.gz IWYAVZQEGYWAGG-QVKFZJNVSA-N 1 2 403.527 2.305 20 0 HEADLO CC(C)(C)OC(=O)N[C@H](C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1)C(C)(C)C ZINC000769144598 1080960195 /nfs/dbraw/zinc/96/01/95/1080960195.db2.gz XQNFLGOOWLWANI-QRWLVFNGSA-N 1 2 415.600 2.250 20 0 HEADLO O=C(NC[C@H](O)c1cc(F)cc(Cl)c1)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000787037309 1080960748 /nfs/dbraw/zinc/96/07/48/1080960748.db2.gz RWTRUERSYDJOMB-WMZOPIPTSA-N 1 2 417.934 2.020 20 0 HEADLO CC(C)(C)OC(=O)NC1CC[NH+](CC(=O)Nc2ccc(-c3nc[nH]n3)cc2)CC1 ZINC000769197066 1081000027 /nfs/dbraw/zinc/00/00/27/1081000027.db2.gz LMDHMKWHNMXLFW-UHFFFAOYSA-N 1 2 400.483 2.399 20 0 HEADLO COc1cc(CNC(=O)C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)ccc1OC(C)C ZINC000787214382 1081050775 /nfs/dbraw/zinc/05/07/75/1081050775.db2.gz AIMOWTINLHDJNF-UHFFFAOYSA-N 1 2 400.479 2.228 20 0 HEADLO COc1cc(CNC(=O)C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)ccc1OC(C)C ZINC000787214382 1081050783 /nfs/dbraw/zinc/05/07/83/1081050783.db2.gz AIMOWTINLHDJNF-UHFFFAOYSA-N 1 2 400.479 2.228 20 0 HEADLO CCc1nc(CN2CC[NH+](Cc3ccc(OC(=O)C4CC4)c(OC)c3)CC2)no1 ZINC000769383846 1081059267 /nfs/dbraw/zinc/05/92/67/1081059267.db2.gz LJZUICPGZRJUTK-UHFFFAOYSA-N 1 2 400.479 2.274 20 0 HEADLO COC(=O)[C@@H]1CC[N@H+](Cn2nc(N3CCCCC3)n(C[C@@H]3CCCO3)c2=S)[C@@H]1C ZINC000787242659 1081067372 /nfs/dbraw/zinc/06/73/72/1081067372.db2.gz JONDBBNXXCGJOU-IXDOHACOSA-N 1 2 423.583 2.424 20 0 HEADLO COC(=O)[C@@H]1CC[N@@H+](Cn2nc(N3CCCCC3)n(C[C@@H]3CCCO3)c2=S)[C@@H]1C ZINC000787242659 1081067376 /nfs/dbraw/zinc/06/73/76/1081067376.db2.gz JONDBBNXXCGJOU-IXDOHACOSA-N 1 2 423.583 2.424 20 0 HEADLO COC(=O)[C@@H]1CC[N@H+](Cn2c3cc(S(=O)(=O)N(C)C)ccc3oc2=S)[C@H]1C ZINC000787240810 1081086537 /nfs/dbraw/zinc/08/65/37/1081086537.db2.gz REJOURHWLJIAGQ-WCQYABFASA-N 1 2 413.521 2.055 20 0 HEADLO COC(=O)[C@@H]1CC[N@@H+](Cn2c3cc(S(=O)(=O)N(C)C)ccc3oc2=S)[C@H]1C ZINC000787240810 1081086542 /nfs/dbraw/zinc/08/65/42/1081086542.db2.gz REJOURHWLJIAGQ-WCQYABFASA-N 1 2 413.521 2.055 20 0 HEADLO COC(=O)[C@H]1CC[N@H+](Cn2c3cc(S(=O)(=O)N(C)C)ccc3oc2=S)[C@@H]1C ZINC000787240812 1081086597 /nfs/dbraw/zinc/08/65/97/1081086597.db2.gz REJOURHWLJIAGQ-YPMHNXCESA-N 1 2 413.521 2.055 20 0 HEADLO COC(=O)[C@H]1CC[N@@H+](Cn2c3cc(S(=O)(=O)N(C)C)ccc3oc2=S)[C@@H]1C ZINC000787240812 1081086602 /nfs/dbraw/zinc/08/66/02/1081086602.db2.gz REJOURHWLJIAGQ-YPMHNXCESA-N 1 2 413.521 2.055 20 0 HEADLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)C(=O)NCc2cccnc2OC2CCCC2)C1 ZINC000787277375 1081087208 /nfs/dbraw/zinc/08/72/08/1081087208.db2.gz FMVIAUZQJKPRCE-KRWDZBQOSA-N 1 2 411.506 2.159 20 0 HEADLO CCOC(=O)[C@@H]1C[N@H+](Cc2sc(N3CCOCC3)nc2-c2ccccc2)CCO1 ZINC000769466796 1081089140 /nfs/dbraw/zinc/08/91/40/1081089140.db2.gz KMBZEMJHZFCJDN-KRWDZBQOSA-N 1 2 417.531 2.411 20 0 HEADLO CCOC(=O)[C@@H]1C[N@@H+](Cc2sc(N3CCOCC3)nc2-c2ccccc2)CCO1 ZINC000769466796 1081089148 /nfs/dbraw/zinc/08/91/48/1081089148.db2.gz KMBZEMJHZFCJDN-KRWDZBQOSA-N 1 2 417.531 2.411 20 0 HEADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)C(=O)N1CCC[C@H]1C[C@@H](O)c1ccco1 ZINC000787298834 1081097760 /nfs/dbraw/zinc/09/77/60/1081097760.db2.gz QFQINDPQWKTBSD-VQTJNVASSA-N 1 2 422.485 2.255 20 0 HEADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)C(=O)N[C@@H]1CC[C@@H]2SCCS[C@@H]12 ZINC000787298830 1081097913 /nfs/dbraw/zinc/09/79/13/1081097913.db2.gz QCVKPXIAJWDWQA-SQNIBIBYSA-N 1 2 416.572 2.043 20 0 HEADLO CC[C@H]1C[N@H+](CC(=O)Nc2cccc(C(=O)OC)n2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000787271248 1081103027 /nfs/dbraw/zinc/10/30/27/1081103027.db2.gz QDPGCIJFLRBDLT-LSDHHAIUSA-N 1 2 420.510 2.432 20 0 HEADLO CC[C@H]1C[N@@H+](CC(=O)Nc2cccc(C(=O)OC)n2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000787271248 1081103033 /nfs/dbraw/zinc/10/30/33/1081103033.db2.gz QDPGCIJFLRBDLT-LSDHHAIUSA-N 1 2 420.510 2.432 20 0 HEADLO COC1(c2nc(-c3ccccn3)no2)CC[NH+](CC(=O)Nc2nc(C)cs2)CC1 ZINC000581957836 569321798 /nfs/dbraw/zinc/32/17/98/569321798.db2.gz ZLQHYAVTMQHPDP-UHFFFAOYSA-N 1 2 414.491 2.473 20 0 HEADLO COCCN1CC[N@H+](C)C2(CCN(c3nccc(Oc4ccccc4)n3)CC2)C1=O ZINC001164632797 719271099 /nfs/dbraw/zinc/27/10/99/719271099.db2.gz CTEXIRNVJRBLMA-UHFFFAOYSA-N 1 2 411.506 2.028 20 0 HEADLO COCCN1CC[N@@H+](C)C2(CCN(c3nccc(Oc4ccccc4)n3)CC2)C1=O ZINC001164632797 719271104 /nfs/dbraw/zinc/27/11/04/719271104.db2.gz CTEXIRNVJRBLMA-UHFFFAOYSA-N 1 2 411.506 2.028 20 0 HEADLO COCCN1CC[N@H+](C)C2(CCN(c3cc4ccc(Cl)nc4cn3)CC2)C1=O ZINC001164640180 719275775 /nfs/dbraw/zinc/27/57/75/719275775.db2.gz OMFTYVTWTMHQGH-UHFFFAOYSA-N 1 2 403.914 2.043 20 0 HEADLO COCCN1CC[N@@H+](C)C2(CCN(c3cc4ccc(Cl)nc4cn3)CC2)C1=O ZINC001164640180 719275778 /nfs/dbraw/zinc/27/57/78/719275778.db2.gz OMFTYVTWTMHQGH-UHFFFAOYSA-N 1 2 403.914 2.043 20 0 HEADLO COCCN1CC[N@H+](C)C2(CCN(c3ncc4ccc(Cl)cc4n3)CC2)C1=O ZINC001164638194 719276552 /nfs/dbraw/zinc/27/65/52/719276552.db2.gz DMLHPRFBRWTROJ-UHFFFAOYSA-N 1 2 403.914 2.043 20 0 HEADLO COCCN1CC[N@@H+](C)C2(CCN(c3ncc4ccc(Cl)cc4n3)CC2)C1=O ZINC001164638194 719276560 /nfs/dbraw/zinc/27/65/60/719276560.db2.gz DMLHPRFBRWTROJ-UHFFFAOYSA-N 1 2 403.914 2.043 20 0 HEADLO CCn1nnc2c1[C@H](COC)CN(c1ncnc3c1C[N@H+](Cc1ccccc1)CC3)C2 ZINC001164665106 719360633 /nfs/dbraw/zinc/36/06/33/719360633.db2.gz VNAJTKSNCHTEHQ-SFHVURJKSA-N 1 2 419.533 2.397 20 0 HEADLO CCn1nnc2c1[C@H](COC)CN(c1ncnc3c1C[N@@H+](Cc1ccccc1)CC3)C2 ZINC001164665106 719360634 /nfs/dbraw/zinc/36/06/34/719360634.db2.gz VNAJTKSNCHTEHQ-SFHVURJKSA-N 1 2 419.533 2.397 20 0 HEADLO CNC(=O)C[N@@H+]1CCCC12CCN(C(F)(F)c1nc3ccc(Cl)nc3[nH]1)CC2 ZINC001164689566 719744503 /nfs/dbraw/zinc/74/45/03/719744503.db2.gz ICRLPTSJJFYSJG-UHFFFAOYSA-N 1 2 412.872 2.337 20 0 HEADLO CNC(=O)C[N@H+]1CCCC12CCN(C(F)(F)c1nc3ccc(Cl)nc3[nH]1)CC2 ZINC001164689566 719744515 /nfs/dbraw/zinc/74/45/15/719744515.db2.gz ICRLPTSJJFYSJG-UHFFFAOYSA-N 1 2 412.872 2.337 20 0 HEADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(F)(F)c1cnc(Cl)cc1N ZINC001164702569 719856254 /nfs/dbraw/zinc/85/62/54/719856254.db2.gz NYKSGAOSIGVXDH-SJKOYZFVSA-N 1 2 418.872 2.095 20 0 HEADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc(-c2cccs2)ncn1 ZINC001164707449 719870886 /nfs/dbraw/zinc/87/08/86/719870886.db2.gz SRYCEAATVLNVPO-QRWLVFNGSA-N 1 2 402.520 2.438 20 0 HEADLO Cc1cc(Cl)c(C)nc1N1CCc2c(C(=O)N3CC[NH+](C)CC3)nn(C)c2C1 ZINC001164709260 719915117 /nfs/dbraw/zinc/91/51/17/719915117.db2.gz RYFGIWAFIAKXFB-UHFFFAOYSA-N 1 2 402.930 2.036 20 0 HEADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cnc(Cl)cc3C)C2)C1 ZINC001164719942 720251592 /nfs/dbraw/zinc/25/15/92/720251592.db2.gz PZGHQXLQVLXHAA-GOSISDBHSA-N 1 2 416.900 2.253 20 0 HEADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cnc(Cl)cc3C)C2)C1 ZINC001164719942 720251606 /nfs/dbraw/zinc/25/16/06/720251606.db2.gz PZGHQXLQVLXHAA-GOSISDBHSA-N 1 2 416.900 2.253 20 0 HEADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ncnc5c4CCC5)CC3)C2=O)cs1 ZINC001164826484 720361289 /nfs/dbraw/zinc/36/12/89/720361289.db2.gz VYCYIKBWVIESKG-UHFFFAOYSA-N 1 2 412.563 2.043 20 0 HEADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ncnc5c4CCC5)CC3)C2=O)cs1 ZINC001164826484 720361297 /nfs/dbraw/zinc/36/12/97/720361297.db2.gz VYCYIKBWVIESKG-UHFFFAOYSA-N 1 2 412.563 2.043 20 0 HEADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4cc(N)cc(Cl)n4)CC3)C2=O)cs1 ZINC001164823981 720366784 /nfs/dbraw/zinc/36/67/84/720366784.db2.gz FJDYWQWQHNBAHA-UHFFFAOYSA-N 1 2 420.970 2.395 20 0 HEADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4cc(N)cc(Cl)n4)CC3)C2=O)cs1 ZINC001164823981 720366790 /nfs/dbraw/zinc/36/67/90/720366790.db2.gz FJDYWQWQHNBAHA-UHFFFAOYSA-N 1 2 420.970 2.395 20 0 HEADLO COCc1ccc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)nc1 ZINC001164819367 720378758 /nfs/dbraw/zinc/37/87/58/720378758.db2.gz DMPBXXGYEYZLML-UHFFFAOYSA-N 1 2 415.563 2.306 20 0 HEADLO COCc1ccc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)nc1 ZINC001164819367 720378766 /nfs/dbraw/zinc/37/87/66/720378766.db2.gz DMPBXXGYEYZLML-UHFFFAOYSA-N 1 2 415.563 2.306 20 0 HEADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1cc3ccsc3cn1)C2 ZINC001164831292 720460090 /nfs/dbraw/zinc/46/00/90/720460090.db2.gz OGJMDHJBQJTQPZ-QGZVFWFLSA-N 1 2 413.547 2.482 20 0 HEADLO CSCc1ccc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)nc1 ZINC001164832668 720476435 /nfs/dbraw/zinc/47/64/35/720476435.db2.gz VHEPRYQXYYAKRT-SFHVURJKSA-N 1 2 417.579 2.131 20 0 HEADLO CSCc1ccc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)nc1 ZINC001164832667 720476737 /nfs/dbraw/zinc/47/67/37/720476737.db2.gz VHEPRYQXYYAKRT-GOSISDBHSA-N 1 2 417.579 2.131 20 0 HEADLO O=c1cc(Cn2cc[nH+]c2)nc2n1CCCN([C@@H](F)Oc1cccc(Cl)n1)C2 ZINC001164856905 720895804 /nfs/dbraw/zinc/89/58/04/720895804.db2.gz HWXYLFQRLONKCE-GOSISDBHSA-N 1 2 404.833 2.074 20 0 HEADLO Clc1cnc(Cl)nc1N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164913625 721769805 /nfs/dbraw/zinc/76/98/05/721769805.db2.gz YSCSIPIUDDABHT-SFHVURJKSA-N 1 2 410.305 2.286 20 0 HEADLO Clc1cnc(Cl)nc1N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164913625 721769812 /nfs/dbraw/zinc/76/98/12/721769812.db2.gz YSCSIPIUDDABHT-SFHVURJKSA-N 1 2 410.305 2.286 20 0 HEADLO CSc1nc(Cl)ncc1N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164916633 721782415 /nfs/dbraw/zinc/78/24/15/721782415.db2.gz RFNWRKNBIGJDBR-LJQANCHMSA-N 1 2 421.954 2.355 20 0 HEADLO CSc1nc(Cl)ncc1N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164916633 721782417 /nfs/dbraw/zinc/78/24/17/721782417.db2.gz RFNWRKNBIGJDBR-LJQANCHMSA-N 1 2 421.954 2.355 20 0 HEADLO COc1ccc(Cl)c(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164917914 721782961 /nfs/dbraw/zinc/78/29/61/721782961.db2.gz ZUUNKBIGHPBXAD-HXUWFJFHSA-N 1 2 404.898 2.246 20 0 HEADLO COc1ccc(Cl)c(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164917914 721782962 /nfs/dbraw/zinc/78/29/62/721782962.db2.gz ZUUNKBIGHPBXAD-HXUWFJFHSA-N 1 2 404.898 2.246 20 0 HEADLO COc1ccc2ncc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)nc2c1 ZINC001164914926 721783081 /nfs/dbraw/zinc/78/30/81/721783081.db2.gz IEXZCHXGKAAGBH-HSZRJFAPSA-N 1 2 421.501 2.141 20 0 HEADLO COc1ccc2ncc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)nc2c1 ZINC001164914926 721783087 /nfs/dbraw/zinc/78/30/87/721783087.db2.gz IEXZCHXGKAAGBH-HSZRJFAPSA-N 1 2 421.501 2.141 20 0 HEADLO c1ccc(-c2ccc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)nn2)nc1 ZINC001164915719 721796717 /nfs/dbraw/zinc/79/67/17/721796717.db2.gz YVEMVPJWSFJWJM-QHCPKHFHSA-N 1 2 418.501 2.041 20 0 HEADLO c1ccc(-c2ccc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)nn2)nc1 ZINC001164915719 721796723 /nfs/dbraw/zinc/79/67/23/721796723.db2.gz YVEMVPJWSFJWJM-QHCPKHFHSA-N 1 2 418.501 2.041 20 0 HEADLO COC(=O)CSc1cccc(N2CCC3(CC2)c2[nH+]cc(C)n2CCN3C)n1 ZINC001164917828 721817965 /nfs/dbraw/zinc/81/79/65/721817965.db2.gz IUXHVGVPGZLMSL-UHFFFAOYSA-N 1 2 401.536 2.293 20 0 HEADLO CCCN(CCC)c1cc(N2CCN(Cc3nc(OC)cc(OC)n3)CC2)nc[nH+]1 ZINC001165030456 721849089 /nfs/dbraw/zinc/84/90/89/721849089.db2.gz QOZRJCUEYHPFJM-UHFFFAOYSA-N 1 2 415.542 2.232 20 0 HEADLO CCOc1c(Cl)ncnc1N1CCC2(CC1)C(=O)NCC[N@H+]2Cc1ccccc1 ZINC001164948390 721974889 /nfs/dbraw/zinc/97/48/89/721974889.db2.gz YPZALQQPFJPLAQ-UHFFFAOYSA-N 1 2 415.925 2.500 20 0 HEADLO CCOc1c(Cl)ncnc1N1CCC2(CC1)C(=O)NCC[N@@H+]2Cc1ccccc1 ZINC001164948390 721974893 /nfs/dbraw/zinc/97/48/93/721974893.db2.gz YPZALQQPFJPLAQ-UHFFFAOYSA-N 1 2 415.925 2.500 20 0 HEADLO CC(C)n1cnc2cnc(N3CCC4(CC3)C(=O)NCC[N@H+]4Cc3ccccc3)nc21 ZINC001164945072 721978603 /nfs/dbraw/zinc/97/86/03/721978603.db2.gz BPWNSPLSOZFRGL-UHFFFAOYSA-N 1 2 419.533 2.378 20 0 HEADLO CC(C)n1cnc2cnc(N3CCC4(CC3)C(=O)NCC[N@@H+]4Cc3ccccc3)nc21 ZINC001164945072 721978605 /nfs/dbraw/zinc/97/86/05/721978605.db2.gz BPWNSPLSOZFRGL-UHFFFAOYSA-N 1 2 419.533 2.378 20 0 HEADLO COc1ncc(Cl)c(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)n1 ZINC001164949873 721980778 /nfs/dbraw/zinc/98/07/78/721980778.db2.gz QZECATRFLIKRCP-UHFFFAOYSA-N 1 2 401.898 2.110 20 0 HEADLO COc1ncc(Cl)c(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)n1 ZINC001164949873 721980780 /nfs/dbraw/zinc/98/07/80/721980780.db2.gz QZECATRFLIKRCP-UHFFFAOYSA-N 1 2 401.898 2.110 20 0 HEADLO CCN(CC)c1cc(N2CC[C@@]3(C2)CN(c2cccc(F)c2)C(=O)CN3C)nc[nH+]1 ZINC001165007767 722266241 /nfs/dbraw/zinc/26/62/41/722266241.db2.gz UFGAMPRLUGDWFA-JOCHJYFZSA-N 1 2 412.513 2.389 20 0 HEADLO Clc1nn(CN2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)c2ccccc12 ZINC000769648238 1078483316 /nfs/dbraw/zinc/48/33/16/1078483316.db2.gz WKQUOWXQSCLGLN-UHFFFAOYSA-N 1 2 413.913 2.096 20 0 HEADLO C[C@@H]1C[N@@H+](C[C@H]2CCCN2S(=O)(=O)CCC(=O)OCc2ccccc2)C[C@H](C)O1 ZINC000769758030 1078542907 /nfs/dbraw/zinc/54/29/07/1078542907.db2.gz PXTBKSVZYGUVFC-WSTZPKSXSA-N 1 2 424.563 2.023 20 0 HEADLO C[C@@H]1C[N@H+](C[C@H]2CCCN2S(=O)(=O)CCC(=O)OCc2ccccc2)C[C@H](C)O1 ZINC000769758030 1078542920 /nfs/dbraw/zinc/54/29/20/1078542920.db2.gz PXTBKSVZYGUVFC-WSTZPKSXSA-N 1 2 424.563 2.023 20 0 HEADLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)c2cc(S(=O)(=O)N3CCC3)ccc2Cl)C1 ZINC000769764906 1078545000 /nfs/dbraw/zinc/54/50/00/1078545000.db2.gz LCSFUSDVTSJYMS-AWEZNQCLSA-N 1 2 422.938 2.488 20 0 HEADLO CCOC(=O)[C@H]1CCCN(C(=O)C[NH+]2CCC(O)(c3ccccc3Cl)CC2)C1 ZINC000769817537 1078575061 /nfs/dbraw/zinc/57/50/61/1078575061.db2.gz VZEJPOPJVPVPPR-INIZCTEOSA-N 1 2 408.926 2.425 20 0 HEADLO Cc1cc(N2CCN(C(=O)COC(=O)CC[C@H]3CC[C@@H](C)O3)CC2)nc(C(C)C)[nH+]1 ZINC000745713548 1078603696 /nfs/dbraw/zinc/60/36/96/1078603696.db2.gz UHELMOVGCXSIPO-QZTJIDSGSA-N 1 2 418.538 2.448 20 0 HEADLO C[C@H](CNC(=O)NCC[N@@H+]1CCO[C@@H](C)C1)Oc1cccc(Br)c1 ZINC000745793474 1078649768 /nfs/dbraw/zinc/64/97/68/1078649768.db2.gz UWBXHDIPUVSKCA-KGLIPLIRSA-N 1 2 400.317 2.236 20 0 HEADLO C[C@H](CNC(=O)NCC[N@H+]1CCO[C@@H](C)C1)Oc1cccc(Br)c1 ZINC000745793474 1078649779 /nfs/dbraw/zinc/64/97/79/1078649779.db2.gz UWBXHDIPUVSKCA-KGLIPLIRSA-N 1 2 400.317 2.236 20 0 HEADLO CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@@H]1NC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000745794049 1078650582 /nfs/dbraw/zinc/65/05/82/1078650582.db2.gz VAFNPIDYAWGBGR-IRXDYDNUSA-N 1 2 412.575 2.480 20 0 HEADLO CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@@H]1NC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000745794049 1078650583 /nfs/dbraw/zinc/65/05/83/1078650583.db2.gz VAFNPIDYAWGBGR-IRXDYDNUSA-N 1 2 412.575 2.480 20 0 HEADLO Cc1cc([C@@](C)(O)CNC(=O)N[C@@H](Cc2ccccc2)C[NH+]2CCOCC2)c(C)o1 ZINC000745816358 1078658788 /nfs/dbraw/zinc/65/87/88/1078658788.db2.gz XQESSXYBPDLMFR-REWPJTCUSA-N 1 2 415.534 2.347 20 0 HEADLO CC(C)C(=O)N1CCN(C(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)CC1 ZINC000745868046 1078668077 /nfs/dbraw/zinc/66/80/77/1078668077.db2.gz IRVHLVRHMHSJOU-UHFFFAOYSA-N 1 2 401.555 2.231 20 0 HEADLO CN(C)c1ccc([NH+]2CCC(NC(=O)NC[C@@H](CO)Cc3ccco3)CC2)cc1 ZINC000745868193 1078668118 /nfs/dbraw/zinc/66/81/18/1078668118.db2.gz LVJYJYPITQKTRO-KRWDZBQOSA-N 1 2 400.523 2.465 20 0 HEADLO COC(=O)C1=C(CN2CCC[C@@H](c3[nH+]ccn3C)C2)N(C)C(=O)N[C@H]1c1ccccc1 ZINC000770027410 1078694375 /nfs/dbraw/zinc/69/43/75/1078694375.db2.gz OYKWNMXNTKYYRY-XLIONFOSSA-N 1 2 423.517 2.423 20 0 HEADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N1CCOC[C@H]1C[C@@H](O)c1ccco1 ZINC000770259683 1078793863 /nfs/dbraw/zinc/79/38/63/1078793863.db2.gz GWRFLAALNKQDHY-SJLPKXTDSA-N 1 2 416.478 2.176 20 0 HEADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)NCC(=O)Nc1ccc(F)c(F)c1 ZINC000770261050 1078794172 /nfs/dbraw/zinc/79/41/72/1078794172.db2.gz UGBMHIFPXKKDGS-UHFFFAOYSA-N 1 2 405.405 2.265 20 0 HEADLO CSCC[C@H](NS(=O)(=O)C=Cc1ccccc1)C(=O)Nc1cc[nH+]c(C)c1 ZINC000770291330 1078817739 /nfs/dbraw/zinc/81/77/39/1078817739.db2.gz ILPXWTKXNVNLSH-GFBZKKKVSA-N 1 2 405.545 2.462 20 0 HEADLO CSCC[C@@H](NS(=O)(=O)C=Cc1ccccc1)C(=O)Nc1cc[nH+]c(C)c1 ZINC000770291333 1078817756 /nfs/dbraw/zinc/81/77/56/1078817756.db2.gz ILPXWTKXNVNLSH-LVMGUKCRSA-N 1 2 405.545 2.462 20 0 HEADLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)Nc1cnn(Cc2nnc3n2CCCC3)c1 ZINC000770365128 1078831148 /nfs/dbraw/zinc/83/11/48/1078831148.db2.gz XCZNJSQJXHLHGY-UHFFFAOYSA-N 1 2 417.477 2.367 20 0 HEADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)Nc2cccc(OCCS(C)(=O)=O)c2)C1 ZINC000770345053 1078837213 /nfs/dbraw/zinc/83/72/13/1078837213.db2.gz GXLBXCHXCBBZHG-OAHLLOKOSA-N 1 2 406.508 2.255 20 0 HEADLO Cn1c(=O)c2ccc(C(=O)Nc3ccc(N4CC[C@@H]([NH+](C)C)C4)cn3)cc2[nH]c1=S ZINC000746290627 1078837718 /nfs/dbraw/zinc/83/77/18/1078837718.db2.gz FNPQUFSFGAYJNC-OAHLLOKOSA-N 1 2 424.530 2.010 20 0 HEADLO CCC(CC)[C@H](C(=O)NCC1CCN(C(=O)C(F)(F)F)CC1)[NH+]1CCOCC1 ZINC000746308993 1078849241 /nfs/dbraw/zinc/84/92/41/1078849241.db2.gz DNHQBCBSBILELP-MRXNPFEDSA-N 1 2 407.477 2.041 20 0 HEADLO Cc1cc(N2CCN(C(=O)C3=NN(CC(C)C)C(=O)CC3)CC2)nc(C(C)C)[nH+]1 ZINC000766345407 1078879924 /nfs/dbraw/zinc/87/99/24/1078879924.db2.gz BSTJBRXHJQSDEK-UHFFFAOYSA-N 1 2 400.527 2.191 20 0 HEADLO Cc1ccc(CC[N@H+](C[C@@H]2CCCO2)CN2C(=O)C[C@H](Cc3cnn(C)c3)C2=O)cc1 ZINC000746380574 1078885871 /nfs/dbraw/zinc/88/58/71/1078885871.db2.gz TUVDFGYKGRWCIO-VXKWHMMOSA-N 1 2 424.545 2.327 20 0 HEADLO Cc1ccc(CC[N@@H+](C[C@@H]2CCCO2)CN2C(=O)C[C@H](Cc3cnn(C)c3)C2=O)cc1 ZINC000746380574 1078885873 /nfs/dbraw/zinc/88/58/73/1078885873.db2.gz TUVDFGYKGRWCIO-VXKWHMMOSA-N 1 2 424.545 2.327 20 0 HEADLO CNC(=O)CC1CC[NH+](CN2C(=O)N[C@](C)(c3ccc(CC(C)C)cc3)C2=O)CC1 ZINC000746384549 1078888416 /nfs/dbraw/zinc/88/84/16/1078888416.db2.gz CIPDJLTZAQHFOC-HSZRJFAPSA-N 1 2 414.550 2.458 20 0 HEADLO COc1c(C)c[nH+]c(CNC(=O)C(=O)Nc2ccnn2CCc2ccccc2)c1C ZINC000746383644 1078889226 /nfs/dbraw/zinc/88/92/26/1078889226.db2.gz AGEMBDVEAVFJAD-UHFFFAOYSA-N 1 2 407.474 2.401 20 0 HEADLO C[C@H](NC(=O)N[C@H](CNC(=O)OC(C)(C)C)C1CCCC1)[C@H](C)[NH+]1CCOCC1 ZINC000770544595 1078891647 /nfs/dbraw/zinc/89/16/47/1078891647.db2.gz JEPHSFXBJCELSA-XYJFISCASA-N 1 2 412.575 2.478 20 0 HEADLO CC(=O)[C@H]1CC(C(=O)Nc2ccc(N3CCOCC3)[nH+]c2C)=NN1c1ccccc1 ZINC000770665881 1078924951 /nfs/dbraw/zinc/92/49/51/1078924951.db2.gz PEYKLSBJNLGAIX-HXUWFJFHSA-N 1 2 407.474 2.389 20 0 HEADLO CO[C@H](C)c1noc(C[N@@H+]2CCCN(c3ncnc4c3cnn4C(C)(C)C)CC2)n1 ZINC000766423396 1078975995 /nfs/dbraw/zinc/97/59/95/1078975995.db2.gz RTFGZXZKDLUOLP-CQSZACIVSA-N 1 2 414.514 2.384 20 0 HEADLO CO[C@H](C)c1noc(C[N@H+]2CCCN(c3ncnc4c3cnn4C(C)(C)C)CC2)n1 ZINC000766423396 1078976009 /nfs/dbraw/zinc/97/60/09/1078976009.db2.gz RTFGZXZKDLUOLP-CQSZACIVSA-N 1 2 414.514 2.384 20 0 HEADLO CCOC1CC(CNC(=O)Nc2ccc3c(c2)C[C@@H](OC)C3)([NH+]2CCOCC2)C1 ZINC000770706613 1078976368 /nfs/dbraw/zinc/97/63/68/1078976368.db2.gz AOHXBCJZJLKUTJ-YMISUZCDSA-N 1 2 403.523 2.192 20 0 HEADLO Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+]([C@@H](C)C(=O)Nc3sccc3C(N)=O)C2)nc1 ZINC000746457022 1078995930 /nfs/dbraw/zinc/99/59/30/1078995930.db2.gz IBTYUQCVVHVADA-UONOGXRCSA-N 1 2 415.519 2.228 20 0 HEADLO Cc1ccc(NC(=O)[C@@H]2CCC[N@H+]([C@@H](C)C(=O)Nc3sccc3C(N)=O)C2)nc1 ZINC000746457022 1078995941 /nfs/dbraw/zinc/99/59/41/1078995941.db2.gz IBTYUQCVVHVADA-UONOGXRCSA-N 1 2 415.519 2.228 20 0 HEADLO Cn1ncc(NC(=O)C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)c1C1CC1 ZINC000770767643 1078987849 /nfs/dbraw/zinc/98/78/49/1078987849.db2.gz ZRTDXLCMNZFLEE-RDJZCZTQSA-N 1 2 403.433 2.076 20 0 HEADLO Cn1ncc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)c1C1CC1 ZINC000770767643 1078987858 /nfs/dbraw/zinc/98/78/58/1078987858.db2.gz ZRTDXLCMNZFLEE-RDJZCZTQSA-N 1 2 403.433 2.076 20 0 HEADLO C=CC(=O)NCc1ccc(C(=O)N2CC[NH+](CCOc3cccc(OC)c3)CC2)cc1 ZINC000766420010 1078988260 /nfs/dbraw/zinc/98/82/60/1078988260.db2.gz OPVWEAOPPLUITR-UHFFFAOYSA-N 1 2 423.513 2.334 20 0 HEADLO Cc1ccc(-c2csc(NC(=O)[C@H](C)N3CC[NH+](CC[S@@](C)=O)CC3)n2)cc1 ZINC000746473798 1079028285 /nfs/dbraw/zinc/02/82/85/1079028285.db2.gz KMUQVLCJLKFHRI-DEXQXJORSA-N 1 2 420.604 2.442 20 0 HEADLO Cc1nn(CCS(C)(=O)=O)c(C)c1C[N@H+](C[C@@H]1CCCO1)[C@@H]1CCSC1 ZINC001168884771 1079068384 /nfs/dbraw/zinc/06/83/84/1079068384.db2.gz FKCQXHNEMDDBOW-SJORKVTESA-N 1 2 401.598 2.031 20 0 HEADLO Cc1nn(CCS(C)(=O)=O)c(C)c1C[N@@H+](C[C@@H]1CCCO1)[C@@H]1CCSC1 ZINC001168884771 1079068390 /nfs/dbraw/zinc/06/83/90/1079068390.db2.gz FKCQXHNEMDDBOW-SJORKVTESA-N 1 2 401.598 2.031 20 0 HEADLO COC(=O)c1ccc(C[N@H+](C[C@@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)c2ncccc12 ZINC001168925809 1079069206 /nfs/dbraw/zinc/06/92/06/1079069206.db2.gz UNVGVOALEAKBAS-IRXDYDNUSA-N 1 2 418.515 2.190 20 0 HEADLO COC(=O)c1ccc(C[N@@H+](C[C@@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)c2ncccc12 ZINC001168925809 1079069211 /nfs/dbraw/zinc/06/92/11/1079069211.db2.gz UNVGVOALEAKBAS-IRXDYDNUSA-N 1 2 418.515 2.190 20 0 HEADLO COc1ccc(CN2CC[C@@H]([N@@H+]3CCn4cc(Cn5cccn5)nc4C3)CC2=O)cc1 ZINC001168934116 1079078432 /nfs/dbraw/zinc/07/84/32/1079078432.db2.gz SDRQPQXICCKFJD-HXUWFJFHSA-N 1 2 420.517 2.143 20 0 HEADLO COc1ccc(CN2CC[C@@H]([N@H+]3CCn4cc(Cn5cccn5)nc4C3)CC2=O)cc1 ZINC001168934116 1079078434 /nfs/dbraw/zinc/07/84/34/1079078434.db2.gz SDRQPQXICCKFJD-HXUWFJFHSA-N 1 2 420.517 2.143 20 0 HEADLO COc1ccc(CN2CC[C@H]([N@@H+]3CCn4cc(Cn5cccn5)nc4C3)CC2=O)cc1 ZINC001168934112 1079078448 /nfs/dbraw/zinc/07/84/48/1079078448.db2.gz SDRQPQXICCKFJD-FQEVSTJZSA-N 1 2 420.517 2.143 20 0 HEADLO COc1ccc(CN2CC[C@H]([N@H+]3CCn4cc(Cn5cccn5)nc4C3)CC2=O)cc1 ZINC001168934112 1079078450 /nfs/dbraw/zinc/07/84/50/1079078450.db2.gz SDRQPQXICCKFJD-FQEVSTJZSA-N 1 2 420.517 2.143 20 0 HEADLO C[C@@H]1CCCN(S(=O)(=O)c2cc(C(=O)OCc3cccc4[nH+]ccn43)n(C)c2)C1 ZINC000770922656 1079081747 /nfs/dbraw/zinc/08/17/47/1079081747.db2.gz PFADYKVHJPSHQY-OAHLLOKOSA-N 1 2 416.503 2.450 20 0 HEADLO O=C(Cc1ccc(Br)cc1Cl)N1CCO[C@@H](C[NH+]2CCOCC2)C1 ZINC001169001394 1079096001 /nfs/dbraw/zinc/09/60/01/1079096001.db2.gz BMACMASDOJEAAB-HNNXBMFYSA-N 1 2 417.731 2.205 20 0 HEADLO CCOC(=O)[C@@]1(CNC(=O)c2ccc(NCCn3cc[nH+]c3)cc2)CCCOC1 ZINC001169001355 1079096041 /nfs/dbraw/zinc/09/60/41/1079096041.db2.gz AJTJPLQGBUCZQV-OAQYLSRUSA-N 1 2 400.479 2.085 20 0 HEADLO O=C(N1CCO[C@@H](C[NH+]2CCOCC2)C1)C1(c2ccc(Br)cc2)CCC1 ZINC001168989513 1079101805 /nfs/dbraw/zinc/10/18/05/1079101805.db2.gz BGNBPYSGTCVSDY-SFHVURJKSA-N 1 2 423.351 2.430 20 0 HEADLO CCOC(=O)[C@H]([NH2+]C[C@@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)O1)C1CCOCC1 ZINC001169065502 1079121173 /nfs/dbraw/zinc/12/11/73/1079121173.db2.gz PPKJTLTVDWBLCJ-DLBZAZTESA-N 1 2 412.527 2.103 20 0 HEADLO COC[C@@H]([NH2+][C@H](C)C(=O)Nc1cc(C(=O)OC)ccc1C(=O)OC)c1ccc(C)o1 ZINC001169101446 1079129416 /nfs/dbraw/zinc/12/94/16/1079129416.db2.gz CDEOECLCFFZBRB-CXAGYDPISA-N 1 2 418.446 2.466 20 0 HEADLO C[C@]1(c2ccc(F)c(Cl)c2)NC(=O)N(CC(=O)NCCCCn2cc[nH+]c2)C1=O ZINC000771124819 1079144063 /nfs/dbraw/zinc/14/40/63/1079144063.db2.gz LRBNRFVKYFEUQU-LJQANCHMSA-N 1 2 421.860 2.039 20 0 HEADLO NS(=O)(=O)c1cc(C(=O)NCCn2c[nH+]cc2-c2ccccc2)ccc1Cl ZINC001169159418 1079169149 /nfs/dbraw/zinc/16/91/49/1079169149.db2.gz STKXJUCMLHXRTD-UHFFFAOYSA-N 1 2 404.879 2.281 20 0 HEADLO NS(=O)(=O)c1cccc2c1ccnc2C(=O)NCCn1c[nH+]cc1-c1ccccc1 ZINC001169159884 1079169172 /nfs/dbraw/zinc/16/91/72/1079169172.db2.gz XQYQQXYXLVSSRI-UHFFFAOYSA-N 1 2 421.482 2.176 20 0 HEADLO COC(=O)C[C@]1(NC(=O)Nc2cccc([C@@H](C)[NH+]3CCOCC3)c2)CCCOC1 ZINC000771142625 1079191047 /nfs/dbraw/zinc/19/10/47/1079191047.db2.gz CIVWYDWYVUQICS-IIBYNOLFSA-N 1 2 405.495 2.314 20 0 HEADLO Nc1cc(Br)cc(C(=O)NCc2cc[nH+]c(N3CCSCC3)c2)c1N ZINC001169226442 1079203837 /nfs/dbraw/zinc/20/38/37/1079203837.db2.gz PRUUUHSLFVOTMN-UHFFFAOYSA-N 1 2 422.352 2.492 20 0 HEADLO Cc1cc(N[C@H]2C[C@@H](C(=O)OCc3ccccc3)CCC[NH2+]2)nc(S(C)(=O)=O)n1 ZINC001169520580 1079321435 /nfs/dbraw/zinc/32/14/35/1079321435.db2.gz NHEJBKQPGBWQIP-IRXDYDNUSA-N 1 2 418.519 2.060 20 0 HEADLO Cc1cnc(S(C)(=O)=O)nc1N[C@H]1C[C@@H](C(=O)OCc2ccccc2)CCC[NH2+]1 ZINC001169518424 1079328828 /nfs/dbraw/zinc/32/88/28/1079328828.db2.gz ZBVJKUNFJSSTEM-IRXDYDNUSA-N 1 2 418.519 2.060 20 0 HEADLO CC(C)(C)OC(=O)N1CC[N@@H+]([C@@H]2CCCN(C(=O)c3ccccc3)C2)[C@H](CO)C1 ZINC001169761287 1079399046 /nfs/dbraw/zinc/39/90/46/1079399046.db2.gz BBRLFFIRZFNJOQ-MOPGFXCFSA-N 1 2 403.523 2.205 20 0 HEADLO CC(C)(C)OC(=O)N1CC[N@H+]([C@@H]2CCCN(C(=O)c3ccccc3)C2)[C@H](CO)C1 ZINC001169761287 1079399051 /nfs/dbraw/zinc/39/90/51/1079399051.db2.gz BBRLFFIRZFNJOQ-MOPGFXCFSA-N 1 2 403.523 2.205 20 0 HEADLO C[C@H](C(=O)Nc1nccs1)[N@H+](C)Cc1cccc(N2C[C@H](C)CS2(=O)=O)c1 ZINC001169809675 1079427446 /nfs/dbraw/zinc/42/74/46/1079427446.db2.gz BXFOIJORZXGUIE-UONOGXRCSA-N 1 2 408.549 2.388 20 0 HEADLO C[C@H](C(=O)Nc1nccs1)[N@@H+](C)Cc1cccc(N2C[C@H](C)CS2(=O)=O)c1 ZINC001169809675 1079427447 /nfs/dbraw/zinc/42/74/47/1079427447.db2.gz BXFOIJORZXGUIE-UONOGXRCSA-N 1 2 408.549 2.388 20 0 HEADLO COc1ccc2c(c1)NC(=O)C[C@@H]2CNc1ccc(OCC[NH+]2CCOCC2)nc1 ZINC001169925600 1079486513 /nfs/dbraw/zinc/48/65/13/1079486513.db2.gz SNYRMJNVZOBWRJ-MRXNPFEDSA-N 1 2 412.490 2.339 20 0 HEADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)c2cnn(-c3ccc(F)cc3)n2)CC1 ZINC000737493487 1075910735 /nfs/dbraw/zinc/91/07/35/1075910735.db2.gz GQVXUJPPSSSFTM-UHFFFAOYSA-N 1 2 408.437 2.046 20 0 HEADLO O=C(/C=C\c1ccc(Cl)s1)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000737750994 1075922632 /nfs/dbraw/zinc/92/26/32/1075922632.db2.gz KCQKUGBWARXKKG-RQOWECAXSA-N 1 2 419.938 2.390 20 0 HEADLO O=C(/C=C\c1ccc(Cl)s1)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000737750994 1075922640 /nfs/dbraw/zinc/92/26/40/1075922640.db2.gz KCQKUGBWARXKKG-RQOWECAXSA-N 1 2 419.938 2.390 20 0 HEADLO CCc1ccc(C[NH+]2CCN(C(=O)c3ccc(F)c(S(N)(=O)=O)c3)CC2)s1 ZINC000737934280 1075939542 /nfs/dbraw/zinc/93/95/42/1075939542.db2.gz IZPDYMBXFFYSFA-UHFFFAOYSA-N 1 2 411.524 2.055 20 0 HEADLO C[C@H](c1ccccc1Cl)[NH+]1CCN(Cn2cc(S(=O)(=O)N(C)C)cn2)CC1 ZINC000738018356 1075951339 /nfs/dbraw/zinc/95/13/39/1075951339.db2.gz BWUXLNFXKWNKAM-OAHLLOKOSA-N 1 2 411.959 2.123 20 0 HEADLO CCCCCC[C@@]1(C)NC(=O)N(C[NH+]2CCC(C(=O)Nc3nncs3)CC2)C1=O ZINC000738030237 1075954681 /nfs/dbraw/zinc/95/46/81/1075954681.db2.gz VGWNGMQRCQSYGX-LJQANCHMSA-N 1 2 422.555 2.427 20 0 HEADLO CC(C)OCCCNC(=O)C1CC[NH+](CN2C(=O)NC3(CCC(C)CC3)C2=O)CC1 ZINC000738074512 1075958038 /nfs/dbraw/zinc/95/80/38/1075958038.db2.gz ANAPFLDYRAAFNZ-UHFFFAOYSA-N 1 2 422.570 2.088 20 0 HEADLO CC[N@H+](CCC(=O)OC)CN1C(=O)N[C@@](C)(c2ccc(C(F)(F)F)cc2)C1=O ZINC000738096091 1075960342 /nfs/dbraw/zinc/96/03/42/1075960342.db2.gz GTKSCDRXORBKNM-KRWDZBQOSA-N 1 2 401.385 2.315 20 0 HEADLO CC[N@@H+](CCC(=O)OC)CN1C(=O)N[C@@](C)(c2ccc(C(F)(F)F)cc2)C1=O ZINC000738096091 1075960347 /nfs/dbraw/zinc/96/03/47/1075960347.db2.gz GTKSCDRXORBKNM-KRWDZBQOSA-N 1 2 401.385 2.315 20 0 HEADLO CC[N@H+](CCC(=O)OC)CN1C(=O)N[C@](C)(c2ccc(OC(F)(F)F)cc2)C1=O ZINC000738099566 1075961008 /nfs/dbraw/zinc/96/10/08/1075961008.db2.gz NDYXJJCWGUZTQH-QGZVFWFLSA-N 1 2 417.384 2.195 20 0 HEADLO CC[N@@H+](CCC(=O)OC)CN1C(=O)N[C@](C)(c2ccc(OC(F)(F)F)cc2)C1=O ZINC000738099566 1075961009 /nfs/dbraw/zinc/96/10/09/1075961009.db2.gz NDYXJJCWGUZTQH-QGZVFWFLSA-N 1 2 417.384 2.195 20 0 HEADLO C[C@@H]1C[N@H+](CN2C(=O)N[C@](C)(c3ccc(OC(F)(F)F)cc3)C2=O)CCCO1 ZINC000738162226 1075971214 /nfs/dbraw/zinc/97/12/14/1075971214.db2.gz PBDHOWUYIXSVNV-SJKOYZFVSA-N 1 2 401.385 2.421 20 0 HEADLO C[C@@H]1C[N@@H+](CN2C(=O)N[C@](C)(c3ccc(OC(F)(F)F)cc3)C2=O)CCCO1 ZINC000738162226 1075971220 /nfs/dbraw/zinc/97/12/20/1075971220.db2.gz PBDHOWUYIXSVNV-SJKOYZFVSA-N 1 2 401.385 2.421 20 0 HEADLO CC(C)N1C(=O)C(=O)N(C[NH+]2CCC(C(=O)Nc3ccc(F)c(Cl)c3)CC2)C1=O ZINC000738241000 1075980171 /nfs/dbraw/zinc/98/01/71/1075980171.db2.gz FKWKIJYOAFJQOT-UHFFFAOYSA-N 1 2 424.860 2.286 20 0 HEADLO CCc1ccc(C[NH+]2CCN(C(=O)NCc3ccc(-n4cncn4)nc3)CC2)s1 ZINC000738457695 1076003108 /nfs/dbraw/zinc/00/31/08/1076003108.db2.gz VXXJDFBLYARCHB-UHFFFAOYSA-N 1 2 411.535 2.314 20 0 HEADLO C[C@H]1CCN(S(=O)(=O)CCNC(=O)OCc2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000771779923 1079502172 /nfs/dbraw/zinc/50/21/72/1079502172.db2.gz JMDJBEFGGXKNMM-FUHWJXTLSA-N 1 2 406.508 2.022 20 0 HEADLO COC(=O)C1=NOC2(C1)CC[NH+](CC(=O)Nc1nc(-c3ccco3)cs1)CC2 ZINC000771780495 1079502498 /nfs/dbraw/zinc/50/24/98/1079502498.db2.gz OIRDMOAYVMFOMC-UHFFFAOYSA-N 1 2 404.448 2.126 20 0 HEADLO O=C(NCC1CCN(S(=O)(=O)C(F)(F)F)CC1)Nc1ccc2[nH+]ccn2c1 ZINC000738947327 1076027422 /nfs/dbraw/zinc/02/74/22/1076027422.db2.gz AKQBLBWADLNRGM-UHFFFAOYSA-N 1 2 405.402 2.017 20 0 HEADLO O=C(C[N@@H+]1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1)Nc1ccc(N2CCOCC2)cc1 ZINC000766253569 1076173020 /nfs/dbraw/zinc/17/30/20/1076173020.db2.gz YKYHTITXDJYAOF-QGZVFWFLSA-N 1 2 410.522 2.337 20 0 HEADLO O=C(C[N@H+]1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1)Nc1ccc(N2CCOCC2)cc1 ZINC000766253569 1076173033 /nfs/dbraw/zinc/17/30/33/1076173033.db2.gz YKYHTITXDJYAOF-QGZVFWFLSA-N 1 2 410.522 2.337 20 0 HEADLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)C(=O)Nc1ccc(O[C@H]2CCOC2)cc1 ZINC000740495804 1076174220 /nfs/dbraw/zinc/17/42/20/1076174220.db2.gz RYFPRJKTRQLTMB-FQEVSTJZSA-N 1 2 406.442 2.295 20 0 HEADLO C[C@H](c1cccc(NC(=O)C(=O)NC[C@@](C)(O)c2cccs2)c1)[NH+]1CCOCC1 ZINC000740524415 1076205589 /nfs/dbraw/zinc/20/55/89/1076205589.db2.gz ZKXHPXJPDYYSRL-QVKFZJNVSA-N 1 2 417.531 2.104 20 0 HEADLO COC(=O)NCCCC(=O)N1CCC[N@H+](Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000740713594 1076215604 /nfs/dbraw/zinc/21/56/04/1076215604.db2.gz RIHCZVIIVQXUFL-UHFFFAOYSA-N 1 2 407.902 2.158 20 0 HEADLO COC(=O)NCCCC(=O)N1CCC[N@@H+](Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000740713594 1076215610 /nfs/dbraw/zinc/21/56/10/1076215610.db2.gz RIHCZVIIVQXUFL-UHFFFAOYSA-N 1 2 407.902 2.158 20 0 HEADLO C[C@@H](CNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)Cn1cc[nH+]c1 ZINC000740727398 1076217714 /nfs/dbraw/zinc/21/77/14/1076217714.db2.gz NZTVKPRVLXDOPW-AWEZNQCLSA-N 1 2 410.927 2.387 20 0 HEADLO CC[N@@H+]1C[C@H](C)N(CC(=O)N(c2ccc(C)c(C)c2)[C@@H]2C=CS(=O)(=O)C2)C[C@@H]1C ZINC000766255408 1076235565 /nfs/dbraw/zinc/23/55/65/1076235565.db2.gz XSIQTSRMGUKIES-IRFCIJBXSA-N 1 2 419.591 2.362 20 0 HEADLO CC[N@H+]1C[C@H](C)N(CC(=O)N(c2ccc(C)c(C)c2)[C@@H]2C=CS(=O)(=O)C2)C[C@@H]1C ZINC000766255408 1076235569 /nfs/dbraw/zinc/23/55/69/1076235569.db2.gz XSIQTSRMGUKIES-IRFCIJBXSA-N 1 2 419.591 2.362 20 0 HEADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)CSC2=Nc3ccccc3C2)CC1 ZINC000740766523 1076237296 /nfs/dbraw/zinc/23/72/96/1076237296.db2.gz QUHQEVKTFXEPGY-UHFFFAOYSA-N 1 2 407.503 2.031 20 0 HEADLO C[C@H]1CN(C(=O)C2CC[NH+](Cc3nccn3C)CC2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000740830146 1076251932 /nfs/dbraw/zinc/25/19/32/1076251932.db2.gz PASLVBGGYUGHCW-WMZOPIPTSA-N 1 2 419.570 2.394 20 0 HEADLO C[C@](O)(CNC(=O)NCc1ccccc1OCC[NH+]1CCOCC1)c1ccsc1 ZINC000740911047 1076303115 /nfs/dbraw/zinc/30/31/15/1076303115.db2.gz XBPOPNCQNROBQZ-NRFANRHFSA-N 1 2 419.547 2.166 20 0 HEADLO O=C(NCc1cccc(OCC[NH+]2CCOCC2)c1)N[C@@H](CCO)c1cccs1 ZINC000741080994 1076356996 /nfs/dbraw/zinc/35/69/96/1076356996.db2.gz PATUNJIBZASTIN-IBGZPJMESA-N 1 2 419.547 2.382 20 0 HEADLO CCOC(=O)C1C(COC(=O)[C@H]2CCCC[N@@H+]2CC)=NC(=O)N[C@@H]1c1ccccc1 ZINC000741146950 1076392240 /nfs/dbraw/zinc/39/22/40/1076392240.db2.gz RJFHIWDUXWKYQT-IEBWSBKVSA-N 1 2 415.490 2.275 20 0 HEADLO CCOC(=O)C1C(COC(=O)[C@H]2CCCC[N@H+]2CC)=NC(=O)N[C@@H]1c1ccccc1 ZINC000741146950 1076392241 /nfs/dbraw/zinc/39/22/41/1076392241.db2.gz RJFHIWDUXWKYQT-IEBWSBKVSA-N 1 2 415.490 2.275 20 0 HEADLO O=C(COC(=O)c1ccccc1Cn1cccn1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000741348986 1076490676 /nfs/dbraw/zinc/49/06/76/1076490676.db2.gz SNGAXBHZWFCKRO-UHFFFAOYSA-N 1 2 424.526 2.494 20 0 HEADLO COc1cccc(CNC(=O)COC(=O)C[C@H]2C[N@H+](Cc3ccccc3)CCO2)c1 ZINC000741351210 1076492144 /nfs/dbraw/zinc/49/21/44/1076492144.db2.gz FSMUFLRREJRCEN-NRFANRHFSA-N 1 2 412.486 2.146 20 0 HEADLO COc1cccc(CNC(=O)COC(=O)C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c1 ZINC000741351210 1076492149 /nfs/dbraw/zinc/49/21/49/1076492149.db2.gz FSMUFLRREJRCEN-NRFANRHFSA-N 1 2 412.486 2.146 20 0 HEADLO CC(C)[C@@H](OC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1)C(=O)NCc1ccco1 ZINC000741388136 1076495645 /nfs/dbraw/zinc/49/56/45/1076495645.db2.gz RCDPFXSPGAFUKD-WOJBJXKFSA-N 1 2 400.475 2.365 20 0 HEADLO CC(C)[C@@H](OC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1)C(=O)NCc1ccco1 ZINC000741388136 1076495650 /nfs/dbraw/zinc/49/56/50/1076495650.db2.gz RCDPFXSPGAFUKD-WOJBJXKFSA-N 1 2 400.475 2.365 20 0 HEADLO O=C(OCc1cc(=O)n2cc(Cl)ccc2n1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000741384616 1076508443 /nfs/dbraw/zinc/50/84/43/1076508443.db2.gz DFOBWTXUBXKBQN-GOSISDBHSA-N 1 2 413.861 2.292 20 0 HEADLO O=C(OCc1cc(=O)n2cc(Cl)ccc2n1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000741384616 1076508447 /nfs/dbraw/zinc/50/84/47/1076508447.db2.gz DFOBWTXUBXKBQN-GOSISDBHSA-N 1 2 413.861 2.292 20 0 HEADLO CN(Cc1ccc(F)cc1)C(=O)COC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000741385505 1076509700 /nfs/dbraw/zinc/50/97/00/1076509700.db2.gz RMBDKHVSIBWHCD-HXUWFJFHSA-N 1 2 400.450 2.228 20 0 HEADLO CN(Cc1ccc(F)cc1)C(=O)COC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000741385505 1076509704 /nfs/dbraw/zinc/50/97/04/1076509704.db2.gz RMBDKHVSIBWHCD-HXUWFJFHSA-N 1 2 400.450 2.228 20 0 HEADLO CCN1C[C@H](C[N@H+](C)[C@H](C)C(=O)Nc2sccc2C(N)=O)Oc2ccccc21 ZINC000741614676 1076555867 /nfs/dbraw/zinc/55/58/67/1076555867.db2.gz FZMUGYVOGUMPTE-KGLIPLIRSA-N 1 2 402.520 2.393 20 0 HEADLO CCN1C[C@H](C[N@@H+](C)[C@H](C)C(=O)Nc2sccc2C(N)=O)Oc2ccccc21 ZINC000741614676 1076555880 /nfs/dbraw/zinc/55/58/80/1076555880.db2.gz FZMUGYVOGUMPTE-KGLIPLIRSA-N 1 2 402.520 2.393 20 0 HEADLO COCCCn1c(=O)c2ccc(C(=O)N(C)[C@@H]3CC[N@H+](C)C[C@@H]3C)cc2[nH]c1=S ZINC000741705778 1076599592 /nfs/dbraw/zinc/59/95/92/1076599592.db2.gz UKESIFUDINODGK-KBXCAEBGSA-N 1 2 418.563 2.134 20 0 HEADLO COCCCn1c(=O)c2ccc(C(=O)N(C)[C@@H]3CC[N@@H+](C)C[C@@H]3C)cc2[nH]c1=S ZINC000741705778 1076599597 /nfs/dbraw/zinc/59/95/97/1076599597.db2.gz UKESIFUDINODGK-KBXCAEBGSA-N 1 2 418.563 2.134 20 0 HEADLO CCOC(=O)C1=C(C[NH+]2CCC(O)(c3cccc(C)c3C)CC2)NC(=O)N[C@@H]1C ZINC000741805375 1076643488 /nfs/dbraw/zinc/64/34/88/1076643488.db2.gz PYBOBPPIGKQULY-MRXNPFEDSA-N 1 2 401.507 2.105 20 0 HEADLO CN(C)c1ccc([NH+]2CCC(NC(=O)CN3C(=O)[C@@H]4CCCC[C@@H]4C3=O)CC2)cc1 ZINC000741982502 1076702419 /nfs/dbraw/zinc/70/24/19/1076702419.db2.gz USOIPFQHHFLJCZ-BGYRXZFFSA-N 1 2 412.534 2.013 20 0 HEADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)c2ncoc2-c2ccccc2Cl)CC1 ZINC000742073073 1076735450 /nfs/dbraw/zinc/73/54/50/1076735450.db2.gz RMLNQKPOHAJAJW-UHFFFAOYSA-N 1 2 411.911 2.234 20 0 HEADLO CN(C(=O)C[NH+]1CCN(c2ccccn2)CC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000742244633 1076804886 /nfs/dbraw/zinc/80/48/86/1076804886.db2.gz OIROGBRAPNCYNJ-UHFFFAOYSA-N 1 2 417.554 2.062 20 0 HEADLO C[C@H]1CN(C(=O)C[NH2+][C@H](c2ccc(F)cc2)c2cccc(S(C)(=O)=O)c2)CCO1 ZINC000742262861 1076810848 /nfs/dbraw/zinc/81/08/48/1076810848.db2.gz DZEJDZWRLOPNIF-YCRPNKLZSA-N 1 2 420.506 2.156 20 0 HEADLO Cc1noc(C)c1C[NH+]1CCN(CN2C(=O)N[C@@]3(C2=O)[C@H](C)CCC[C@@H]3C)CC1 ZINC000742547743 1076850924 /nfs/dbraw/zinc/85/09/24/1076850924.db2.gz NVGBCSLREIALLG-PBFBIOBFSA-N 1 2 403.527 2.113 20 0 HEADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)c2cc(C3CC3)nc3ccc(F)cc32)CC1 ZINC000742656185 1076865212 /nfs/dbraw/zinc/86/52/12/1076865212.db2.gz BWNVETXWCFVNNI-UHFFFAOYSA-N 1 2 419.522 2.490 20 0 HEADLO Cc1[nH]c2nn(C)c(=O)c-2c(C)c1CC(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000742859023 1076889548 /nfs/dbraw/zinc/88/95/48/1076889548.db2.gz QZHNDZTZVIHKNV-GOSISDBHSA-N 1 2 418.501 2.255 20 0 HEADLO CN(C)c1ccc([NH+]2CCC(NC(=O)Nc3ccc(OCC(N)=O)cc3)CC2)cc1 ZINC000743095198 1076952180 /nfs/dbraw/zinc/95/21/80/1076952180.db2.gz IBUZRMOOGQLGHB-UHFFFAOYSA-N 1 2 411.506 2.407 20 0 HEADLO CCc1ccc(N2CCN(C(=O)Nc3ccn(CC[NH+]4CCOCC4)n3)CC2)cc1 ZINC000743169158 1076986038 /nfs/dbraw/zinc/98/60/38/1076986038.db2.gz QQTBISJYXLHYDY-UHFFFAOYSA-N 1 2 412.538 2.132 20 0 HEADLO O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)Nc1ccn(Cc2ccccn2)n1 ZINC000743170150 1076986910 /nfs/dbraw/zinc/98/69/10/1076986910.db2.gz TXOQCWOWVNXCGE-HXUWFJFHSA-N 1 2 406.490 2.349 20 0 HEADLO O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)Nc1ccn(Cc2ccccn2)n1 ZINC000743170150 1076986933 /nfs/dbraw/zinc/98/69/33/1076986933.db2.gz TXOQCWOWVNXCGE-HXUWFJFHSA-N 1 2 406.490 2.349 20 0 HEADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)Nc2ccc(CC(F)(F)F)cc2)CC1 ZINC000743189178 1077002536 /nfs/dbraw/zinc/00/25/36/1077002536.db2.gz IHPQWPXAKMGCIH-UHFFFAOYSA-N 1 2 407.458 2.422 20 0 HEADLO CS(=O)(=O)CCOc1ccc(Cl)cc1NC(=O)NCCCn1cc[nH+]c1 ZINC000743237335 1077011578 /nfs/dbraw/zinc/01/15/78/1077011578.db2.gz GNKIDIXKPMZIDC-UHFFFAOYSA-N 1 2 400.888 2.172 20 0 HEADLO C[C@@H]1C[N@@H+](CN2C(=O)N[C@@](C)(c3cccc(N4CCOC4=O)c3)C2=O)C[C@H](C)S1 ZINC000743374550 1077033103 /nfs/dbraw/zinc/03/31/03/1077033103.db2.gz DUXWMTDEXFGCIQ-MNVSYLFESA-N 1 2 418.519 2.194 20 0 HEADLO C[C@@H]1C[N@H+](CN2C(=O)N[C@@](C)(c3cccc(N4CCOC4=O)c3)C2=O)C[C@H](C)S1 ZINC000743374550 1077033108 /nfs/dbraw/zinc/03/31/08/1077033108.db2.gz DUXWMTDEXFGCIQ-MNVSYLFESA-N 1 2 418.519 2.194 20 0 HEADLO COC1CC[NH+](CN2C(=O)N[C@]3(CCCC[C@@H]3CNC(=O)OC(C)(C)C)C2=O)CC1 ZINC000743348223 1077036078 /nfs/dbraw/zinc/03/60/78/1077036078.db2.gz IBIBOCKWOCFGSV-VFNWGFHPSA-N 1 2 424.542 2.060 20 0 HEADLO CNC(=O)C1CCC(NC(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)CC1 ZINC000743569772 1077070980 /nfs/dbraw/zinc/07/09/80/1077070980.db2.gz QKICMFRXOQDJHE-UHFFFAOYSA-N 1 2 401.555 2.325 20 0 HEADLO C[C@@H]1CN(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CC[C@H]1c1ccccc1 ZINC000743601495 1077078824 /nfs/dbraw/zinc/07/88/24/1077078824.db2.gz DFKBGIRHFLPVEL-YLJYHZDGSA-N 1 2 407.580 2.331 20 0 HEADLO C[C@H](NC(=O)N[C@@H]1CCCC[C@@H]1CNC(=O)OC(C)(C)C)[C@H](C)[NH+]1CCOCC1 ZINC000743627081 1077082853 /nfs/dbraw/zinc/08/28/53/1077082853.db2.gz SFXLOZKFVBDCCD-WNRNVDISSA-N 1 2 412.575 2.478 20 0 HEADLO Cc1ccc(N2CC[C@H](NC(=O)[C@H](c3ccccc3)[NH+]3CCC(O)CC3)C2=O)cc1 ZINC000743634566 1077084779 /nfs/dbraw/zinc/08/47/79/1077084779.db2.gz YOCIJUMWMJNIGG-VXKWHMMOSA-N 1 2 407.514 2.415 20 0 HEADLO COc1ccc(C(=O)NCC(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)cc1 ZINC000743700590 1077093189 /nfs/dbraw/zinc/09/31/89/1077093189.db2.gz GAOXOYUKGGUCJN-UHFFFAOYSA-N 1 2 410.518 2.276 20 0 HEADLO O=C(CCN1C(=S)N=NC1c1cccs1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000743728268 1077097666 /nfs/dbraw/zinc/09/76/66/1077097666.db2.gz MZXOKGROVQRIMV-AWEZNQCLSA-N 1 2 407.565 2.009 20 0 HEADLO Cc1ccc(N2CCOC2=O)cc1NC(=O)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000743898316 1077210683 /nfs/dbraw/zinc/21/06/83/1077210683.db2.gz FPSHLGMOQKDZJC-UHFFFAOYSA-N 1 2 419.441 2.392 20 0 HEADLO CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)NCC[C@@H](O)c3ccccc3)cc2)CC1 ZINC000743976902 1077291265 /nfs/dbraw/zinc/29/12/65/1077291265.db2.gz BPCYPTWCBFDBLH-JOCHJYFZSA-N 1 2 424.545 2.003 20 0 HEADLO CCC(CC)(CNC(=O)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1)SC ZINC000743984020 1077296204 /nfs/dbraw/zinc/29/62/04/1077296204.db2.gz MSEHOAMABWEKCZ-UHFFFAOYSA-N 1 2 406.596 2.411 20 0 HEADLO Cc1nnnn1/C(=C\c1ccccc1)C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000744388250 1077372633 /nfs/dbraw/zinc/37/26/33/1077372633.db2.gz FQMHODMSRNULNU-JCMHNJIXSA-N 1 2 418.501 2.128 20 0 HEADLO O=C(C[N@@H+]1CCc2c(cccc2N2CCOC2=O)C1)NC(=O)NCc1ccccc1 ZINC000744413805 1077377955 /nfs/dbraw/zinc/37/79/55/1077377955.db2.gz JZKPLDNEEZENGC-UHFFFAOYSA-N 1 2 408.458 2.027 20 0 HEADLO O=C(C[N@H+]1CCc2c(cccc2N2CCOC2=O)C1)NC(=O)NCc1ccccc1 ZINC000744413805 1077377961 /nfs/dbraw/zinc/37/79/61/1077377961.db2.gz JZKPLDNEEZENGC-UHFFFAOYSA-N 1 2 408.458 2.027 20 0 HEADLO C[C@H](C(=O)NC(=O)NCc1ccccc1)[N@@H+]1CCc2c(cccc2N2CCOC2=O)C1 ZINC000744412559 1077385045 /nfs/dbraw/zinc/38/50/45/1077385045.db2.gz RMYLBQLMTFXJEO-MRXNPFEDSA-N 1 2 422.485 2.416 20 0 HEADLO C[C@H](C(=O)NC(=O)NCc1ccccc1)[N@H+]1CCc2c(cccc2N2CCOC2=O)C1 ZINC000744412559 1077385051 /nfs/dbraw/zinc/38/50/51/1077385051.db2.gz RMYLBQLMTFXJEO-MRXNPFEDSA-N 1 2 422.485 2.416 20 0 HEADLO CC[N@@H+]1CCCC[C@@H]1C(=O)OCC(=O)N1CCC(NC(=O)c2ccccc2C)CC1 ZINC000745084072 1077723530 /nfs/dbraw/zinc/72/35/30/1077723530.db2.gz FTVGYLYVWVFEBY-HXUWFJFHSA-N 1 2 415.534 2.133 20 0 HEADLO CC[N@H+]1CCCC[C@@H]1C(=O)OCC(=O)N1CCC(NC(=O)c2ccccc2C)CC1 ZINC000745084072 1077723540 /nfs/dbraw/zinc/72/35/40/1077723540.db2.gz FTVGYLYVWVFEBY-HXUWFJFHSA-N 1 2 415.534 2.133 20 0 HEADLO COC(=O)C1CCN(C(=O)[C@@H](C)OC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)CC1 ZINC000745105359 1077740366 /nfs/dbraw/zinc/74/03/66/1077740366.db2.gz SXJPNWGNWSBPTR-XLIONFOSSA-N 1 2 416.518 2.384 20 0 HEADLO COC(=O)C1CCN(C(=O)[C@@H](C)OC(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC000745105359 1077740373 /nfs/dbraw/zinc/74/03/73/1077740373.db2.gz SXJPNWGNWSBPTR-XLIONFOSSA-N 1 2 416.518 2.384 20 0 HEADLO COc1cccc(F)c1C(=O)OCC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000745314122 1077806215 /nfs/dbraw/zinc/80/62/15/1077806215.db2.gz CNQGRYHBFNEFEH-UHFFFAOYSA-N 1 2 416.449 2.140 20 0 HEADLO COc1cc2c(cc1OC)CC[NH+]([C@@H](C)C(=O)Nc1sccc1C(N)=O)CC2 ZINC000771796319 1079511845 /nfs/dbraw/zinc/51/18/45/1079511845.db2.gz MMDTZXZOAROHHL-LBPRGKRZSA-N 1 2 403.504 2.292 20 0 HEADLO COc1cc2nc(C[N@@H+]3CCC[C@@H]3C[C@H](O)c3cnn(C)c3)[nH]c(=O)c2cc1OC ZINC000766947260 1079538271 /nfs/dbraw/zinc/53/82/71/1079538271.db2.gz SCSYRMYTYXZOAR-PBHICJAKSA-N 1 2 413.478 2.174 20 0 HEADLO COc1cc2nc(C[N@H+]3CCC[C@@H]3C[C@H](O)c3cnn(C)c3)[nH]c(=O)c2cc1OC ZINC000766947260 1079538284 /nfs/dbraw/zinc/53/82/84/1079538284.db2.gz SCSYRMYTYXZOAR-PBHICJAKSA-N 1 2 413.478 2.174 20 0 HEADLO Cn1cc([C@H](O)C[C@H]2CCC[N@@H+]2Cc2nnnn2-c2ccc(OC(F)F)cc2)cn1 ZINC000766949267 1079542330 /nfs/dbraw/zinc/54/23/30/1079542330.db2.gz YUTRGEDIEKRCDR-NVXWUHKLSA-N 1 2 419.436 2.085 20 0 HEADLO Cn1cc([C@H](O)C[C@H]2CCC[N@H+]2Cc2nnnn2-c2ccc(OC(F)F)cc2)cn1 ZINC000766949267 1079542349 /nfs/dbraw/zinc/54/23/49/1079542349.db2.gz YUTRGEDIEKRCDR-NVXWUHKLSA-N 1 2 419.436 2.085 20 0 HEADLO CCC[C@@H]1CCc2c(sc(=O)n2C[NH+]2CCC(C(=O)NCC(=O)OCC)CC2)C1 ZINC000771864053 1079555567 /nfs/dbraw/zinc/55/55/67/1079555567.db2.gz DVCAHFTUEMCLRY-OAHLLOKOSA-N 1 2 423.579 2.164 20 0 HEADLO O=C(OCCn1cc[nH+]c1)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1 ZINC000771869783 1079558976 /nfs/dbraw/zinc/55/89/76/1079558976.db2.gz ZKYWBINHIJYQDJ-UHFFFAOYSA-N 1 2 411.483 2.487 20 0 HEADLO Cn1cc([C@H](O)C[C@@H]2CCC[N@@H+]2[C@@H](C(N)=O)c2cccc(Br)c2)cn1 ZINC000766965472 1079560518 /nfs/dbraw/zinc/56/05/18/1079560518.db2.gz ZYLVYWDKILADOW-GVDBMIGSSA-N 1 2 407.312 2.297 20 0 HEADLO Cn1cc([C@H](O)C[C@@H]2CCC[N@H+]2[C@@H](C(N)=O)c2cccc(Br)c2)cn1 ZINC000766965472 1079560533 /nfs/dbraw/zinc/56/05/33/1079560533.db2.gz ZYLVYWDKILADOW-GVDBMIGSSA-N 1 2 407.312 2.297 20 0 HEADLO O=C(CCCS(=O)(=O)c1ccc(Br)cc1)OCCn1cc[nH+]c1 ZINC000771958600 1079603380 /nfs/dbraw/zinc/60/33/80/1079603380.db2.gz OKIAROFHVNHYRI-UHFFFAOYSA-N 1 2 401.282 2.443 20 0 HEADLO Cc1cc[nH+]c(N2CCN([C@@H](C)C(=O)Nc3ccc(N4CCOCC4)cc3)CC2)c1 ZINC000767069140 1079640866 /nfs/dbraw/zinc/64/08/66/1079640866.db2.gz RKPKIHJPUISINT-IBGZPJMESA-N 1 2 409.534 2.376 20 0 HEADLO COC(=O)/C=C1/SCC(=O)N1CCC[N@@H+]1CCO[C@@H](c2cccc(OC)c2)C1 ZINC000767073907 1079645955 /nfs/dbraw/zinc/64/59/55/1079645955.db2.gz GWKJEDLQYZZNGF-MIQLPHMESA-N 1 2 406.504 2.048 20 0 HEADLO COC(=O)/C=C1/SCC(=O)N1CCC[N@H+]1CCO[C@@H](c2cccc(OC)c2)C1 ZINC000767073907 1079645960 /nfs/dbraw/zinc/64/59/60/1079645960.db2.gz GWKJEDLQYZZNGF-MIQLPHMESA-N 1 2 406.504 2.048 20 0 HEADLO C[C@H](C[NH+]1CCOCC1)C(=O)Nc1nc2c(s1)CN(C(=O)OC(C)(C)C)CC2 ZINC000767171738 1079706414 /nfs/dbraw/zinc/70/64/14/1079706414.db2.gz SVYPWPHKPOZOBJ-CYBMUJFWSA-N 1 2 410.540 2.343 20 0 HEADLO CC(C)(C)OC(=O)N1CCSC[C@H]1CC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000772101945 1079726327 /nfs/dbraw/zinc/72/63/27/1079726327.db2.gz SJKZAMKALQYZCZ-DLBZAZTESA-N 1 2 413.584 2.052 20 0 HEADLO C[N@H+](CC(=O)Nc1ccccc1C(=O)NCc1ccccc1)C1(C(N)=O)CCCC1 ZINC000772226614 1079750133 /nfs/dbraw/zinc/75/01/33/1079750133.db2.gz AZSJFPYFCIQVQR-UHFFFAOYSA-N 1 2 408.502 2.285 20 0 HEADLO C[N@@H+](CC(=O)Nc1ccccc1C(=O)NCc1ccccc1)C1(C(N)=O)CCCC1 ZINC000772226614 1079750143 /nfs/dbraw/zinc/75/01/43/1079750143.db2.gz AZSJFPYFCIQVQR-UHFFFAOYSA-N 1 2 408.502 2.285 20 0 HEADLO CC(=O)C(C)(C)CCC(=O)OCC(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000772289967 1079795549 /nfs/dbraw/zinc/79/55/49/1079795549.db2.gz LESFCZDQCKADTB-UHFFFAOYSA-N 1 2 418.538 2.496 20 0 HEADLO NC(=O)c1cc(OC2CC[NH+]([C@@H](C(=O)NC3CC3)c3ccc(F)cc3)CC2)ccn1 ZINC000772333270 1079827669 /nfs/dbraw/zinc/82/76/69/1079827669.db2.gz PRSJMZOXBWHZIW-HXUWFJFHSA-N 1 2 412.465 2.183 20 0 HEADLO CN1CCN(c2cc(N[C@@H](CNC(=O)OC(C)(C)C)C3CCCC3)[nH+]cn2)CC1=O ZINC000767409509 1079836526 /nfs/dbraw/zinc/83/65/26/1079836526.db2.gz GKWLZNMHQQFDDE-INIZCTEOSA-N 1 2 418.542 2.250 20 0 HEADLO CN1CCN(c2cc(N[C@@H](CNC(=O)OC(C)(C)C)C3CCCC3)nc[nH+]2)CC1=O ZINC000767409509 1079836532 /nfs/dbraw/zinc/83/65/32/1079836532.db2.gz GKWLZNMHQQFDDE-INIZCTEOSA-N 1 2 418.542 2.250 20 0 HEADLO CCN(CC)C(=O)C[N@@H+]1CCCN(S(=O)(=O)C2=Cc3ccccc3OCC2)CC1 ZINC000772398288 1079839048 /nfs/dbraw/zinc/83/90/48/1079839048.db2.gz KQXPMNRAMOSNGW-UHFFFAOYSA-N 1 2 421.563 2.016 20 0 HEADLO CCN(CC)C(=O)C[N@H+]1CCCN(S(=O)(=O)C2=Cc3ccccc3OCC2)CC1 ZINC000772398288 1079839052 /nfs/dbraw/zinc/83/90/52/1079839052.db2.gz KQXPMNRAMOSNGW-UHFFFAOYSA-N 1 2 421.563 2.016 20 0 HEADLO COC(=O)C(C)(C)[C@H]1CCC[N@H+](CC(=O)Nc2sc3c(c2C(N)=O)CCC3)C1 ZINC000772373123 1079851847 /nfs/dbraw/zinc/85/18/47/1079851847.db2.gz GMLMDYLIIOUYSP-LBPRGKRZSA-N 1 2 407.536 2.185 20 0 HEADLO COC(=O)C(C)(C)[C@H]1CCC[N@@H+](CC(=O)Nc2sc3c(c2C(N)=O)CCC3)C1 ZINC000772373123 1079851854 /nfs/dbraw/zinc/85/18/54/1079851854.db2.gz GMLMDYLIIOUYSP-LBPRGKRZSA-N 1 2 407.536 2.185 20 0 HEADLO CC(=O)c1cccc(C(=O)OCC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)c1 ZINC000767434799 1079862781 /nfs/dbraw/zinc/86/27/81/1079862781.db2.gz OPCDKFYUUAGXQT-UHFFFAOYSA-N 1 2 422.481 2.325 20 0 HEADLO O=C(OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccc2c(c1)[nH]c(=O)n(-c1ccccc1)c2=O ZINC000767470298 1079871319 /nfs/dbraw/zinc/87/13/19/1079871319.db2.gz MJQKXCBZONRMOW-HDICACEKSA-N 1 2 421.453 2.111 20 0 HEADLO O=C(OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccc2c(c1)[nH]c(=O)n(-c1ccccc1)c2=O ZINC000767470298 1079871323 /nfs/dbraw/zinc/87/13/23/1079871323.db2.gz MJQKXCBZONRMOW-HDICACEKSA-N 1 2 421.453 2.111 20 0 HEADLO C[C@@H]1CCCCN1S(=O)(=O)c1cccc(C(=O)OCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000767449412 1079877448 /nfs/dbraw/zinc/87/74/48/1079877448.db2.gz FJXKTMBJHBLNJA-QRQLOZEOSA-N 1 2 422.547 2.270 20 0 HEADLO C[C@@H]1CCCCN1S(=O)(=O)c1cccc(C(=O)OCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000767449412 1079877453 /nfs/dbraw/zinc/87/74/53/1079877453.db2.gz FJXKTMBJHBLNJA-QRQLOZEOSA-N 1 2 422.547 2.270 20 0 HEADLO COc1ccc(-c2noc(CCCC(=O)OCC[N@H+]3C[C@H]4CC[C@@H](C3)O4)n2)cc1 ZINC000767482938 1079899516 /nfs/dbraw/zinc/89/95/16/1079899516.db2.gz PKPDBPQWFBEWLV-HDICACEKSA-N 1 2 401.463 2.474 20 0 HEADLO COc1ccc(-c2noc(CCCC(=O)OCC[N@@H+]3C[C@H]4CC[C@@H](C3)O4)n2)cc1 ZINC000767482938 1079899518 /nfs/dbraw/zinc/89/95/18/1079899518.db2.gz PKPDBPQWFBEWLV-HDICACEKSA-N 1 2 401.463 2.474 20 0 HEADLO CCOc1ccccc1C(=O)N1CCC[C@H]1C(=O)OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000767485886 1079901912 /nfs/dbraw/zinc/90/19/12/1079901912.db2.gz WAAPTGVMHRYLRO-SCTDSRPQSA-N 1 2 402.491 2.096 20 0 HEADLO CCOc1ccccc1C(=O)N1CCC[C@H]1C(=O)OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000767485886 1079901923 /nfs/dbraw/zinc/90/19/23/1079901923.db2.gz WAAPTGVMHRYLRO-SCTDSRPQSA-N 1 2 402.491 2.096 20 0 HEADLO C[C@@H]1CC[N@@H+]([C@H]2C[C@@H](C(=O)N3CCSC3)N(C(=O)OC(C)(C)C)C2)CCC1=O ZINC001170044561 1079925565 /nfs/dbraw/zinc/92/55/65/1079925565.db2.gz QXFUYFMHFFVMGC-PMPSAXMXSA-N 1 2 411.568 2.198 20 0 HEADLO C[C@@H]1CC[N@H+]([C@H]2C[C@@H](C(=O)N3CCSC3)N(C(=O)OC(C)(C)C)C2)CCC1=O ZINC001170044561 1079925575 /nfs/dbraw/zinc/92/55/75/1079925575.db2.gz QXFUYFMHFFVMGC-PMPSAXMXSA-N 1 2 411.568 2.198 20 0 HEADLO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1C(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000772582268 1079942224 /nfs/dbraw/zinc/94/22/24/1079942224.db2.gz XJAACTYMNGVTGJ-QZTJIDSGSA-N 1 2 417.554 2.108 20 0 HEADLO COc1ccc([C@H]2[C@H](C(=O)OCC[N@H+]3C[C@H]4CC[C@@H](C3)O4)CCC(=O)N2C)cc1 ZINC000767547922 1079954976 /nfs/dbraw/zinc/95/49/76/1079954976.db2.gz XVZULUJRKRVJFZ-HDAAZOAOSA-N 1 2 402.491 2.011 20 0 HEADLO COc1ccc([C@H]2[C@H](C(=O)OCC[N@@H+]3C[C@H]4CC[C@@H](C3)O4)CCC(=O)N2C)cc1 ZINC000767547922 1079954995 /nfs/dbraw/zinc/95/49/95/1079954995.db2.gz XVZULUJRKRVJFZ-HDAAZOAOSA-N 1 2 402.491 2.011 20 0 HEADLO Cc1nc(CC(=O)OCC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)c(C)s1 ZINC000767547448 1079956076 /nfs/dbraw/zinc/95/60/76/1079956076.db2.gz NNCZRKVHNXQWOC-UHFFFAOYSA-N 1 2 403.504 2.317 20 0 HEADLO O=C(OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)c1cccc(F)c1I ZINC000767578276 1079963559 /nfs/dbraw/zinc/96/35/59/1079963559.db2.gz WBUFHJWCYQYYSL-PHIMTYICSA-N 1 2 405.207 2.450 20 0 HEADLO O=C(OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)c1cccc(F)c1I ZINC000767578276 1079963591 /nfs/dbraw/zinc/96/35/91/1079963591.db2.gz WBUFHJWCYQYYSL-PHIMTYICSA-N 1 2 405.207 2.450 20 0 HEADLO O=C(Cc1ccccc1I)OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000767579306 1079964653 /nfs/dbraw/zinc/96/46/53/1079964653.db2.gz ULHDOXYYFKFCER-OKILXGFUSA-N 1 2 401.244 2.240 20 0 HEADLO O=C(Cc1ccccc1I)OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000767579306 1079964667 /nfs/dbraw/zinc/96/46/67/1079964667.db2.gz ULHDOXYYFKFCER-OKILXGFUSA-N 1 2 401.244 2.240 20 0 HEADLO COc1cc(CNC(=O)C(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)ccc1OC(F)F ZINC000785501807 1080023311 /nfs/dbraw/zinc/02/33/11/1080023311.db2.gz BCPFIQIOVBUNRF-CQSZACIVSA-N 1 2 422.432 2.053 20 0 HEADLO CC1(c2ccc(S(=O)(=O)NC3CCN(c4cccc[nH+]4)CC3)cc2)OCCO1 ZINC000767695784 1080027788 /nfs/dbraw/zinc/02/77/88/1080027788.db2.gz BCQCWJUYDIIIOJ-UHFFFAOYSA-N 1 2 403.504 2.248 20 0 HEADLO CC[C@H](SC)C(=O)OCC(=O)N1CC[NH+](Cc2cc(OC)c(OC)cc2C)CC1 ZINC000767677727 1080034857 /nfs/dbraw/zinc/03/48/57/1080034857.db2.gz RYTHDYBIGRMGSX-IBGZPJMESA-N 1 2 424.563 2.341 20 0 HEADLO CSC[C@@H]1CCC[N@@H+]1Cn1nc(N2CCOCC2)n(C[C@H]2CCCO2)c1=S ZINC000767771161 1080079097 /nfs/dbraw/zinc/07/90/97/1080079097.db2.gz OYJDJVRYNIQMDU-JKSUJKDBSA-N 1 2 413.613 2.215 20 0 HEADLO CSC[C@@H]1CCC[N@H+]1Cn1nc(N2CCOCC2)n(C[C@H]2CCCO2)c1=S ZINC000767771161 1080079101 /nfs/dbraw/zinc/07/91/01/1080079101.db2.gz OYJDJVRYNIQMDU-JKSUJKDBSA-N 1 2 413.613 2.215 20 0 HEADLO CC[C@]1(c2ccc(OC)cc2)NC(=O)N(C[N@@H+]2CCS[C@@H]3COCC[C@H]32)C1=O ZINC000767784072 1080091320 /nfs/dbraw/zinc/09/13/20/1080091320.db2.gz BBKMVIIESAMYAI-MBOZVWFJSA-N 1 2 405.520 2.016 20 0 HEADLO CC[C@]1(c2ccc(OC)cc2)NC(=O)N(C[N@H+]2CCS[C@@H]3COCC[C@H]32)C1=O ZINC000767784072 1080091324 /nfs/dbraw/zinc/09/13/24/1080091324.db2.gz BBKMVIIESAMYAI-MBOZVWFJSA-N 1 2 405.520 2.016 20 0 HEADLO O=C(C[N@@H+](CCO)Cc1ccc(Cl)c(Cl)c1)N1CCC2(CC1)OCCO2 ZINC000767788020 1080094629 /nfs/dbraw/zinc/09/46/29/1080094629.db2.gz JJFXTZGJZUZAJA-UHFFFAOYSA-N 1 2 403.306 2.153 20 0 HEADLO O=C(C[N@H+](CCO)Cc1ccc(Cl)c(Cl)c1)N1CCC2(CC1)OCCO2 ZINC000767788020 1080094637 /nfs/dbraw/zinc/09/46/37/1080094637.db2.gz JJFXTZGJZUZAJA-UHFFFAOYSA-N 1 2 403.306 2.153 20 0 HEADLO CC(C)(C)OC(=O)N1C[C@@H]([N@@H+]2CCc3ncccc3C2)C[C@H]1C(=O)N1CCSC1 ZINC001170048510 1080098587 /nfs/dbraw/zinc/09/85/87/1080098587.db2.gz ONIRJAGEGMKCCN-WMZOPIPTSA-N 1 2 418.563 2.351 20 0 HEADLO CC(C)(C)OC(=O)N1C[C@@H]([N@H+]2CCc3ncccc3C2)C[C@H]1C(=O)N1CCSC1 ZINC001170048510 1080098594 /nfs/dbraw/zinc/09/85/94/1080098594.db2.gz ONIRJAGEGMKCCN-WMZOPIPTSA-N 1 2 418.563 2.351 20 0 HEADLO CN(CCCn1cc[nH+]c1)S(=O)(=O)C1CCN(C(=O)OCc2ccccc2)CC1 ZINC000767852198 1080172672 /nfs/dbraw/zinc/17/26/72/1080172672.db2.gz YCZWMYMFKWNBIL-UHFFFAOYSA-N 1 2 420.535 2.336 20 0 HEADLO O=C(OCc1csc(C2CCCCC2)n1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000785660052 1080180741 /nfs/dbraw/zinc/18/07/41/1080180741.db2.gz PEFCLTHIQSGXCW-KRWDZBQOSA-N 1 2 421.563 2.415 20 0 HEADLO C[C@@H](CCSc1ccccc1)OC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000785664488 1080186240 /nfs/dbraw/zinc/18/62/40/1080186240.db2.gz SSHBWNYGFQGBJQ-ROUUACIJSA-N 1 2 406.548 2.281 20 0 HEADLO O=C(COC(=O)[C@H](O)Cc1ccccc1Cl)N1CC[NH+](Cc2ccsc2)CC1 ZINC000785724923 1080201268 /nfs/dbraw/zinc/20/12/68/1080201268.db2.gz HENJDPOWPXBTHN-GOSISDBHSA-N 1 2 422.934 2.193 20 0 HEADLO CO[C@@H](CNC(=O)OC(C)(C)C)CC(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000767924720 1080218013 /nfs/dbraw/zinc/21/80/13/1080218013.db2.gz OATCUGRKMXQKLX-FUHWJXTLSA-N 1 2 406.527 2.217 20 0 HEADLO CC(=O)[C@@H]1CCCC[N@@H+]1[C@H]1C[C@@H](C(=O)N2CCSC2)N(C(=O)OC(C)(C)C)C1 ZINC001170049892 1080235260 /nfs/dbraw/zinc/23/52/60/1080235260.db2.gz GRCMRVBISWSZBV-ULQDDVLXSA-N 1 2 411.568 2.341 20 0 HEADLO CC(=O)[C@@H]1CCCC[N@H+]1[C@H]1C[C@@H](C(=O)N2CCSC2)N(C(=O)OC(C)(C)C)C1 ZINC001170049892 1080235265 /nfs/dbraw/zinc/23/52/65/1080235265.db2.gz GRCMRVBISWSZBV-ULQDDVLXSA-N 1 2 411.568 2.341 20 0 HEADLO Cc1cc(N2CCN(C(=O)COC(=O)[C@H]3COc4ccccc43)CC2)nc(C(C)C)[nH+]1 ZINC000785769324 1080239042 /nfs/dbraw/zinc/23/90/42/1080239042.db2.gz MYHVHEIIGHOLOA-SFHVURJKSA-N 1 2 424.501 2.276 20 0 HEADLO O=C(Nc1ccc2c(c1)OCCO2)N1CCC[C@H]1C(=O)OCCCn1cc[nH+]c1 ZINC000785977967 1080334300 /nfs/dbraw/zinc/33/43/00/1080334300.db2.gz SOWUITYMYXVZTB-INIZCTEOSA-N 1 2 400.435 2.284 20 0 HEADLO Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C[NH+]1CCC(S(N)(=O)=O)CC1 ZINC000785985660 1080345679 /nfs/dbraw/zinc/34/56/79/1080345679.db2.gz PSBXEKUNRKSUSW-UHFFFAOYSA-N 1 2 400.907 2.285 20 0 HEADLO COCCN(CCNC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1)C(=O)OC(C)(C)C ZINC000768115688 1080349212 /nfs/dbraw/zinc/34/92/12/1080349212.db2.gz SNVVSGNPTVGPSN-SJORKVTESA-N 1 2 409.531 2.359 20 0 HEADLO CN(C)S(=O)(=O)c1cc(C(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)ccc1Cl ZINC000768148364 1080355215 /nfs/dbraw/zinc/35/52/15/1080355215.db2.gz SXBLQJBJJVCSSM-CQSZACIVSA-N 1 2 410.927 2.344 20 0 HEADLO CN(C)C(=O)CN1CC[NH+](Cc2cccc3c2N(C(=O)OC(C)(C)C)CC3)CC1 ZINC000768200232 1080391366 /nfs/dbraw/zinc/39/13/66/1080391366.db2.gz LVYAJLNODZCBJY-UHFFFAOYSA-N 1 2 402.539 2.190 20 0 HEADLO CC(=O)N1CCC([NH+]2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)CC1 ZINC000768192060 1080408250 /nfs/dbraw/zinc/40/82/50/1080408250.db2.gz NWKHSEFMTFZUBJ-UHFFFAOYSA-N 1 2 420.362 2.311 20 0 HEADLO COCCCn1c(=O)c2ccc(C(=O)NCC[C@@H]3CCC[N@H+](C)C3)cc2[nH]c1=S ZINC001626111339 1080433450 /nfs/dbraw/zinc/43/34/50/1080433450.db2.gz LZJFVSVFMKQXPD-HNNXBMFYSA-N 1 2 418.563 2.183 20 0 HEADLO COCCCn1c(=O)c2ccc(C(=O)NCC[C@@H]3CCC[N@@H+](C)C3)cc2[nH]c1=S ZINC001626111339 1080433463 /nfs/dbraw/zinc/43/34/63/1080433463.db2.gz LZJFVSVFMKQXPD-HNNXBMFYSA-N 1 2 418.563 2.183 20 0 HEADLO CCC[N@H+](CC(=O)N1CCN(C(=O)OCC)CC1)[C@H](C)C(=O)Nc1ccccc1C ZINC000786127830 1080446620 /nfs/dbraw/zinc/44/66/20/1080446620.db2.gz SWVZELWDZFCTDC-GOSISDBHSA-N 1 2 418.538 2.335 20 0 HEADLO CCC[N@@H+](CC(=O)N1CCN(C(=O)OCC)CC1)[C@H](C)C(=O)Nc1ccccc1C ZINC000786127830 1080446632 /nfs/dbraw/zinc/44/66/32/1080446632.db2.gz SWVZELWDZFCTDC-GOSISDBHSA-N 1 2 418.538 2.335 20 0 HEADLO CN(CCCn1cc[nH+]c1)C(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000768323484 1080486004 /nfs/dbraw/zinc/48/60/04/1080486004.db2.gz ICFVVIRSBJEMQA-UHFFFAOYSA-N 1 2 410.927 2.483 20 0 HEADLO CN(CCCn1cc[nH+]c1)C(=O)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 ZINC000768325534 1080487175 /nfs/dbraw/zinc/48/71/75/1080487175.db2.gz ZJHJSBPKOTWQIJ-LICLKQGHSA-N 1 2 416.547 2.444 20 0 HEADLO CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000768339310 1080497075 /nfs/dbraw/zinc/49/70/75/1080497075.db2.gz VRUWAKSGZRDEIM-SFHVURJKSA-N 1 2 415.494 2.476 20 0 HEADLO COC(=O)CCc1cccc(NC(=O)C(=O)N[C@@H](Cn2cc[nH+]c2)C(C)(C)C)c1 ZINC000786273597 1080521536 /nfs/dbraw/zinc/52/15/36/1080521536.db2.gz HVGHCTXZEIJFEV-KRWDZBQOSA-N 1 2 400.479 2.158 20 0 HEADLO O=C1C(=O)N(C2CCCC2)C(=O)N1C[NH+]1CCC(OCc2ccccc2F)CC1 ZINC000768479051 1080575110 /nfs/dbraw/zinc/57/51/10/1080575110.db2.gz VQNYWBOWGKUQIS-UHFFFAOYSA-N 1 2 403.454 2.498 20 0 HEADLO CCc1ccc([C@]2(CC)NC(=O)N(C[NH+]3CCC(C(=O)N(C)C)CC3)C2=O)cc1 ZINC000768482641 1080576901 /nfs/dbraw/zinc/57/69/01/1080576901.db2.gz LZLSWJDBMRHJOK-QFIPXVFZSA-N 1 2 400.523 2.164 20 0 HEADLO COc1ccc(Cn2nc(C)c(CN3CC[NH+](CC[S@](C)=O)CC3)c2C)cc1 ZINC000768509699 1080598577 /nfs/dbraw/zinc/59/85/77/1080598577.db2.gz QOADJAPGMDVZKX-NDEPHWFRSA-N 1 2 404.580 2.053 20 0 HEADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)C(=O)NC1CCC(O)(c2ccccc2)CC1 ZINC000786498813 1080658195 /nfs/dbraw/zinc/65/81/95/1080658195.db2.gz BLRGURYQWBTJJE-UHFFFAOYSA-N 1 2 422.529 2.245 20 0 HEADLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)C(=O)NCc2ccc(Br)cc2)C1 ZINC000786624500 1080718811 /nfs/dbraw/zinc/71/88/11/1080718811.db2.gz MNNVQOOIGWDWGU-AWEZNQCLSA-N 1 2 405.296 2.205 20 0 HEADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)C(=O)NCc2ccc(Br)cc2)C1 ZINC000786624501 1080718986 /nfs/dbraw/zinc/71/89/86/1080718986.db2.gz MNNVQOOIGWDWGU-CQSZACIVSA-N 1 2 405.296 2.205 20 0 HEADLO CC[C@]1(c2ccc(OC)cc2)NC(=O)N(C[N@@H+]2CCOC3(CCOCC3)CC2)C1=O ZINC000768905317 1080842363 /nfs/dbraw/zinc/84/23/63/1080842363.db2.gz KMZGEHOGGYGORS-JOCHJYFZSA-N 1 2 417.506 2.081 20 0 HEADLO CC[C@]1(c2ccc(OC)cc2)NC(=O)N(C[N@H+]2CCOC3(CCOCC3)CC2)C1=O ZINC000768905317 1080842370 /nfs/dbraw/zinc/84/23/70/1080842370.db2.gz KMZGEHOGGYGORS-JOCHJYFZSA-N 1 2 417.506 2.081 20 0 HEADLO CCC(CC)n1ccc(COC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)n1 ZINC000786996550 1080907139 /nfs/dbraw/zinc/90/71/39/1080907139.db2.gz LHGWVNQBWUXRSG-LJQANCHMSA-N 1 2 406.527 2.001 20 0 HEADLO C[C@H](OC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)c1ncc(C(C)(C)C)o1 ZINC000786998972 1080912019 /nfs/dbraw/zinc/91/20/19/1080912019.db2.gz LPWOMABKHXWIIN-HOTGVXAUSA-N 1 2 407.511 2.290 20 0 HEADLO O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)OCCCOc1cccc(Cl)c1 ZINC000787000094 1080912496 /nfs/dbraw/zinc/91/24/96/1080912496.db2.gz VGLACFJTMWQMLB-LJQANCHMSA-N 1 2 424.925 2.365 20 0 HEADLO CCn1c(=O)c2ccc(C(=O)N3CC[C@@H](OCC[NH+](CC)CC)C3)cc2[nH]c1=S ZINC000746648244 1081019090 /nfs/dbraw/zinc/01/90/90/1081019090.db2.gz LNTOGHDHCZUXIL-MRXNPFEDSA-N 1 2 418.563 2.278 20 0 HEADLO CN(Cc1ccc([S@@](C)=O)cc1)C(=O)C[NH+]1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000769264579 1081021154 /nfs/dbraw/zinc/02/11/54/1081021154.db2.gz SNFPOYDXOVHSRP-GDLZYMKVSA-N 1 2 423.579 2.372 20 0 HEADLO COc1ccc(CC(=O)N2CC[NH+]([C@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)cc1 ZINC000769298301 1081033688 /nfs/dbraw/zinc/03/36/88/1081033688.db2.gz HFDINTNOYWGPAS-SFHVURJKSA-N 1 2 403.523 2.391 20 0 HEADLO C[C@H](C(=O)N1CCCCCC1)[NH+]1CCN([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000769298340 1081034086 /nfs/dbraw/zinc/03/40/86/1081034086.db2.gz IYFORPWRWNQLSZ-RTBURBONSA-N 1 2 408.587 2.405 20 0 HEADLO C[C@H](C(=O)N1CCCCCC1)N1CC[NH+]([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000769298340 1081034094 /nfs/dbraw/zinc/03/40/94/1081034094.db2.gz IYFORPWRWNQLSZ-RTBURBONSA-N 1 2 408.587 2.405 20 0 HEADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)C(=O)NCc2cccc(OCC(F)(F)F)c2)C1 ZINC000787175304 1081045481 /nfs/dbraw/zinc/04/54/81/1081045481.db2.gz IPKXHAJKLJHRGV-OAHLLOKOSA-N 1 2 424.423 2.384 20 0 HEADLO CN(C)C(=O)COc1ccc(C(F)(F)C(=O)N2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000769369656 1081055546 /nfs/dbraw/zinc/05/55/46/1081055546.db2.gz NJNBEQOTNJKNKN-UHFFFAOYSA-N 1 2 406.433 2.306 20 0 HEADLO Cc1nn(C)c(N2CCOCC2)c1C[N@@H+]1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000769388433 1081060363 /nfs/dbraw/zinc/06/03/63/1081060363.db2.gz LLQAXMQISAGGSI-IYBDPMFKSA-N 1 2 407.559 2.395 20 0 HEADLO Cc1nn(C)c(N2CCOCC2)c1C[N@H+]1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000769388433 1081060373 /nfs/dbraw/zinc/06/03/73/1081060373.db2.gz LLQAXMQISAGGSI-IYBDPMFKSA-N 1 2 407.559 2.395 20 0 HEADLO CC(C)Oc1ccc(C(=O)OCC(=O)N2CC[NH+](Cc3cccs3)CC2)nc1 ZINC000769389635 1081061011 /nfs/dbraw/zinc/06/10/11/1081061011.db2.gz SMZCPRLZBZISNL-UHFFFAOYSA-N 1 2 403.504 2.432 20 0 HEADLO COC(=O)[C@@H]1CC[N@H+](Cn2nc(N3CCCCC3)n(C[C@@H]3CCCO3)c2=S)[C@H]1C ZINC000787242660 1081067268 /nfs/dbraw/zinc/06/72/68/1081067268.db2.gz JONDBBNXXCGJOU-YESZJQIVSA-N 1 2 423.583 2.424 20 0 HEADLO COC(=O)[C@@H]1CC[N@@H+](Cn2nc(N3CCCCC3)n(C[C@@H]3CCCO3)c2=S)[C@H]1C ZINC000787242660 1081067270 /nfs/dbraw/zinc/06/72/70/1081067270.db2.gz JONDBBNXXCGJOU-YESZJQIVSA-N 1 2 423.583 2.424 20 0 HEADLO CCc1nc(C[NH+]2CCC(CNS(=O)(=O)c3cnc(Cl)n3C)CC2)cs1 ZINC000769420923 1081067951 /nfs/dbraw/zinc/06/79/51/1081067951.db2.gz REYFAEBIBHZNRM-UHFFFAOYSA-N 1 2 417.988 2.283 20 0 HEADLO COC(=O)c1cccc(NC(=O)C[NH+]2CCC([C@H](O)c3ccc(F)cc3)CC2)n1 ZINC000787245114 1081069092 /nfs/dbraw/zinc/06/90/92/1081069092.db2.gz KDOSJSLOJSZOOS-HXUWFJFHSA-N 1 2 401.438 2.391 20 0 HEADLO COc1cc(CNC(=O)C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)ccc1OC(C)C ZINC000787235362 1081082940 /nfs/dbraw/zinc/08/29/40/1081082940.db2.gz UXCIABZPMUDVPU-QGZVFWFLSA-N 1 2 400.479 2.159 20 0 HEADLO COc1cc(CNC(=O)C(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)ccc1OC(C)C ZINC000787237475 1081084441 /nfs/dbraw/zinc/08/44/41/1081084441.db2.gz LBNLIIPRWBVIOK-FUHWJXTLSA-N 1 2 414.506 2.405 20 0 HEADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)C(=O)N1CCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000787298836 1081097739 /nfs/dbraw/zinc/09/77/39/1081097739.db2.gz QFQINDPQWKTBSD-WOJBJXKFSA-N 1 2 422.485 2.255 20 0 HEADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)C(=O)N[C@@H]1CC[C@H]2SCCS[C@H]12 ZINC000787298829 1081097890 /nfs/dbraw/zinc/09/78/90/1081097890.db2.gz QCVKPXIAJWDWQA-KZNAEPCWSA-N 1 2 416.572 2.043 20 0 HEADLO COC(=O)c1cccc(NC(=O)C[N@@H+]2CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)n1 ZINC000787265454 1081099570 /nfs/dbraw/zinc/09/95/70/1081099570.db2.gz VZTYQWKICUMZRA-KBPBESRZSA-N 1 2 406.483 2.042 20 0 HEADLO COC(=O)c1cccc(NC(=O)C[N@H+]2CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)n1 ZINC000787265454 1081099578 /nfs/dbraw/zinc/09/95/78/1081099578.db2.gz VZTYQWKICUMZRA-KBPBESRZSA-N 1 2 406.483 2.042 20 0 HEADLO CCO[C@H](C)c1noc(CN2CC[NH+]([C@@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)n1 ZINC000769506917 1081100367 /nfs/dbraw/zinc/10/03/67/1081100367.db2.gz IGADFJDPGAKXQD-HZPDHXFCSA-N 1 2 409.531 2.294 20 0 HEADLO Cc1ccc(S(=O)(=O)N[C@H](CC[N@@H+]2CCCNC(=O)C2)c2ccccc2)cc1 ZINC000746667556 1081103561 /nfs/dbraw/zinc/10/35/61/1081103561.db2.gz YJPOWEQSRPJYOF-HXUWFJFHSA-N 1 2 401.532 2.227 20 0 HEADLO Cc1ccc(S(=O)(=O)N[C@H](CC[N@H+]2CCCNC(=O)C2)c2ccccc2)cc1 ZINC000746667556 1081103567 /nfs/dbraw/zinc/10/35/67/1081103567.db2.gz YJPOWEQSRPJYOF-HXUWFJFHSA-N 1 2 401.532 2.227 20 0 HEADLO CN1CCN(c2ncc(C[N@H+](C3CC3)[C@H]3CCN(C(=O)OC(C)(C)C)C3)cn2)CC1 ZINC000769530321 1081110192 /nfs/dbraw/zinc/11/01/92/1081110192.db2.gz JWDOGPHWMYHREW-IBGZPJMESA-N 1 2 416.570 2.202 20 0 HEADLO CN1CCN(c2ncc(C[N@@H+](C3CC3)[C@H]3CCN(C(=O)OC(C)(C)C)C3)cn2)CC1 ZINC000769530321 1081110195 /nfs/dbraw/zinc/11/01/95/1081110195.db2.gz JWDOGPHWMYHREW-IBGZPJMESA-N 1 2 416.570 2.202 20 0 HEADLO COCCN1CC[N@H+](C)C2(CCN(c3nc4ccc(C)cc4nc3Cl)CC2)C1=O ZINC001164636602 719273560 /nfs/dbraw/zinc/27/35/60/719273560.db2.gz VQWVNFXSSCSGIA-UHFFFAOYSA-N 1 2 417.941 2.351 20 0 HEADLO COCCN1CC[N@@H+](C)C2(CCN(c3nc4ccc(C)cc4nc3Cl)CC2)C1=O ZINC001164636602 719273564 /nfs/dbraw/zinc/27/35/64/719273564.db2.gz VQWVNFXSSCSGIA-UHFFFAOYSA-N 1 2 417.941 2.351 20 0 HEADLO COCCN1CC[N@H+](C)C2(CCN(c3cc4c(Cl)ccnc4cn3)CC2)C1=O ZINC001164641217 719276404 /nfs/dbraw/zinc/27/64/04/719276404.db2.gz UPZONMMLGIAVBY-UHFFFAOYSA-N 1 2 403.914 2.043 20 0 HEADLO COCCN1CC[N@@H+](C)C2(CCN(c3cc4c(Cl)ccnc4cn3)CC2)C1=O ZINC001164641217 719276405 /nfs/dbraw/zinc/27/64/05/719276405.db2.gz UPZONMMLGIAVBY-UHFFFAOYSA-N 1 2 403.914 2.043 20 0 HEADLO COC(=O)c1cnc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)cn1 ZINC001164671069 719492510 /nfs/dbraw/zinc/49/25/10/719492510.db2.gz ZLBQYKONZIBYLG-UHFFFAOYSA-N 1 2 400.454 2.274 20 0 HEADLO COC(=O)c1cnc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)cn1 ZINC001164671069 719492516 /nfs/dbraw/zinc/49/25/16/719492516.db2.gz ZLBQYKONZIBYLG-UHFFFAOYSA-N 1 2 400.454 2.274 20 0 HEADLO CN(C)C(=O)c1cncc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)n1 ZINC001164673951 719522813 /nfs/dbraw/zinc/52/28/13/719522813.db2.gz VCEIYJSKGGECMH-UHFFFAOYSA-N 1 2 413.497 2.189 20 0 HEADLO CN(C)C(=O)c1cncc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)n1 ZINC001164673951 719522821 /nfs/dbraw/zinc/52/28/21/719522821.db2.gz VCEIYJSKGGECMH-UHFFFAOYSA-N 1 2 413.497 2.189 20 0 HEADLO CCCN(CCC)c1cncc(N2CC[C@H]([NH+]3CCOCC3)C[C@]2(C)C(=O)OC)n1 ZINC001164706700 719862562 /nfs/dbraw/zinc/86/25/62/719862562.db2.gz YMPCYTQYUXJWRD-PGRDOPGGSA-N 1 2 419.570 2.336 20 0 HEADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(SC)cnc1Cl ZINC001164706640 719865465 /nfs/dbraw/zinc/86/54/65/719865465.db2.gz QFNVVJZMVQBAIW-SJCJKPOMSA-N 1 2 400.932 2.085 20 0 HEADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc(-c2ccsc2)nn1 ZINC001164707446 719875648 /nfs/dbraw/zinc/87/56/48/719875648.db2.gz SPKNOYNRUMJERR-UZLBHIALSA-N 1 2 402.520 2.438 20 0 HEADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1ccc3cccc(F)c3n1)CC2 ZINC001164708829 719920188 /nfs/dbraw/zinc/92/01/88/719920188.db2.gz SZMHEMANZWMYFI-UHFFFAOYSA-N 1 2 408.481 2.058 20 0 HEADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)c3ccc(F)c(Cl)n3)C2)C1 ZINC001164719315 720221326 /nfs/dbraw/zinc/22/13/26/720221326.db2.gz RDXPUZJTDBRTQK-QGZVFWFLSA-N 1 2 420.863 2.084 20 0 HEADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)c3ccc(F)c(Cl)n3)C2)C1 ZINC001164719315 720221333 /nfs/dbraw/zinc/22/13/33/720221333.db2.gz RDXPUZJTDBRTQK-QGZVFWFLSA-N 1 2 420.863 2.084 20 0 HEADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3nc4ccc(C)cc4nc3Cl)C2)C1 ZINC001164720438 720240972 /nfs/dbraw/zinc/24/09/72/720240972.db2.gz VYUUQVDNUOKSMG-NRFANRHFSA-N 1 2 417.941 2.256 20 0 HEADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3nc4ccc(C)cc4nc3Cl)C2)C1 ZINC001164720438 720240976 /nfs/dbraw/zinc/24/09/76/720240976.db2.gz VYUUQVDNUOKSMG-NRFANRHFSA-N 1 2 417.941 2.256 20 0 HEADLO COc1cc(C)cc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)n1 ZINC001164823976 720367400 /nfs/dbraw/zinc/36/74/00/720367400.db2.gz FEDYCKBBFWOHAG-UHFFFAOYSA-N 1 2 415.563 2.477 20 0 HEADLO COc1cc(C)cc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)n1 ZINC001164823976 720367407 /nfs/dbraw/zinc/36/74/07/720367407.db2.gz FEDYCKBBFWOHAG-UHFFFAOYSA-N 1 2 415.563 2.477 20 0 HEADLO FC(F)(c1c2c(nnc1Cl)CCC2)N1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001164829589 720399195 /nfs/dbraw/zinc/39/91/95/720399195.db2.gz NLQAVSSUFMALQK-UHFFFAOYSA-N 1 2 420.855 2.410 20 0 HEADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN([C@H](F)c1ccnc(Cl)c1)C2 ZINC001164824690 720451924 /nfs/dbraw/zinc/45/19/24/720451924.db2.gz POJFIYWRWARJMC-JXFKEZNVSA-N 1 2 423.920 2.385 20 0 HEADLO Cc1cc2cccnc2c(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164830367 720478599 /nfs/dbraw/zinc/47/85/99/720478599.db2.gz AUIMTYYZLJKCMK-IBGZPJMESA-N 1 2 422.533 2.124 20 0 HEADLO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4cc(Cl)nc5nc[nH]c54)C3)O2)CC1 ZINC001164887142 721407146 /nfs/dbraw/zinc/40/71/46/721407146.db2.gz LDMHXCGPYIAFCF-QRWLVFNGSA-N 1 2 404.946 2.377 20 0 HEADLO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4cc(Cl)nc5[nH]cnc54)C3)O2)CC1 ZINC001164887142 721407150 /nfs/dbraw/zinc/40/71/50/721407150.db2.gz LDMHXCGPYIAFCF-QRWLVFNGSA-N 1 2 404.946 2.377 20 0 HEADLO COc1cc2ncnc(N3CCCn4c(C[N@H+](C)C(C)C)nnc4C3)c2cc1OC ZINC001165010026 721697895 /nfs/dbraw/zinc/69/78/95/721697895.db2.gz SSNGJLHJFCEWDZ-UHFFFAOYSA-N 1 2 411.510 2.489 20 0 HEADLO COc1cc2ncnc(N3CCCn4c(C[N@@H+](C)C(C)C)nnc4C3)c2cc1OC ZINC001165010026 721697899 /nfs/dbraw/zinc/69/78/99/721697899.db2.gz SSNGJLHJFCEWDZ-UHFFFAOYSA-N 1 2 411.510 2.489 20 0 HEADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1ccc(Cn3ccccc3=O)cn1)C2 ZINC001165009740 721715631 /nfs/dbraw/zinc/71/56/31/721715631.db2.gz VPXBJWQQSNHBQO-UHFFFAOYSA-N 1 2 407.522 2.134 20 0 HEADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1ccc(Cn3ccccc3=O)cn1)C2 ZINC001165009740 721715639 /nfs/dbraw/zinc/71/56/39/721715639.db2.gz VPXBJWQQSNHBQO-UHFFFAOYSA-N 1 2 407.522 2.134 20 0 HEADLO Cn1cc(C(=O)N[C@@H]2C[N@@H+](C(C)(C)c3ccnc(Cl)c3)[C@H]3CCCO[C@@H]23)cn1 ZINC001165013750 721758842 /nfs/dbraw/zinc/75/88/42/721758842.db2.gz RVBBBOLYISMVMV-RYRKJORJSA-N 1 2 403.914 2.365 20 0 HEADLO Cn1cc(C(=O)N[C@@H]2C[N@H+](C(C)(C)c3ccnc(Cl)c3)[C@H]3CCCO[C@@H]23)cn1 ZINC001165013750 721758845 /nfs/dbraw/zinc/75/88/45/721758845.db2.gz RVBBBOLYISMVMV-RYRKJORJSA-N 1 2 403.914 2.365 20 0 HEADLO COc1ccc(C)[nH+]c1N1CCO[C@@]2(C1)COCCN(Cc1csc(C)n1)C2 ZINC001164925469 721827432 /nfs/dbraw/zinc/82/74/32/721827432.db2.gz QHNBNFJBMXKWPH-FQEVSTJZSA-N 1 2 404.536 2.271 20 0 HEADLO COc1cnnc(Cl)c1N1CCC2(CC1)C(=O)NCC[N@H+]2Cc1ccccc1 ZINC001164945101 721973845 /nfs/dbraw/zinc/97/38/45/721973845.db2.gz OVXZQTSVHLNNCU-UHFFFAOYSA-N 1 2 401.898 2.110 20 0 HEADLO COc1cnnc(Cl)c1N1CCC2(CC1)C(=O)NCC[N@@H+]2Cc1ccccc1 ZINC001164945101 721973848 /nfs/dbraw/zinc/97/38/48/721973848.db2.gz OVXZQTSVHLNNCU-UHFFFAOYSA-N 1 2 401.898 2.110 20 0 HEADLO CC(C)c1nc(N(C)C)nc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)n1 ZINC001164945018 721975554 /nfs/dbraw/zinc/97/55/54/721975554.db2.gz AIQJSDFYCKWGAB-UHFFFAOYSA-N 1 2 423.565 2.032 20 0 HEADLO CC(C)c1nc(N(C)C)nc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)n1 ZINC001164945018 721975558 /nfs/dbraw/zinc/97/55/58/721975558.db2.gz AIQJSDFYCKWGAB-UHFFFAOYSA-N 1 2 423.565 2.032 20 0 HEADLO CC(C)COc1nccnc1N1CCC2(CC1)C(=O)NCC[N@H+]2Cc1ccccc1 ZINC001164949871 721980460 /nfs/dbraw/zinc/98/04/60/721980460.db2.gz QXPMALXKQTYWRL-UHFFFAOYSA-N 1 2 409.534 2.482 20 0 HEADLO CC(C)COc1nccnc1N1CCC2(CC1)C(=O)NCC[N@@H+]2Cc1ccccc1 ZINC001164949871 721980463 /nfs/dbraw/zinc/98/04/63/721980463.db2.gz QXPMALXKQTYWRL-UHFFFAOYSA-N 1 2 409.534 2.482 20 0 HEADLO C[C@H]([C@H](C)NC(=O)c1cc(NC(=O)OCC(F)(F)F)ccc1O)[NH+]1CCOCC1 ZINC000769776694 1078551952 /nfs/dbraw/zinc/55/19/52/1078551952.db2.gz FAJWXSSPRDPTBE-NWDGAFQWSA-N 1 2 419.400 2.342 20 0 HEADLO COc1cc(C)c(C[NH+]2CCN(C(=O)COC(=O)/C=C\C3CC3)CC2)cc1OC ZINC000745550881 1078545096 /nfs/dbraw/zinc/54/50/96/1078545096.db2.gz IGRASBRAZOHEQJ-SREVYHEPSA-N 1 2 402.491 2.166 20 0 HEADLO CN(C(=O)OC(C)(C)C)[C@H](C(=O)N1CCC[C@H](c2[nH+]ccn2C)C1)c1cnn(C)c1 ZINC000769769045 1078547551 /nfs/dbraw/zinc/54/75/51/1078547551.db2.gz FVDFMXDWDIBLRY-RDJZCZTQSA-N 1 2 416.526 2.468 20 0 HEADLO COc1cc(C)c(C[NH+]2CCN(C(=O)COC(=O)CC3CCC3)CC2)cc1OC ZINC000745571614 1078549060 /nfs/dbraw/zinc/54/90/60/1078549060.db2.gz CDLDJFFMVYFTLD-UHFFFAOYSA-N 1 2 404.507 2.390 20 0 HEADLO O=C(C[N@H+]1CCC[C@H]([C@@H](O)C(F)(F)F)C1)Nc1ccc(N2CCOCC2)cc1 ZINC000769895883 1078618365 /nfs/dbraw/zinc/61/83/65/1078618365.db2.gz DKECVSJVGKSFLA-KBXCAEBGSA-N 1 2 401.429 2.097 20 0 HEADLO O=C(C[N@@H+]1CCC[C@H]([C@@H](O)C(F)(F)F)C1)Nc1ccc(N2CCOCC2)cc1 ZINC000769895883 1078618376 /nfs/dbraw/zinc/61/83/76/1078618376.db2.gz DKECVSJVGKSFLA-KBXCAEBGSA-N 1 2 401.429 2.097 20 0 HEADLO CCc1noc(C)c1[C@@H](C)[NH2+]Cc1ccccc1S(=O)(=O)N1CCN(C)CC1 ZINC000769870002 1078637462 /nfs/dbraw/zinc/63/74/62/1078637462.db2.gz AYWKKQNCSZPWFQ-OAHLLOKOSA-N 1 2 406.552 2.332 20 0 HEADLO C[C@H](NC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1)c1cccc(N2CCOC2=O)c1 ZINC000745781441 1078640304 /nfs/dbraw/zinc/64/03/04/1078640304.db2.gz OHJLLHQBYAJOKO-QFBILLFUSA-N 1 2 402.495 2.210 20 0 HEADLO CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000745786340 1078643467 /nfs/dbraw/zinc/64/34/67/1078643467.db2.gz JHCNDCBISTVJCW-SFHVURJKSA-N 1 2 409.490 2.345 20 0 HEADLO CC(C)(C)OC(=O)N1CCCC[C@@H](NC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)C1 ZINC000745819241 1078648968 /nfs/dbraw/zinc/64/89/68/1078648968.db2.gz YDZFHCFZBVNFGC-QZTJIDSGSA-N 1 2 410.559 2.282 20 0 HEADLO CCN(CC1CCN(C(=O)NCC[N@@H+]2CCOC[C@@H]2C)CC1)C(=O)OC(C)(C)C ZINC000745803915 1078654018 /nfs/dbraw/zinc/65/40/18/1078654018.db2.gz XPDFEFXCQLYSIW-KRWDZBQOSA-N 1 2 412.575 2.386 20 0 HEADLO CCN(CC1CCN(C(=O)NCC[N@H+]2CCOC[C@@H]2C)CC1)C(=O)OC(C)(C)C ZINC000745803915 1078654022 /nfs/dbraw/zinc/65/40/22/1078654022.db2.gz XPDFEFXCQLYSIW-KRWDZBQOSA-N 1 2 412.575 2.386 20 0 HEADLO CCS(=O)(=O)C[C@H](C)N(C)C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000745870075 1078668590 /nfs/dbraw/zinc/66/85/90/1078668590.db2.gz ZAKUTZSJFQOLNJ-INIZCTEOSA-N 1 2 410.584 2.186 20 0 HEADLO CC(=O)[C@@H](Cc1ccccc1)NC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000745944222 1078708597 /nfs/dbraw/zinc/70/85/97/1078708597.db2.gz KIPILHLGMAPWBY-RBUKOAKNSA-N 1 2 403.523 2.244 20 0 HEADLO CC(=O)[C@@H](Cc1ccccc1)NC(=O)C[N@H+](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000745944222 1078708600 /nfs/dbraw/zinc/70/86/00/1078708600.db2.gz KIPILHLGMAPWBY-RBUKOAKNSA-N 1 2 403.523 2.244 20 0 HEADLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)Nc2ccc(N3CCNC(=O)C3)c(Cl)c2)C1 ZINC000770204456 1078786556 /nfs/dbraw/zinc/78/65/56/1078786556.db2.gz GTLAPDMSYNYIGP-AWEZNQCLSA-N 1 2 416.913 2.421 20 0 HEADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N1CCOC[C@H]1C[C@H](O)c1ccco1 ZINC000770259681 1078793482 /nfs/dbraw/zinc/79/34/82/1078793482.db2.gz GWRFLAALNKQDHY-AEFFLSMTSA-N 1 2 416.478 2.176 20 0 HEADLO C[C@H](c1ccco1)[N@H+](C)CC(=O)N1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1 ZINC000746124779 1078798062 /nfs/dbraw/zinc/79/80/62/1078798062.db2.gz WUDFSGHKWUCFAI-CFINBHSISA-N 1 2 417.531 2.417 20 0 HEADLO C[C@H](c1ccco1)[N@@H+](C)CC(=O)N1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1 ZINC000746124779 1078798068 /nfs/dbraw/zinc/79/80/68/1078798068.db2.gz WUDFSGHKWUCFAI-CFINBHSISA-N 1 2 417.531 2.417 20 0 HEADLO COC(=O)CCn1nc(C)c(C[N@@H+]2CCOC[C@H]2C[C@@H](O)c2ccccc2)c1C ZINC000770356882 1078839786 /nfs/dbraw/zinc/83/97/86/1078839786.db2.gz VLANTPYHSGOKJZ-TZIWHRDSSA-N 1 2 401.507 2.388 20 0 HEADLO COC(=O)CCn1nc(C)c(C[N@H+]2CCOC[C@H]2C[C@@H](O)c2ccccc2)c1C ZINC000770356882 1078839791 /nfs/dbraw/zinc/83/97/91/1078839791.db2.gz VLANTPYHSGOKJZ-TZIWHRDSSA-N 1 2 401.507 2.388 20 0 HEADLO CCOC(=O)c1ccc(C[NH+]2CCN(c3ccc(NS(C)(=O)=O)cc3)CC2)o1 ZINC000770394777 1078841969 /nfs/dbraw/zinc/84/19/69/1078841969.db2.gz MEXMWUKTILIEPY-UHFFFAOYSA-N 1 2 407.492 2.150 20 0 HEADLO Cc1ccc(SC[C@@H](C)NC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)cc1 ZINC000770404766 1078843050 /nfs/dbraw/zinc/84/30/50/1078843050.db2.gz PHBZOJPOCMFZOX-MRXNPFEDSA-N 1 2 413.609 2.284 20 0 HEADLO COc1ccc([C@H]2[C@H](C(=O)N3CCC([N@H+](C)CC(F)F)CC3)CC(=O)N2C)cc1 ZINC000746320026 1078857328 /nfs/dbraw/zinc/85/73/28/1078857328.db2.gz KRWYEHDQUSNXGR-XLIONFOSSA-N 1 2 409.477 2.403 20 0 HEADLO COc1ccc([C@H]2[C@H](C(=O)N3CCC([N@@H+](C)CC(F)F)CC3)CC(=O)N2C)cc1 ZINC000746320026 1078857331 /nfs/dbraw/zinc/85/73/31/1078857331.db2.gz KRWYEHDQUSNXGR-XLIONFOSSA-N 1 2 409.477 2.403 20 0 HEADLO C[N@H+](CC(F)F)C1CCN(C(=O)[C@H]2CCCN(C(=O)COc3ccccc3)C2)CC1 ZINC000746320562 1078857586 /nfs/dbraw/zinc/85/75/86/1078857586.db2.gz SHFAIFNCVUWEQR-KRWDZBQOSA-N 1 2 423.504 2.492 20 0 HEADLO C[N@@H+](CC(F)F)C1CCN(C(=O)[C@H]2CCCN(C(=O)COc3ccccc3)C2)CC1 ZINC000746320562 1078857593 /nfs/dbraw/zinc/85/75/93/1078857593.db2.gz SHFAIFNCVUWEQR-KRWDZBQOSA-N 1 2 423.504 2.492 20 0 HEADLO C[N@H+](CC(F)F)C1CCN(C(=O)[C@@H]2CCCN(C(=O)COc3ccccc3)C2)CC1 ZINC000746320563 1078857683 /nfs/dbraw/zinc/85/76/83/1078857683.db2.gz SHFAIFNCVUWEQR-QGZVFWFLSA-N 1 2 423.504 2.492 20 0 HEADLO C[N@@H+](CC(F)F)C1CCN(C(=O)[C@@H]2CCCN(C(=O)COc3ccccc3)C2)CC1 ZINC000746320563 1078857684 /nfs/dbraw/zinc/85/76/84/1078857684.db2.gz SHFAIFNCVUWEQR-QGZVFWFLSA-N 1 2 423.504 2.492 20 0 HEADLO COc1ccc(OC)c([C@H]2CCC[N@@H+]2CN2C(=O)C[C@@H](Cc3cnn(C)c3)C2=O)c1 ZINC000746374372 1078881774 /nfs/dbraw/zinc/88/17/74/1078881774.db2.gz NXLLJNADTYETLL-VQIMIIECSA-N 1 2 412.490 2.150 20 0 HEADLO COc1ccc(OC)c([C@H]2CCC[N@H+]2CN2C(=O)C[C@@H](Cc3cnn(C)c3)C2=O)c1 ZINC000746374372 1078881776 /nfs/dbraw/zinc/88/17/76/1078881776.db2.gz NXLLJNADTYETLL-VQIMIIECSA-N 1 2 412.490 2.150 20 0 HEADLO O=C(COC(=O)c1ccc(-c2nc[nH]n2)cc1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000770573229 1078894300 /nfs/dbraw/zinc/89/43/00/1078894300.db2.gz GBCRATKEXAFIHQ-UHFFFAOYSA-N 1 2 421.457 2.099 20 0 HEADLO CS(=O)(=O)c1cc(S(=O)(=O)N2CCC[C@H](n3cc[nH+]c3)C2)c(Cl)s1 ZINC000770678696 1078930590 /nfs/dbraw/zinc/93/05/90/1078930590.db2.gz SLGMISHUIJGWMU-JTQLQIEISA-N 1 2 409.942 2.027 20 0 HEADLO O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)c1ccc(S[C@@H]2CCOC2=O)cc1 ZINC000770654944 1078941173 /nfs/dbraw/zinc/94/11/73/1078941173.db2.gz GKHJZLMEWSXSEF-XLIONFOSSA-N 1 2 422.572 2.032 20 0 HEADLO Cc1nc(N2CCN(C(=O)[C@@H]3CCN(C(=O)OCc4ccccc4)C3)CC2)cc[nH+]1 ZINC000770723474 1078949809 /nfs/dbraw/zinc/94/98/09/1078949809.db2.gz ZKMNWFNZQINMHX-LJQANCHMSA-N 1 2 409.490 2.092 20 0 HEADLO O=C(CCC(=O)N1CCN(c2cccc[nH+]2)CC1)OCc1cccc(-n2cccn2)c1 ZINC000766401986 1078953839 /nfs/dbraw/zinc/95/38/39/1078953839.db2.gz YJZFFYLGQYUKLY-UHFFFAOYSA-N 1 2 419.485 2.440 20 0 HEADLO COc1cccc(OCC[NH+]2CCN(C(=O)c3c(C)nc(C(C)C)[nH]c3=O)CC2)c1 ZINC000766408732 1078957766 /nfs/dbraw/zinc/95/77/66/1078957766.db2.gz MSQFZMGETGLVPH-UHFFFAOYSA-N 1 2 414.506 2.459 20 0 HEADLO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cc(S(C)(=O)=O)sc2Cl)C[C@@H]1C ZINC000770690469 1078958981 /nfs/dbraw/zinc/95/89/81/1078958981.db2.gz YKRGYKALGRTQGI-QWRGUYRKSA-N 1 2 415.002 2.298 20 0 HEADLO CC[N@H+]1CC[C@H](N(C)S(=O)(=O)c2cc(S(C)(=O)=O)sc2Cl)C[C@@H]1C ZINC000770690469 1078958983 /nfs/dbraw/zinc/95/89/83/1078958983.db2.gz YKRGYKALGRTQGI-QWRGUYRKSA-N 1 2 415.002 2.298 20 0 HEADLO Cc1ccc(S(=O)(=O)NCCN(C)c2[nH+]cnc3c2cnn3C(C)(C)C)cc1 ZINC000766417934 1078982366 /nfs/dbraw/zinc/98/23/66/1078982366.db2.gz YRFCVFIHBLQQJN-UHFFFAOYSA-N 1 2 402.524 2.304 20 0 HEADLO Cc1ccc(NC(=O)[C@H]2CCC[N@@H+]([C@H](C)C(=O)Nc3sccc3C(N)=O)C2)nc1 ZINC000746457021 1078996143 /nfs/dbraw/zinc/99/61/43/1078996143.db2.gz IBTYUQCVVHVADA-KGLIPLIRSA-N 1 2 415.519 2.228 20 0 HEADLO Cc1ccc(NC(=O)[C@H]2CCC[N@H+]([C@H](C)C(=O)Nc3sccc3C(N)=O)C2)nc1 ZINC000746457021 1078996149 /nfs/dbraw/zinc/99/61/49/1078996149.db2.gz IBTYUQCVVHVADA-KGLIPLIRSA-N 1 2 415.519 2.228 20 0 HEADLO Cc1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccc(S(=O)(=O)N(C)C)o3)C2)nc1 ZINC000746458517 1079000664 /nfs/dbraw/zinc/00/06/64/1079000664.db2.gz ZYUIOOOZUFIJON-HNNXBMFYSA-N 1 2 406.508 2.084 20 0 HEADLO Cc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccc(S(=O)(=O)N(C)C)o3)C2)nc1 ZINC000746458517 1079000674 /nfs/dbraw/zinc/00/06/74/1079000674.db2.gz ZYUIOOOZUFIJON-HNNXBMFYSA-N 1 2 406.508 2.084 20 0 HEADLO C[S@@](=O)CC[NH+]1CCN(CCC(=O)N[C@@H](c2cccs2)c2ccccc2)CC1 ZINC000746470344 1079019826 /nfs/dbraw/zinc/01/98/26/1079019826.db2.gz WBKHWUWOAFENPA-LYZGTLIUSA-N 1 2 419.616 2.340 20 0 HEADLO Cc1ccc(-c2csc(NC(=O)[C@H](C)N3CC[NH+](CC[S@](C)=O)CC3)n2)cc1 ZINC000746473800 1079028172 /nfs/dbraw/zinc/02/81/72/1079028172.db2.gz KMUQVLCJLKFHRI-OLRZCDJHSA-N 1 2 420.604 2.442 20 0 HEADLO C[C@H](C(=O)Nc1ccccc1S(C)(=O)=O)N1CCC([N@H+](C)CC(F)F)CC1 ZINC000746482972 1079040681 /nfs/dbraw/zinc/04/06/81/1079040681.db2.gz UAZBNNVVBIWJBP-CYBMUJFWSA-N 1 2 403.495 2.078 20 0 HEADLO C[C@H](C(=O)Nc1ccccc1S(C)(=O)=O)N1CCC([N@@H+](C)CC(F)F)CC1 ZINC000746482972 1079040683 /nfs/dbraw/zinc/04/06/83/1079040683.db2.gz UAZBNNVVBIWJBP-CYBMUJFWSA-N 1 2 403.495 2.078 20 0 HEADLO C[C@H]1C[C@H]([N@@H+]2CCCn3nnc(Cn4ccnc4)c3C2)CN1C(=O)OC(C)(C)C ZINC001168852329 1079052270 /nfs/dbraw/zinc/05/22/70/1079052270.db2.gz BNXFYYWZIJLHRH-HOTGVXAUSA-N 1 2 401.515 2.127 20 0 HEADLO C[C@H]1C[C@H]([N@H+]2CCCn3nnc(Cn4ccnc4)c3C2)CN1C(=O)OC(C)(C)C ZINC001168852329 1079052273 /nfs/dbraw/zinc/05/22/73/1079052273.db2.gz BNXFYYWZIJLHRH-HOTGVXAUSA-N 1 2 401.515 2.127 20 0 HEADLO CCOC1CC(CNC(=S)Nc2cccc(NC(C)=O)c2)([NH+]2CCOCC2)C1 ZINC000766522053 1079067472 /nfs/dbraw/zinc/06/74/72/1079067472.db2.gz JYKXAVYGLJGCIZ-UHFFFAOYSA-N 1 2 406.552 2.201 20 0 HEADLO CC(C)Cn1ncc(NC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)c1C(C)C ZINC000766522222 1079067557 /nfs/dbraw/zinc/06/75/57/1079067557.db2.gz MELABYNMKMHAQN-UHFFFAOYSA-N 1 2 413.588 2.293 20 0 HEADLO CCOC1CC(CNC(=S)NCCCN(C)c2ccccc2)([NH+]2CCOCC2)C1 ZINC000766522888 1079068018 /nfs/dbraw/zinc/06/80/18/1079068018.db2.gz PKLNPUSSCBJNTJ-UHFFFAOYSA-N 1 2 420.623 2.247 20 0 HEADLO COC(=O)c1ccc(C[N@H+](C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)c2ncccc12 ZINC001168925807 1079069267 /nfs/dbraw/zinc/06/92/67/1079069267.db2.gz UNVGVOALEAKBAS-IAGOWNOFSA-N 1 2 418.515 2.190 20 0 HEADLO COC(=O)c1ccc(C[N@@H+](C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)c2ncccc12 ZINC001168925807 1079069270 /nfs/dbraw/zinc/06/92/70/1079069270.db2.gz UNVGVOALEAKBAS-IAGOWNOFSA-N 1 2 418.515 2.190 20 0 HEADLO O=C(OCc1cccc2[nH+]ccn21)c1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O ZINC000770922092 1079081811 /nfs/dbraw/zinc/08/18/11/1079081811.db2.gz XUZLELPMCJERNR-INIZCTEOSA-N 1 2 405.410 2.466 20 0 HEADLO O=C(CCOc1ccc(Cl)c(Cl)c1)N1CCO[C@@H](C[NH+]2CCOCC2)C1 ZINC001168993866 1079095360 /nfs/dbraw/zinc/09/53/60/1079095360.db2.gz VYOSRHCALGPWQA-HNNXBMFYSA-N 1 2 403.306 2.322 20 0 HEADLO CCOC(=O)[C@H]([NH2+]C[C@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)O1)C1CCOCC1 ZINC001169065503 1079121557 /nfs/dbraw/zinc/12/15/57/1079121557.db2.gz PPKJTLTVDWBLCJ-IAGOWNOFSA-N 1 2 412.527 2.103 20 0 HEADLO COC(=O)C[C@@]1([NH2+]Cc2csc(CC(=O)Nc3ccccc3C)n2)CCOC1 ZINC001169072531 1079124288 /nfs/dbraw/zinc/12/42/88/1079124288.db2.gz JWQWYYZQRWWWGE-FQEVSTJZSA-N 1 2 403.504 2.445 20 0 HEADLO C[N@H+](CC(F)F)C1CCN(c2ncccc2S(=O)(=O)N2CCCCC2)CC1 ZINC000771151362 1079163835 /nfs/dbraw/zinc/16/38/35/1079163835.db2.gz BQXMYLHIAAEDRH-UHFFFAOYSA-N 1 2 402.511 2.422 20 0 HEADLO C[N@@H+](CC(F)F)C1CCN(c2ncccc2S(=O)(=O)N2CCCCC2)CC1 ZINC000771151362 1079163851 /nfs/dbraw/zinc/16/38/51/1079163851.db2.gz BQXMYLHIAAEDRH-UHFFFAOYSA-N 1 2 402.511 2.422 20 0 HEADLO COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)Nc2ccc3[nH]c(C)[nH+]c3c2)C1=O ZINC000771243075 1079224969 /nfs/dbraw/zinc/22/49/69/1079224969.db2.gz KMFKOTUOEYHLGA-OAQYLSRUSA-N 1 2 407.430 2.286 20 0 HEADLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)CCNS(=O)(=O)/C=C\c1ccccc1 ZINC000771293639 1079267838 /nfs/dbraw/zinc/26/78/38/1079267838.db2.gz AOWJUWJHAVCMNB-BLSFAOBESA-N 1 2 404.536 2.394 20 0 HEADLO CCOC(=O)N1CC[C@H](NC(=O)N[C@@H](c2ccc(Cl)cc2)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000771343952 1079298741 /nfs/dbraw/zinc/29/87/41/1079298741.db2.gz JPOKFRUQNHWUEV-BZSNNMDCSA-N 1 2 424.929 2.242 20 0 HEADLO CCOC(=O)N1CC[C@H](NC(=O)N[C@@H](c2ccc(Cl)cc2)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000771343952 1079298747 /nfs/dbraw/zinc/29/87/47/1079298747.db2.gz JPOKFRUQNHWUEV-BZSNNMDCSA-N 1 2 424.929 2.242 20 0 HEADLO COc1ccc(OC)c([C@H](O)CNC(=O)CNc2cc(-c3ccncc3)cc[nH+]2)c1 ZINC001169436840 1079302905 /nfs/dbraw/zinc/30/29/05/1079302905.db2.gz ZKFKEXJFNHDAQV-LJQANCHMSA-N 1 2 408.458 2.423 20 0 HEADLO Cn1cc([C@@H](O)C[C@@H]2CCCN2C(=O)NCc2ccccc2Cn2cc[nH+]c2)cn1 ZINC000766754401 1079331328 /nfs/dbraw/zinc/33/13/28/1079331328.db2.gz NSKQSDFDVYPNNC-SFTDATJTSA-N 1 2 408.506 2.463 20 0 HEADLO CN(C[C@@H](O)CN(C)C(=O)c1ccc(Cn2cc[nH+]c2)cc1)C(=O)OC(C)(C)C ZINC001169666959 1079362495 /nfs/dbraw/zinc/36/24/95/1079362495.db2.gz TXICFOTUFCVASY-SFHVURJKSA-N 1 2 402.495 2.231 20 0 HEADLO CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@@H]2CCc3c[nH+]cn3C2)ccc1Cl ZINC000804337085 1079380166 /nfs/dbraw/zinc/38/01/66/1079380166.db2.gz ULDZYWSCYKELEQ-CQSZACIVSA-N 1 2 410.927 2.312 20 0 HEADLO CC(C)(C)OC(=O)N1CC[N@@H+]([C@H]2CCCN(C(=O)c3ccccc3)C2)[C@H](CO)C1 ZINC001169761291 1079398780 /nfs/dbraw/zinc/39/87/80/1079398780.db2.gz BBRLFFIRZFNJOQ-OALUTQOASA-N 1 2 403.523 2.205 20 0 HEADLO CC(C)(C)OC(=O)N1CC[N@H+]([C@H]2CCCN(C(=O)c3ccccc3)C2)[C@H](CO)C1 ZINC001169761291 1079398788 /nfs/dbraw/zinc/39/87/88/1079398788.db2.gz BBRLFFIRZFNJOQ-OALUTQOASA-N 1 2 403.523 2.205 20 0 HEADLO CCOCC[N@H+](C)CN1C(=O)N[C@@](C)(c2ccc(F)cc2Br)C1=O ZINC000771642818 1079419427 /nfs/dbraw/zinc/41/94/27/1079419427.db2.gz UTNARUKNWNMBRC-INIZCTEOSA-N 1 2 402.264 2.281 20 0 HEADLO CCOCC[N@@H+](C)CN1C(=O)N[C@@](C)(c2ccc(F)cc2Br)C1=O ZINC000771642818 1079419435 /nfs/dbraw/zinc/41/94/35/1079419435.db2.gz UTNARUKNWNMBRC-INIZCTEOSA-N 1 2 402.264 2.281 20 0 HEADLO COC(=O)C(C)(C)[C@@H]1CCC[N@H+](CN2C(=O)C(=O)N([C@H](C)c3ccccc3)C2=O)C1 ZINC000771632614 1079441618 /nfs/dbraw/zinc/44/16/18/1079441618.db2.gz RVBSPCIBVVEDJG-NVXWUHKLSA-N 1 2 415.490 2.407 20 0 HEADLO COC(=O)C(C)(C)[C@@H]1CCC[N@@H+](CN2C(=O)C(=O)N([C@H](C)c3ccccc3)C2=O)C1 ZINC000771632614 1079441626 /nfs/dbraw/zinc/44/16/26/1079441626.db2.gz RVBSPCIBVVEDJG-NVXWUHKLSA-N 1 2 415.490 2.407 20 0 HEADLO CCC[C@@H]1CN(S(=O)(=O)c2c(Cl)nc3ccccn32)CC[N@@H+]1CCOC ZINC000766848863 1079449770 /nfs/dbraw/zinc/44/97/70/1079449770.db2.gz DLKGVSVEJOKRCC-CQSZACIVSA-N 1 2 400.932 2.109 20 0 HEADLO CCC[C@@H]1CN(S(=O)(=O)c2c(Cl)nc3ccccn32)CC[N@H+]1CCOC ZINC000766848863 1079449785 /nfs/dbraw/zinc/44/97/85/1079449785.db2.gz DLKGVSVEJOKRCC-CQSZACIVSA-N 1 2 400.932 2.109 20 0 HEADLO CS(=O)(=O)C1CCC([N@@H+]2CCO[C@H]3[C@H](OCC4CCOCC4)CC[C@@H]32)CC1 ZINC001169881635 1079455735 /nfs/dbraw/zinc/45/57/35/1079455735.db2.gz JILOVYARRCVASP-GNWGEKMJSA-N 1 2 401.569 2.017 20 0 HEADLO CS(=O)(=O)C1CCC([N@H+]2CCO[C@H]3[C@H](OCC4CCOCC4)CC[C@@H]32)CC1 ZINC001169881635 1079455744 /nfs/dbraw/zinc/45/57/44/1079455744.db2.gz JILOVYARRCVASP-GNWGEKMJSA-N 1 2 401.569 2.017 20 0 HEADLO C[C@@H]1CN(C(=O)C2CC[NH+](Cc3nccn3C)CC2)[C@@H](C)CN1C(=O)OC(C)(C)C ZINC000771739513 1079473794 /nfs/dbraw/zinc/47/37/94/1079473794.db2.gz DVKFIPXABGHEEP-DLBZAZTESA-N 1 2 419.570 2.488 20 0 HEADLO Cc1nc(S(=O)(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)sc1Br ZINC000771757575 1079489244 /nfs/dbraw/zinc/48/92/44/1079489244.db2.gz XCLSSCUFVSMQAU-LBPRGKRZSA-N 1 2 424.386 2.136 20 0 HEADLO CN(C[C@@H]1CCC[N@H+](CN2C(=O)c3cccc(N)c3C2=O)C1)C(=O)OC(C)(C)C ZINC000738086967 1075959461 /nfs/dbraw/zinc/95/94/61/1075959461.db2.gz PYNNQXJPKPXLNO-AWEZNQCLSA-N 1 2 402.495 2.401 20 0 HEADLO CN(C[C@@H]1CCC[N@@H+](CN2C(=O)c3cccc(N)c3C2=O)C1)C(=O)OC(C)(C)C ZINC000738086967 1075959467 /nfs/dbraw/zinc/95/94/67/1075959467.db2.gz PYNNQXJPKPXLNO-AWEZNQCLSA-N 1 2 402.495 2.401 20 0 HEADLO CC[N@H+](CCC(=O)OC)CN1C(=O)N[C@](C)(c2ccc(Br)s2)C1=O ZINC000738098722 1075960974 /nfs/dbraw/zinc/96/09/74/1075960974.db2.gz ZYQMRANDTGVCJC-OAHLLOKOSA-N 1 2 418.313 2.120 20 0 HEADLO CC[N@@H+](CCC(=O)OC)CN1C(=O)N[C@](C)(c2ccc(Br)s2)C1=O ZINC000738098722 1075960977 /nfs/dbraw/zinc/96/09/77/1075960977.db2.gz ZYQMRANDTGVCJC-OAHLLOKOSA-N 1 2 418.313 2.120 20 0 HEADLO COC(=O)[C@H]1CCC[N@H+](CN2C(=O)N[C@](C)(c3ccc(C(F)(F)F)cc3)C2=O)C1 ZINC000738057904 1075961904 /nfs/dbraw/zinc/96/19/04/1075961904.db2.gz UFCDVHZGNWFFSU-KPZWWZAWSA-N 1 2 413.396 2.315 20 0 HEADLO COC(=O)[C@H]1CCC[N@@H+](CN2C(=O)N[C@](C)(c3ccc(C(F)(F)F)cc3)C2=O)C1 ZINC000738057904 1075961910 /nfs/dbraw/zinc/96/19/10/1075961910.db2.gz UFCDVHZGNWFFSU-KPZWWZAWSA-N 1 2 413.396 2.315 20 0 HEADLO CCOC(=O)c1ccc(N2CCC[N@H+](CN3C[C@H](c4ccccn4)CC3=O)CC2)nc1 ZINC000738109358 1075964776 /nfs/dbraw/zinc/96/47/76/1075964776.db2.gz AIFOTVNHZCXNTM-LJQANCHMSA-N 1 2 423.517 2.139 20 0 HEADLO CCOC(=O)c1ccc(N2CCC[N@@H+](CN3C[C@H](c4ccccn4)CC3=O)CC2)nc1 ZINC000738109358 1075964780 /nfs/dbraw/zinc/96/47/80/1075964780.db2.gz AIFOTVNHZCXNTM-LJQANCHMSA-N 1 2 423.517 2.139 20 0 HEADLO O=C(Nc1cccc(F)c1)C1CC[NH+](CN2C(=O)C[C@@]3(CCSC3)C2=O)CC1 ZINC000738120546 1075967830 /nfs/dbraw/zinc/96/78/30/1075967830.db2.gz ULBVIJHLWGMVSH-HXUWFJFHSA-N 1 2 405.495 2.316 20 0 HEADLO O=C(Nc1cccc(F)c1)C1CC[NH+](CN2C(=O)C(=O)N(C3CCCC3)C2=O)CC1 ZINC000738120850 1075967854 /nfs/dbraw/zinc/96/78/54/1075967854.db2.gz ZKYWQMFYWHNMJW-UHFFFAOYSA-N 1 2 416.453 2.167 20 0 HEADLO O=C1N[C@](c2ccccc2)(C(F)(F)F)C(=O)N1C[N@@H+]1CCC[C@H](C2OCCO2)C1 ZINC000738148326 1075969488 /nfs/dbraw/zinc/96/94/88/1075969488.db2.gz JXDDPPNPCXRXLJ-UGSOOPFHSA-N 1 2 413.396 2.038 20 0 HEADLO O=C1N[C@](c2ccccc2)(C(F)(F)F)C(=O)N1C[N@H+]1CCC[C@H](C2OCCO2)C1 ZINC000738148326 1075969496 /nfs/dbraw/zinc/96/94/96/1075969496.db2.gz JXDDPPNPCXRXLJ-UGSOOPFHSA-N 1 2 413.396 2.038 20 0 HEADLO CN(CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1)Cc1cn(-c2ccccc2)nn1 ZINC000738327158 1075990568 /nfs/dbraw/zinc/99/05/68/1075990568.db2.gz WVHUVVCRIQPEEO-UHFFFAOYSA-N 1 2 400.527 2.252 20 0 HEADLO C[C@H](CNS(=O)(=O)/C=C/c1cccc(Br)c1)C[NH+]1CCOCC1 ZINC000738412816 1075995333 /nfs/dbraw/zinc/99/53/33/1075995333.db2.gz HFNIMJVQPZHYRY-AZWQULSGSA-N 1 2 403.342 2.308 20 0 HEADLO C[C@H](CNS(=O)(=O)/C=C\c1ccccc1Br)C[NH+]1CCOCC1 ZINC000738412604 1075995492 /nfs/dbraw/zinc/99/54/92/1075995492.db2.gz GRJGAZOQGFEFHC-RQWJFSOLSA-N 1 2 403.342 2.308 20 0 HEADLO COC[C@H]1CC[N@H+](Cn2nc(N3CCOCC3)n(-c3cccc(F)c3)c2=S)C1 ZINC000739874860 1076084855 /nfs/dbraw/zinc/08/48/55/1076084855.db2.gz XQBQEGRBKNFGPC-HNNXBMFYSA-N 1 2 407.515 2.305 20 0 HEADLO COC[C@H]1CC[N@@H+](Cn2nc(N3CCOCC3)n(-c3cccc(F)c3)c2=S)C1 ZINC000739874860 1076084862 /nfs/dbraw/zinc/08/48/62/1076084862.db2.gz XQBQEGRBKNFGPC-HNNXBMFYSA-N 1 2 407.515 2.305 20 0 HEADLO C[C@H](CNC(=O)CS(=O)(=O)Nc1ccc(N2CCCCC2)cc1)Cn1cc[nH+]c1 ZINC000740727236 1076217398 /nfs/dbraw/zinc/21/73/98/1076217398.db2.gz ISEIJAVBBDACHQ-QGZVFWFLSA-N 1 2 419.551 2.068 20 0 HEADLO C[C@H]1C[N@H+](CC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000740883512 1076282410 /nfs/dbraw/zinc/28/24/10/1076282410.db2.gz QXTNTHIWBFNWCK-JSGCOSHPSA-N 1 2 403.483 2.442 20 0 HEADLO C[C@H]1C[N@@H+](CC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000740883512 1076282415 /nfs/dbraw/zinc/28/24/15/1076282415.db2.gz QXTNTHIWBFNWCK-JSGCOSHPSA-N 1 2 403.483 2.442 20 0 HEADLO O=C(N[C@H](Cc1ccccc1)C[NH+]1CCOCC1)N[C@H](CCO)c1cccs1 ZINC000741086363 1076350083 /nfs/dbraw/zinc/35/00/83/1076350083.db2.gz LADCNSMUDKKOKF-RTBURBONSA-N 1 2 403.548 2.414 20 0 HEADLO CC[N@H+](C)[C@@H](C(=O)OCc1nnc2n1c1ccccc1c(=O)n2C)c1ccccc1 ZINC000741151058 1076392939 /nfs/dbraw/zinc/39/29/39/1076392939.db2.gz UDYWODANWZKRPO-LJQANCHMSA-N 1 2 405.458 2.317 20 0 HEADLO CC[N@@H+](C)[C@@H](C(=O)OCc1nnc2n1c1ccccc1c(=O)n2C)c1ccccc1 ZINC000741151058 1076392944 /nfs/dbraw/zinc/39/29/44/1076392944.db2.gz UDYWODANWZKRPO-LJQANCHMSA-N 1 2 405.458 2.317 20 0 HEADLO Cc1nc(C(=O)NCCC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)c2ccccn12 ZINC000741213962 1076406290 /nfs/dbraw/zinc/40/62/90/1076406290.db2.gz UWSCUTGVPUVBQI-UHFFFAOYSA-N 1 2 401.511 2.315 20 0 HEADLO O=C(COC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1)N[C@@H]1CCOc2ccccc21 ZINC000741347335 1076490681 /nfs/dbraw/zinc/49/06/81/1076490681.db2.gz OTTHCNXUGZCMGU-PZJWPPBQSA-N 1 2 424.497 2.461 20 0 HEADLO O=C(COC(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1)N[C@@H]1CCOc2ccccc21 ZINC000741347335 1076490684 /nfs/dbraw/zinc/49/06/84/1076490684.db2.gz OTTHCNXUGZCMGU-PZJWPPBQSA-N 1 2 424.497 2.461 20 0 HEADLO O=C(COC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)N[C@H]1CCOc2ccccc21 ZINC000741347333 1076490722 /nfs/dbraw/zinc/49/07/22/1076490722.db2.gz OTTHCNXUGZCMGU-CTNGQTDRSA-N 1 2 424.497 2.461 20 0 HEADLO O=C(COC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N[C@H]1CCOc2ccccc21 ZINC000741347333 1076490723 /nfs/dbraw/zinc/49/07/23/1076490723.db2.gz OTTHCNXUGZCMGU-CTNGQTDRSA-N 1 2 424.497 2.461 20 0 HEADLO O=C(C[C@H]1C[N@H+](Cc2ccccc2)CCO1)OCCc1nnnn1-c1ccccc1 ZINC000741350470 1076491687 /nfs/dbraw/zinc/49/16/87/1076491687.db2.gz AMGIFZGIWWKBMK-FQEVSTJZSA-N 1 2 407.474 2.039 20 0 HEADLO O=C(C[C@H]1C[N@@H+](Cc2ccccc2)CCO1)OCCc1nnnn1-c1ccccc1 ZINC000741350470 1076491692 /nfs/dbraw/zinc/49/16/92/1076491692.db2.gz AMGIFZGIWWKBMK-FQEVSTJZSA-N 1 2 407.474 2.039 20 0 HEADLO COc1ccc(NC(=O)COC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)c(OC)c1 ZINC000741386449 1076495517 /nfs/dbraw/zinc/49/55/17/1076495517.db2.gz JUEZCUBZWVLXOI-HXUWFJFHSA-N 1 2 414.458 2.087 20 0 HEADLO COc1ccc(NC(=O)COC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c(OC)c1 ZINC000741386449 1076495524 /nfs/dbraw/zinc/49/55/24/1076495524.db2.gz JUEZCUBZWVLXOI-HXUWFJFHSA-N 1 2 414.458 2.087 20 0 HEADLO Cc1ccc(CNC(=O)COC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cc1F ZINC000741387820 1076495617 /nfs/dbraw/zinc/49/56/17/1076495617.db2.gz QFUUAMHFXMTDJN-FQEVSTJZSA-N 1 2 400.450 2.195 20 0 HEADLO Cc1ccc(CNC(=O)COC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1F ZINC000741387820 1076495621 /nfs/dbraw/zinc/49/56/21/1076495621.db2.gz QFUUAMHFXMTDJN-FQEVSTJZSA-N 1 2 400.450 2.195 20 0 HEADLO COc1ccc(OC)c(NC(=O)COC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c1 ZINC000741382974 1076506917 /nfs/dbraw/zinc/50/69/17/1076506917.db2.gz QUBLISFGYRJJRW-FQEVSTJZSA-N 1 2 414.458 2.087 20 0 HEADLO COc1ccc(OC)c(NC(=O)COC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c1 ZINC000741382974 1076506921 /nfs/dbraw/zinc/50/69/21/1076506921.db2.gz QUBLISFGYRJJRW-FQEVSTJZSA-N 1 2 414.458 2.087 20 0 HEADLO COc1ccc(OC)c(NC(=O)COC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)c1 ZINC000741382976 1076507100 /nfs/dbraw/zinc/50/71/00/1076507100.db2.gz QUBLISFGYRJJRW-HXUWFJFHSA-N 1 2 414.458 2.087 20 0 HEADLO COc1ccc(OC)c(NC(=O)COC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c1 ZINC000741382976 1076507104 /nfs/dbraw/zinc/50/71/04/1076507104.db2.gz QUBLISFGYRJJRW-HXUWFJFHSA-N 1 2 414.458 2.087 20 0 HEADLO C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)NCC[S@](=O)Cc2ccccc2)C[C@@H](C)O1 ZINC000741418467 1076517395 /nfs/dbraw/zinc/51/73/95/1076517395.db2.gz GBSBMHKLJINRSF-VBCRUVEZSA-N 1 2 407.580 2.219 20 0 HEADLO O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)c1cc(N2CCOC2=O)ccc1F ZINC000741519790 1076541438 /nfs/dbraw/zinc/54/14/38/1076541438.db2.gz UJCGTADZTGPQGG-SFHVURJKSA-N 1 2 413.449 2.413 20 0 HEADLO O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)c1cc(N2CCOC2=O)ccc1F ZINC000741519790 1076541442 /nfs/dbraw/zinc/54/14/42/1076541442.db2.gz UJCGTADZTGPQGG-SFHVURJKSA-N 1 2 413.449 2.413 20 0 HEADLO COCCCn1c(=O)c2ccc(C(=O)N(C)[C@H]3CC[N@H+](C)[C@@H](C)C3)cc2[nH]c1=S ZINC000741706914 1076599882 /nfs/dbraw/zinc/59/98/82/1076599882.db2.gz CGSHRBLMAPAQJG-HOCLYGCPSA-N 1 2 418.563 2.276 20 0 HEADLO COCCCn1c(=O)c2ccc(C(=O)N(C)[C@H]3CC[N@@H+](C)[C@@H](C)C3)cc2[nH]c1=S ZINC000741706914 1076599887 /nfs/dbraw/zinc/59/98/87/1076599887.db2.gz CGSHRBLMAPAQJG-HOCLYGCPSA-N 1 2 418.563 2.276 20 0 HEADLO Cc1cccc(C2(O)CC[NH+](CC(=O)N[C@@H](C)C(=O)N3CCCCC3)CC2)c1C ZINC000741807345 1076633967 /nfs/dbraw/zinc/63/39/67/1076633967.db2.gz AACNFONNGWHMIZ-IBGZPJMESA-N 1 2 401.551 2.104 20 0 HEADLO C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000741803550 1076642136 /nfs/dbraw/zinc/64/21/36/1076642136.db2.gz FIDRDPFJJKUYGB-MSOLQXFVSA-N 1 2 417.554 2.060 20 0 HEADLO Cc1oc2ncn(C)c(=O)c2c1C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000741983218 1076703287 /nfs/dbraw/zinc/70/32/87/1076703287.db2.gz GZWNSAVELAKONT-UHFFFAOYSA-N 1 2 409.490 2.300 20 0 HEADLO C[N@@H+]1CCc2nc(NC(=O)CN(C[C@H]3CCCO3)C(=O)OC(C)(C)C)sc2C1 ZINC000742052205 1076719258 /nfs/dbraw/zinc/71/92/58/1076719258.db2.gz KCONHTLAWADBLB-CYBMUJFWSA-N 1 2 410.540 2.486 20 0 HEADLO C[N@H+]1CCc2nc(NC(=O)CN(C[C@H]3CCCO3)C(=O)OC(C)(C)C)sc2C1 ZINC000742052205 1076719265 /nfs/dbraw/zinc/71/92/65/1076719265.db2.gz KCONHTLAWADBLB-CYBMUJFWSA-N 1 2 410.540 2.486 20 0 HEADLO CC(C)OC1CC[NH+](CN2C(=O)NC3(CCN(C(=O)OC(C)(C)C)CC3)C2=O)CC1 ZINC000742148203 1076765471 /nfs/dbraw/zinc/76/54/71/1076765471.db2.gz VCBRUQBYITXLIU-UHFFFAOYSA-N 1 2 424.542 2.155 20 0 HEADLO CC(C)(C)C1CCC2(CC1)NC(=O)N(C[N@@H+]1CC[C@H](CN3CCOCC3)C1)C2=O ZINC000742161064 1076772750 /nfs/dbraw/zinc/77/27/50/1076772750.db2.gz FBIGSIJEGCASBX-PDDLGQBUSA-N 1 2 406.571 2.125 20 0 HEADLO CC(C)(C)C1CCC2(CC1)NC(=O)N(C[N@H+]1CC[C@H](CN3CCOCC3)C1)C2=O ZINC000742161064 1076772754 /nfs/dbraw/zinc/77/27/54/1076772754.db2.gz FBIGSIJEGCASBX-PDDLGQBUSA-N 1 2 406.571 2.125 20 0 HEADLO COCCCn1c(=O)c2ccc(C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)cc2[nH]c1=S ZINC000742185671 1076775521 /nfs/dbraw/zinc/77/55/21/1076775521.db2.gz SDWHPJHBIVXZID-CQSZACIVSA-N 1 2 420.579 2.428 20 0 HEADLO CC(=O)[C@@H]1CC(C(=O)N[C@@H](C)C2([NH+]3CCOCC3)CCCC2)=NN1c1ccccc1 ZINC000742197213 1076785592 /nfs/dbraw/zinc/78/55/92/1076785592.db2.gz ROSMNHHUDUBGPW-RXVVDRJESA-N 1 2 412.534 2.360 20 0 HEADLO C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CCC([N@H+](C)CC(F)F)CC1 ZINC000742239917 1076803869 /nfs/dbraw/zinc/80/38/69/1076803869.db2.gz YPDFTVFOZVHTGX-LBPRGKRZSA-N 1 2 423.913 2.195 20 0 HEADLO C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CCC([N@@H+](C)CC(F)F)CC1 ZINC000742239917 1076803871 /nfs/dbraw/zinc/80/38/71/1076803871.db2.gz YPDFTVFOZVHTGX-LBPRGKRZSA-N 1 2 423.913 2.195 20 0 HEADLO C[C@H]1CN(C(=O)C[NH2+][C@@H](c2ccc(F)cc2)c2cccc(S(C)(=O)=O)c2)CCO1 ZINC000742262858 1076810703 /nfs/dbraw/zinc/81/07/03/1076810703.db2.gz DZEJDZWRLOPNIF-BTYIYWSLSA-N 1 2 420.506 2.156 20 0 HEADLO CN(C)c1ccc([NH+]2CCC(NS(=O)(=O)c3ccc4c(c3)C(=O)OC4)CC2)cc1 ZINC000742317354 1076828818 /nfs/dbraw/zinc/82/88/18/1076828818.db2.gz AAYKMBKEKFKBBG-UHFFFAOYSA-N 1 2 415.515 2.370 20 0 HEADLO Cc1ccc(F)c(NC(=S)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)c1 ZINC000737464927 1076858348 /nfs/dbraw/zinc/85/83/48/1076858348.db2.gz CSXHJGZSDCNZOH-UHFFFAOYSA-N 1 2 416.526 2.280 20 0 HEADLO Cc1ccc(F)c(NC(=S)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)c1 ZINC000737464927 1076858350 /nfs/dbraw/zinc/85/83/50/1076858350.db2.gz CSXHJGZSDCNZOH-UHFFFAOYSA-N 1 2 416.526 2.280 20 0 HEADLO Cc1nc(-c2cccc(C(=O)NC3CC[NH+](CCS(C)(=O)=O)CC3)c2)cs1 ZINC000742657775 1076861252 /nfs/dbraw/zinc/86/12/52/1076861252.db2.gz WXQFVUPKXWUMLT-UHFFFAOYSA-N 1 2 407.561 2.357 20 0 HEADLO Cc1ccc(NC(=S)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)c(C)c1 ZINC000737465990 1076881835 /nfs/dbraw/zinc/88/18/35/1076881835.db2.gz ZALQZNRJCXEDJD-UHFFFAOYSA-N 1 2 412.563 2.449 20 0 HEADLO Cc1ccc(NC(=S)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)c(C)c1 ZINC000737465990 1076881836 /nfs/dbraw/zinc/88/18/36/1076881836.db2.gz ZALQZNRJCXEDJD-UHFFFAOYSA-N 1 2 412.563 2.449 20 0 HEADLO CN(C[C@@H]1CCCN1C(=O)C1CC[NH+](Cc2nccn2C)CC1)C(=O)OC(C)(C)C ZINC000742885723 1076891875 /nfs/dbraw/zinc/89/18/75/1076891875.db2.gz INDUCEFZRXTVIA-SFHVURJKSA-N 1 2 419.570 2.490 20 0 HEADLO O=C(Nc1ccc(CN2CCOC2=O)cc1)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000743116664 1076963333 /nfs/dbraw/zinc/96/33/33/1076963333.db2.gz FQLIXGDATBFEFK-IBGZPJMESA-N 1 2 402.495 2.357 20 0 HEADLO COc1c(C)c[nH+]c(CNC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2F)c1C ZINC000743182190 1076994080 /nfs/dbraw/zinc/99/40/80/1076994080.db2.gz AVLGDUYCTRYVSB-UHFFFAOYSA-N 1 2 410.471 2.418 20 0 HEADLO CC[C@@]1(c2ccccc2)NC(=O)N(C[NH+]2CCC(c3nnc4n3CCC4)CC2)C1=O ZINC000743353923 1077030776 /nfs/dbraw/zinc/03/07/76/1077030776.db2.gz HCZNWMAPVLXHJH-QFIPXVFZSA-N 1 2 408.506 2.219 20 0 HEADLO C[C@@H]1C[N@@H+](CN2C(=O)NC3(CCN(C(=O)OC(C)(C)C)CC3)C2=O)C[C@H](C)S1 ZINC000743374516 1077031677 /nfs/dbraw/zinc/03/16/77/1077031677.db2.gz DDXHPYCPZCFWBH-OKILXGFUSA-N 1 2 412.556 2.091 20 0 HEADLO C[C@@H]1C[N@H+](CN2C(=O)NC3(CCN(C(=O)OC(C)(C)C)CC3)C2=O)C[C@H](C)S1 ZINC000743374516 1077031680 /nfs/dbraw/zinc/03/16/80/1077031680.db2.gz DDXHPYCPZCFWBH-OKILXGFUSA-N 1 2 412.556 2.091 20 0 HEADLO COCCNC(=O)[C@H]1CC[C@H](C)[N@H+](Cn2c3ccc(C(=O)C(C)C)cc3oc2=O)C1 ZINC000743359659 1077032025 /nfs/dbraw/zinc/03/20/25/1077032025.db2.gz VSSRSHXZBVJXGI-RDJZCZTQSA-N 1 2 417.506 2.254 20 0 HEADLO COCCNC(=O)[C@H]1CC[C@H](C)[N@@H+](Cn2c3ccc(C(=O)C(C)C)cc3oc2=O)C1 ZINC000743359659 1077032032 /nfs/dbraw/zinc/03/20/32/1077032032.db2.gz VSSRSHXZBVJXGI-RDJZCZTQSA-N 1 2 417.506 2.254 20 0 HEADLO C[C@@]1(c2ccc(F)cc2Cl)NC(=O)N(CN2CCC[C@H]2C[NH+]2CCOCC2)C1=O ZINC000743373838 1077035196 /nfs/dbraw/zinc/03/51/96/1077035196.db2.gz COMFSQXYQMNDJK-YWZLYKJASA-N 1 2 424.904 2.000 20 0 HEADLO C[C@@]1(c2ccc(F)cc2Cl)NC(=O)N(C[N@@H+]2CCC[C@H]2CN2CCOCC2)C1=O ZINC000743373838 1077035201 /nfs/dbraw/zinc/03/52/01/1077035201.db2.gz COMFSQXYQMNDJK-YWZLYKJASA-N 1 2 424.904 2.000 20 0 HEADLO C[C@@]1(c2ccc(F)cc2Cl)NC(=O)N(C[N@H+]2CCC[C@H]2CN2CCOCC2)C1=O ZINC000743373838 1077035203 /nfs/dbraw/zinc/03/52/03/1077035203.db2.gz COMFSQXYQMNDJK-YWZLYKJASA-N 1 2 424.904 2.000 20 0 HEADLO CN(C[C@H]1CCC[N@@H+]1CN1C(=O)N[C@@H](Cc2ccccc2)C1=O)C(=O)OC(C)(C)C ZINC000743393099 1077040721 /nfs/dbraw/zinc/04/07/21/1077040721.db2.gz HFWKEEJBNFOOFS-MSOLQXFVSA-N 1 2 416.522 2.438 20 0 HEADLO CN(C[C@H]1CCC[N@H+]1CN1C(=O)N[C@@H](Cc2ccccc2)C1=O)C(=O)OC(C)(C)C ZINC000743393099 1077040727 /nfs/dbraw/zinc/04/07/27/1077040727.db2.gz HFWKEEJBNFOOFS-MSOLQXFVSA-N 1 2 416.522 2.438 20 0 HEADLO C[C@H]1C[N@H+](Cn2c3ccc(S(=O)(=O)N(C)C)cc3oc2=O)[C@@H]1c1ccccc1 ZINC000743394518 1077041434 /nfs/dbraw/zinc/04/14/34/1077041434.db2.gz MORSOTJFNWFSMU-LIRRHRJNSA-N 1 2 401.488 2.495 20 0 HEADLO C[C@H]1C[N@@H+](Cn2c3ccc(S(=O)(=O)N(C)C)cc3oc2=O)[C@@H]1c1ccccc1 ZINC000743394518 1077041442 /nfs/dbraw/zinc/04/14/42/1077041442.db2.gz MORSOTJFNWFSMU-LIRRHRJNSA-N 1 2 401.488 2.495 20 0 HEADLO CC[C@@H]1C[N@H+](CN2C(=O)NC3(CCN(C(=O)OC(C)(C)C)CC3)C2=O)CCS1 ZINC000743400236 1077042747 /nfs/dbraw/zinc/04/27/47/1077042747.db2.gz LSFCAEXBAYSPBX-CQSZACIVSA-N 1 2 412.556 2.093 20 0 HEADLO CC[C@@H]1C[N@@H+](CN2C(=O)NC3(CCN(C(=O)OC(C)(C)C)CC3)C2=O)CCS1 ZINC000743400236 1077042752 /nfs/dbraw/zinc/04/27/52/1077042752.db2.gz LSFCAEXBAYSPBX-CQSZACIVSA-N 1 2 412.556 2.093 20 0 HEADLO CC(C)(C)OC(=O)NC[C@H]1CCCC[C@@H]1NC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000743622942 1077076667 /nfs/dbraw/zinc/07/66/67/1077076667.db2.gz SDZDPSNMHVTVCG-SJORKVTESA-N 1 2 412.575 2.480 20 0 HEADLO CC(C)(C)OC(=O)NC[C@H]1CCCC[C@@H]1NC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000743622942 1077076671 /nfs/dbraw/zinc/07/66/71/1077076671.db2.gz SDZDPSNMHVTVCG-SJORKVTESA-N 1 2 412.575 2.480 20 0 HEADLO C[C@H]1C[C@H](c2ccccc2F)N(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC000743603406 1077079124 /nfs/dbraw/zinc/07/91/24/1077079124.db2.gz ZTJLBVFQTYFNQJ-HNAYVOBHSA-N 1 2 411.543 2.427 20 0 HEADLO CCOC(=O)N1CCN(C(=O)C[NH+]2CCN([C@@H](C)c3ccc(Cl)cc3)CC2)CC1 ZINC000743855290 1077142650 /nfs/dbraw/zinc/14/26/50/1077142650.db2.gz JJFFYFQXUCYUPC-KRWDZBQOSA-N 1 2 422.957 2.319 20 0 HEADLO CCOC(=O)N1CCN(C(=O)CN2CC[NH+]([C@@H](C)c3ccc(Cl)cc3)CC2)CC1 ZINC000743855290 1077142662 /nfs/dbraw/zinc/14/26/62/1077142662.db2.gz JJFFYFQXUCYUPC-KRWDZBQOSA-N 1 2 422.957 2.319 20 0 HEADLO Cc1c(NC(=O)C(=O)N2CC[NH+](Cc3ccccc3)CC2)cccc1N1CCOC1=O ZINC000743887400 1077179391 /nfs/dbraw/zinc/17/93/91/1077179391.db2.gz LUZLXWOUERQWEZ-UHFFFAOYSA-N 1 2 422.485 2.235 20 0 HEADLO Cc1ccc(N2CCOC2=O)cc1NC(=O)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000743898425 1077210669 /nfs/dbraw/zinc/21/06/69/1077210669.db2.gz SPEKXAJUTLHCHP-UHFFFAOYSA-N 1 2 419.441 2.392 20 0 HEADLO CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)N[C@@H]3CC[C@H](SC)C3)cc2)CC1 ZINC000743968789 1077273267 /nfs/dbraw/zinc/27/32/67/1077273267.db2.gz SMDLYDODZOYPSY-MOPGFXCFSA-N 1 2 404.580 2.163 20 0 HEADLO COC(=O)c1cc(NC(=O)C(=O)N[C@@H](Cc2[nH+]ccn2C)c2ccccc2)ccc1F ZINC000743985467 1077296650 /nfs/dbraw/zinc/29/66/50/1077296650.db2.gz HXJZZHGXBKSUGN-SFHVURJKSA-N 1 2 424.432 2.385 20 0 HEADLO CC(C)N(C)C(=O)C1CC[NH+](CN2C(=O)N[C@@](C)(c3ccccc3F)C2=O)CC1 ZINC000744137559 1077327651 /nfs/dbraw/zinc/32/76/51/1077327651.db2.gz TWHAAYZGTJYSDT-NRFANRHFSA-N 1 2 404.486 2.129 20 0 HEADLO CC[C@](C)([NH2+]CC(=O)NN1C(=O)NC2(CCC(C)CC2)C1=O)c1nc(C)cs1 ZINC000744424776 1077388010 /nfs/dbraw/zinc/38/80/10/1077388010.db2.gz VDONFCGIZLWRFD-BALUQIDSSA-N 1 2 407.540 2.198 20 0 HEADLO CC(C)(C)OC(=O)C1CC[NH+](CN2CC3(CN(C(=O)OC(C)(C)C)C3)CC2=O)CC1 ZINC000744433417 1077393051 /nfs/dbraw/zinc/39/30/51/1077393051.db2.gz IGYJZCZORWVASP-UHFFFAOYSA-N 1 2 423.554 2.467 20 0 HEADLO CC[NH+](CC)[C@H](C(=O)O[C@H](C)C(=O)N1CCC(C(=O)OC)CC1)c1ccccc1 ZINC000744996345 1077700151 /nfs/dbraw/zinc/70/01/51/1077700151.db2.gz KNQLJJDPWWFKHI-APWZRJJASA-N 1 2 404.507 2.413 20 0 HEADLO CC[N@@H+]1CCCC[C@@H]1C(=O)O[C@H](C)C(=O)Nc1cc(C(=O)OC)cc(C(=O)OC)c1 ZINC000745086911 1077724201 /nfs/dbraw/zinc/72/42/01/1077724201.db2.gz PLFLERGMOQKASP-CXAGYDPISA-N 1 2 420.462 2.004 20 0 HEADLO CC[N@H+]1CCCC[C@@H]1C(=O)O[C@H](C)C(=O)Nc1cc(C(=O)OC)cc(C(=O)OC)c1 ZINC000745086911 1077724208 /nfs/dbraw/zinc/72/42/08/1077724208.db2.gz PLFLERGMOQKASP-CXAGYDPISA-N 1 2 420.462 2.004 20 0 HEADLO CC[N@@H+]1CCCC[C@@H]1C(=O)OCC(=O)Nc1cccc(C(=O)N2CCSCC2)c1 ZINC000745089242 1077725864 /nfs/dbraw/zinc/72/58/64/1077725864.db2.gz QCIYHOZULBSGOF-GOSISDBHSA-N 1 2 419.547 2.232 20 0 HEADLO CC[N@H+]1CCCC[C@@H]1C(=O)OCC(=O)Nc1cccc(C(=O)N2CCSCC2)c1 ZINC000745089242 1077725874 /nfs/dbraw/zinc/72/58/74/1077725874.db2.gz QCIYHOZULBSGOF-GOSISDBHSA-N 1 2 419.547 2.232 20 0 HEADLO CC[NH+](CC)[C@@H](C(=O)O[C@@H](C)C(=O)NC(=O)NC)c1cccc(C(F)(F)F)c1 ZINC000745093530 1077727083 /nfs/dbraw/zinc/72/70/83/1077727083.db2.gz HGADANNDGVNSDT-SMDDNHRTSA-N 1 2 403.401 2.476 20 0 HEADLO CC[NH+](CC)[C@H](C(=O)O[C@@H](C)C(=O)NC(=O)NC)c1cccc(C(F)(F)F)c1 ZINC000745093527 1077727116 /nfs/dbraw/zinc/72/71/16/1077727116.db2.gz HGADANNDGVNSDT-FZMZJTMJSA-N 1 2 403.401 2.476 20 0 HEADLO CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H](C)OC(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC000745099398 1077730394 /nfs/dbraw/zinc/73/03/94/1077730394.db2.gz IPCKBJADDYZCHF-QRQLOZEOSA-N 1 2 404.507 2.413 20 0 HEADLO CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H](C)OC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC000745099398 1077730398 /nfs/dbraw/zinc/73/03/98/1077730398.db2.gz IPCKBJADDYZCHF-QRQLOZEOSA-N 1 2 404.507 2.413 20 0 HEADLO CCOC(=O)c1cnn(-c2ccccc2)c1NC(=O)COC(=O)[C@H]1CCCC[N@@H+]1C ZINC000745082762 1077735427 /nfs/dbraw/zinc/73/54/27/1077735427.db2.gz RAXMKGZRKPZPHE-QGZVFWFLSA-N 1 2 414.462 2.015 20 0 HEADLO CCOC(=O)c1cnn(-c2ccccc2)c1NC(=O)COC(=O)[C@H]1CCCC[N@H+]1C ZINC000745082762 1077735434 /nfs/dbraw/zinc/73/54/34/1077735434.db2.gz RAXMKGZRKPZPHE-QGZVFWFLSA-N 1 2 414.462 2.015 20 0 HEADLO C[N@@H+]1CCCC[C@H]1C(=O)OCC(=O)N1c2ccccc2NC(=O)C[C@H]1C(F)(F)F ZINC000745083862 1077736083 /nfs/dbraw/zinc/73/60/83/1077736083.db2.gz YUFJLHZOSOGBTE-GJZGRUSLSA-N 1 2 413.396 2.320 20 0 HEADLO C[N@H+]1CCCC[C@H]1C(=O)OCC(=O)N1c2ccccc2NC(=O)C[C@H]1C(F)(F)F ZINC000745083862 1077736090 /nfs/dbraw/zinc/73/60/90/1077736090.db2.gz YUFJLHZOSOGBTE-GJZGRUSLSA-N 1 2 413.396 2.320 20 0 HEADLO O=C(O[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1OC(=O)[C@@H]1CCCCO1)[C@H]1CCCCO1 ZINC000766323350 1077753124 /nfs/dbraw/zinc/75/31/24/1077753124.db2.gz ZXVUBJBKISCVGA-UJOPUZHASA-N 1 2 417.502 2.464 20 0 HEADLO O=C(O[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1OC(=O)[C@@H]1CCCCO1)[C@H]1CCCCO1 ZINC000766323350 1077753132 /nfs/dbraw/zinc/75/31/32/1077753132.db2.gz ZXVUBJBKISCVGA-UJOPUZHASA-N 1 2 417.502 2.464 20 0 HEADLO CC(C)(C)OC(=O)NC(C)(C)CNC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000745289416 1077804291 /nfs/dbraw/zinc/80/42/91/1077804291.db2.gz KEKJNBPDWBBNIP-GOSISDBHSA-N 1 2 420.554 2.490 20 0 HEADLO CC(C)(C)OC(=O)NC(C)(C)CNC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000745289416 1077804292 /nfs/dbraw/zinc/80/42/92/1077804292.db2.gz KEKJNBPDWBBNIP-GOSISDBHSA-N 1 2 420.554 2.490 20 0 HEADLO Cc1ccc(N2CC[C@H](NC(=O)NC[C@@H]3C[N@H+](Cc4ccccc4)CCO3)C2=O)cc1 ZINC000745290572 1077804396 /nfs/dbraw/zinc/80/43/96/1077804396.db2.gz XWTJHXYHWQYBCS-YADHBBJMSA-N 1 2 422.529 2.301 20 0 HEADLO Cc1ccc(N2CC[C@H](NC(=O)NC[C@@H]3C[N@@H+](Cc4ccccc4)CCO3)C2=O)cc1 ZINC000745290572 1077804397 /nfs/dbraw/zinc/80/43/97/1077804397.db2.gz XWTJHXYHWQYBCS-YADHBBJMSA-N 1 2 422.529 2.301 20 0 HEADLO CCOC(=O)c1ccsc1NC(=O)C[N@@H+]1CCC[C@@H]1C[C@H](O)c1cnn(C)c1 ZINC000766954228 1079519723 /nfs/dbraw/zinc/51/97/23/1079519723.db2.gz XXWYFKQBQLGVCD-ZBFHGGJFSA-N 1 2 406.508 2.185 20 0 HEADLO CCOC(=O)c1ccsc1NC(=O)C[N@H+]1CCC[C@@H]1C[C@H](O)c1cnn(C)c1 ZINC000766954228 1079519733 /nfs/dbraw/zinc/51/97/33/1079519733.db2.gz XXWYFKQBQLGVCD-ZBFHGGJFSA-N 1 2 406.508 2.185 20 0 HEADLO Cn1cc([C@@H](O)C[C@H]2CCC[N@@H+]2Cc2nnnn2-c2ccc(OC(F)F)cc2)cn1 ZINC000766949272 1079541770 /nfs/dbraw/zinc/54/17/70/1079541770.db2.gz YUTRGEDIEKRCDR-WBVHZDCISA-N 1 2 419.436 2.085 20 0 HEADLO Cn1cc([C@@H](O)C[C@H]2CCC[N@H+]2Cc2nnnn2-c2ccc(OC(F)F)cc2)cn1 ZINC000766949272 1079541790 /nfs/dbraw/zinc/54/17/90/1079541790.db2.gz YUTRGEDIEKRCDR-WBVHZDCISA-N 1 2 419.436 2.085 20 0 HEADLO NC(=O)c1cc(OC2CCN(C(=O)NCc3ccccc3-n3cc[nH+]c3)CC2)ccn1 ZINC000771939317 1079591662 /nfs/dbraw/zinc/59/16/62/1079591662.db2.gz SMIADWZOKUJTAC-UHFFFAOYSA-N 1 2 420.473 2.119 20 0 HEADLO Cn1ccnc1[C@H](O)C1CCN(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)CC1 ZINC000771946068 1079595927 /nfs/dbraw/zinc/59/59/27/1079595927.db2.gz LYWZSMJBQVPJGJ-HXUWFJFHSA-N 1 2 412.538 2.461 20 0 HEADLO C[N@H+](CC(=O)Nc1ccccc1C(N)=O)[C@@H](CO)c1cccc(Br)c1 ZINC000767043907 1079603080 /nfs/dbraw/zinc/60/30/80/1079603080.db2.gz LJPWPGQYASNFSQ-INIZCTEOSA-N 1 2 406.280 2.152 20 0 HEADLO C[N@@H+](CC(=O)Nc1ccccc1C(N)=O)[C@@H](CO)c1cccc(Br)c1 ZINC000767043907 1079603086 /nfs/dbraw/zinc/60/30/86/1079603086.db2.gz LJPWPGQYASNFSQ-INIZCTEOSA-N 1 2 406.280 2.152 20 0 HEADLO Cc1c(Br)scc1C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000772040338 1079663504 /nfs/dbraw/zinc/66/35/04/1079663504.db2.gz BTPQRBSENPEFFW-UHFFFAOYSA-N 1 2 409.371 2.058 20 0 HEADLO COc1cc(C)c([C@H](C)NC(=O)COC(=O)C[N@H+](C)[C@@H]2CCSC2)cc1OC ZINC000767110108 1079664022 /nfs/dbraw/zinc/66/40/22/1079664022.db2.gz HAKZAIOVKROGIK-LSDHHAIUSA-N 1 2 410.536 2.170 20 0 HEADLO COc1cc(C)c([C@H](C)NC(=O)COC(=O)C[N@@H+](C)[C@@H]2CCSC2)cc1OC ZINC000767110108 1079664033 /nfs/dbraw/zinc/66/40/33/1079664033.db2.gz HAKZAIOVKROGIK-LSDHHAIUSA-N 1 2 410.536 2.170 20 0 HEADLO C[C@@H](OC(=O)C[N@H+](C)[C@@H]1CCSC1)C(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000767111922 1079664224 /nfs/dbraw/zinc/66/42/24/1079664224.db2.gz NRKMBSUDMPQPES-RHSMWYFYSA-N 1 2 405.520 2.121 20 0 HEADLO C[C@@H](OC(=O)C[N@@H+](C)[C@@H]1CCSC1)C(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000767111922 1079664246 /nfs/dbraw/zinc/66/42/46/1079664246.db2.gz NRKMBSUDMPQPES-RHSMWYFYSA-N 1 2 405.520 2.121 20 0 HEADLO C[C@@H](OC(=O)C[N@H+](C)[C@@H]1CCSC1)C(=O)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000772049885 1079671855 /nfs/dbraw/zinc/67/18/55/1079671855.db2.gz UCWUDNKOXMFCHB-ZYHUDNBSSA-N 1 2 402.419 2.316 20 0 HEADLO C[C@@H](OC(=O)C[N@@H+](C)[C@@H]1CCSC1)C(=O)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000772049885 1079671861 /nfs/dbraw/zinc/67/18/61/1079671861.db2.gz UCWUDNKOXMFCHB-ZYHUDNBSSA-N 1 2 402.419 2.316 20 0 HEADLO Cc1cc(NC(=O)COC(=O)C[N@@H+](C)[C@@H]2CCSC2)n(-c2ccc(C)cc2)n1 ZINC000772058333 1079677268 /nfs/dbraw/zinc/67/72/68/1079677268.db2.gz FEWMVLODUDVEMS-QGZVFWFLSA-N 1 2 402.520 2.408 20 0 HEADLO Cc1cc(NC(=O)COC(=O)C[N@H+](C)[C@@H]2CCSC2)n(-c2ccc(C)cc2)n1 ZINC000772058333 1079677272 /nfs/dbraw/zinc/67/72/72/1079677272.db2.gz FEWMVLODUDVEMS-QGZVFWFLSA-N 1 2 402.520 2.408 20 0 HEADLO CC(C)[C@@H](NC(=O)COC(=O)C[N@H+](C)[C@H]1CCSC1)c1ccc2c(c1)OCCO2 ZINC000772061952 1079704999 /nfs/dbraw/zinc/70/49/99/1079704999.db2.gz OVSYSLFZTIHSAG-HRAATJIYSA-N 1 2 422.547 2.252 20 0 HEADLO CC(C)[C@@H](NC(=O)COC(=O)C[N@@H+](C)[C@H]1CCSC1)c1ccc2c(c1)OCCO2 ZINC000772061952 1079705004 /nfs/dbraw/zinc/70/50/04/1079705004.db2.gz OVSYSLFZTIHSAG-HRAATJIYSA-N 1 2 422.547 2.252 20 0 HEADLO CC(C)[C@@H](NC(=O)COC(=O)C[N@H+](C)[C@@H]1CCSC1)c1ccc2c(c1)OCCO2 ZINC000772061955 1079705027 /nfs/dbraw/zinc/70/50/27/1079705027.db2.gz OVSYSLFZTIHSAG-IIBYNOLFSA-N 1 2 422.547 2.252 20 0 HEADLO CC(C)[C@@H](NC(=O)COC(=O)C[N@@H+](C)[C@@H]1CCSC1)c1ccc2c(c1)OCCO2 ZINC000772061955 1079705033 /nfs/dbraw/zinc/70/50/33/1079705033.db2.gz OVSYSLFZTIHSAG-IIBYNOLFSA-N 1 2 422.547 2.252 20 0 HEADLO O=C(CCS(=O)(=O)NCc1ccccc1Cn1cc[nH+]c1)OCc1ccccc1 ZINC000767239932 1079759498 /nfs/dbraw/zinc/75/94/98/1079759498.db2.gz BMCBJLPZGWSETH-UHFFFAOYSA-N 1 2 413.499 2.484 20 0 HEADLO CC[C@H](C)[C@@H](C(=O)OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)N1C(=O)c2ccccc2C1=O ZINC000767418909 1079855420 /nfs/dbraw/zinc/85/54/20/1079855420.db2.gz WNLYEJUPAMCODC-GGXPGOJBSA-N 1 2 400.475 2.104 20 0 HEADLO CC[C@H](C)[C@@H](C(=O)OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)N1C(=O)c2ccccc2C1=O ZINC000767418909 1079855422 /nfs/dbraw/zinc/85/54/22/1079855422.db2.gz WNLYEJUPAMCODC-GGXPGOJBSA-N 1 2 400.475 2.104 20 0 HEADLO C[C@H]1CCCN(S(=O)(=O)c2ccc(C(=O)OCC[N@H+]3C[C@H]4CC[C@@H](C3)O4)cc2)C1 ZINC000767453456 1079881393 /nfs/dbraw/zinc/88/13/93/1079881393.db2.gz YSIPNKJCNKWGPP-YTQUADARSA-N 1 2 422.547 2.127 20 0 HEADLO C[C@H]1CCCN(S(=O)(=O)c2ccc(C(=O)OCC[N@@H+]3C[C@H]4CC[C@@H](C3)O4)cc2)C1 ZINC000767453456 1079881394 /nfs/dbraw/zinc/88/13/94/1079881394.db2.gz YSIPNKJCNKWGPP-YTQUADARSA-N 1 2 422.547 2.127 20 0 HEADLO O=C(OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)[C@H]1CS[C@@]2(c3ccc(F)cc3)CCC(=O)N12 ZINC000767456202 1079882244 /nfs/dbraw/zinc/88/22/44/1079882244.db2.gz CRVOMFPVJAADNQ-BMQTXXJKSA-N 1 2 420.506 2.123 20 0 HEADLO O=C(OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)[C@H]1CS[C@@]2(c3ccc(F)cc3)CCC(=O)N12 ZINC000767456202 1079882248 /nfs/dbraw/zinc/88/22/48/1079882248.db2.gz CRVOMFPVJAADNQ-BMQTXXJKSA-N 1 2 420.506 2.123 20 0 HEADLO O=C(OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)[C@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000767476627 1079894754 /nfs/dbraw/zinc/89/47/54/1079894754.db2.gz PWWUAKWMZQZZQW-RRQGHBQHSA-N 1 2 423.307 2.208 20 0 HEADLO O=C(OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)[C@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000767476627 1079894757 /nfs/dbraw/zinc/89/47/57/1079894757.db2.gz PWWUAKWMZQZZQW-RRQGHBQHSA-N 1 2 423.307 2.208 20 0 HEADLO Cc1ncc(CCNC(=O)C(=O)Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)s1 ZINC000772528843 1079915387 /nfs/dbraw/zinc/91/53/87/1079915387.db2.gz QBRWUEMSXCQLHB-AWEZNQCLSA-N 1 2 402.520 2.142 20 0 HEADLO Cc1ccc(F)c(OCC(=O)OCC(=O)N2CC[NH+](Cc3ccsc3)CC2)c1 ZINC000767525684 1079919527 /nfs/dbraw/zinc/91/95/27/1079919527.db2.gz MYDXQELNXMLKKS-UHFFFAOYSA-N 1 2 406.479 2.462 20 0 HEADLO O=C(CCC(=O)N1CCN(c2cccc[nH+]2)CC1)OCC(=O)c1ccc2c(c1)CCC2 ZINC000767537222 1079937640 /nfs/dbraw/zinc/93/76/40/1079937640.db2.gz IOUWLCRNTXUISO-UHFFFAOYSA-N 1 2 421.497 2.425 20 0 HEADLO Cc1cc(N2CCN(C(=O)COC(=O)c3c(O)cccc3F)CC2)nc(C(C)C)[nH+]1 ZINC000772583637 1079944823 /nfs/dbraw/zinc/94/48/23/1079944823.db2.gz ZENSDRNKECFHIF-UHFFFAOYSA-N 1 2 416.453 2.259 20 0 HEADLO O=C(CCC(=O)N1CCN(c2cccc[nH+]2)CC1)OCC(=O)c1cc(F)ccc1F ZINC000767540646 1079945351 /nfs/dbraw/zinc/94/53/51/1079945351.db2.gz YCKHWICTFWSAIN-UHFFFAOYSA-N 1 2 417.412 2.215 20 0 HEADLO COc1ccc(C(=O)OCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)c(I)c1 ZINC000767564139 1079973743 /nfs/dbraw/zinc/97/37/43/1079973743.db2.gz BDMFWIYOCIMBCD-BETUJISGSA-N 1 2 417.243 2.320 20 0 HEADLO COc1ccc(C(=O)OCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c(I)c1 ZINC000767564139 1079973772 /nfs/dbraw/zinc/97/37/72/1079973772.db2.gz BDMFWIYOCIMBCD-BETUJISGSA-N 1 2 417.243 2.320 20 0 HEADLO O=C(OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000767613782 1079989769 /nfs/dbraw/zinc/98/97/69/1079989769.db2.gz UEPNGIGHPDJUNC-AQNXPRMDSA-N 1 2 402.491 2.442 20 0 HEADLO O=C(OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000767613782 1079989785 /nfs/dbraw/zinc/98/97/85/1079989785.db2.gz UEPNGIGHPDJUNC-AQNXPRMDSA-N 1 2 402.491 2.442 20 0 HEADLO O=C(C[C@@H]1CSCCS1)OCC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000767696950 1080027760 /nfs/dbraw/zinc/02/77/60/1080027760.db2.gz KLPLHFDCAHHCBL-OAHLLOKOSA-N 1 2 400.591 2.174 20 0 HEADLO CCOc1ccnc(N2CCC[N@@H+]([C@@H]3CC(=O)N(c4ccc(C)cc4)C3=O)CC2)n1 ZINC000767710421 1080044381 /nfs/dbraw/zinc/04/43/81/1080044381.db2.gz QJUDBKXVYYFUSA-GOSISDBHSA-N 1 2 409.490 2.028 20 0 HEADLO CCOc1ccnc(N2CCC[N@H+]([C@@H]3CC(=O)N(c4ccc(C)cc4)C3=O)CC2)n1 ZINC000767710421 1080044395 /nfs/dbraw/zinc/04/43/95/1080044395.db2.gz QJUDBKXVYYFUSA-GOSISDBHSA-N 1 2 409.490 2.028 20 0 HEADLO O=C(OCCn1cc[nH+]c1)c1cccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)c1 ZINC000785554119 1080055968 /nfs/dbraw/zinc/05/59/68/1080055968.db2.gz HJCXRKULJWAPCF-UHFFFAOYSA-N 1 2 415.427 2.270 20 0 HEADLO CS(=O)(=O)Nc1ccc(N2CC[NH+](C[C@@H](O)c3cc(F)ccc3F)CC2)cc1 ZINC000767744434 1080061583 /nfs/dbraw/zinc/06/15/83/1080061583.db2.gz LASHFMGXLZSUII-LJQANCHMSA-N 1 2 411.474 2.192 20 0 HEADLO CC(C)C[C@@H](C)N(C)C(=O)C[NH+]1CCN(c2ccc(NS(C)(=O)=O)cc2)CC1 ZINC000767744526 1080061652 /nfs/dbraw/zinc/06/16/52/1080061652.db2.gz DGZPMSOOUUPSPC-QGZVFWFLSA-N 1 2 410.584 2.073 20 0 HEADLO C[C@H]1CCCC[C@H]1N(C)C(=O)C[NH+]1CCN(c2ccc(NS(C)(=O)=O)cc2)CC1 ZINC000767749150 1080066468 /nfs/dbraw/zinc/06/64/68/1080066468.db2.gz IDDXEOMBIWLIPR-FXAWDEMLSA-N 1 2 422.595 2.217 20 0 HEADLO COc1cccc([C@H]2CN(C(=O)[C@]3(Cc4ccccc4)CCN(C)C3=O)CC[NH2+]2)c1 ZINC001169975656 1080093425 /nfs/dbraw/zinc/09/34/25/1080093425.db2.gz REDZRVQJLUFMIV-QPPBQGQZSA-N 1 2 407.514 2.259 20 0 HEADLO COc1cccc([C@H]2CN(C(=O)[C@@]3(Cc4ccccc4)CCN(C)C3=O)CC[NH2+]2)c1 ZINC001169975661 1080094072 /nfs/dbraw/zinc/09/40/72/1080094072.db2.gz REDZRVQJLUFMIV-ZJSXRUAMSA-N 1 2 407.514 2.259 20 0 HEADLO C[C@H](OC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ncc(-c2ccccc2)o1 ZINC000785657430 1080176886 /nfs/dbraw/zinc/17/68/86/1080176886.db2.gz GKJSYTFKSAUALB-FUHWJXTLSA-N 1 2 413.474 2.127 20 0 HEADLO C[C@H](OC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc(OC(F)F)cc1 ZINC000785656558 1080177387 /nfs/dbraw/zinc/17/73/87/1080177387.db2.gz CQZAUMYEUVDUBI-HOCLYGCPSA-N 1 2 412.433 2.073 20 0 HEADLO O=C(OCc1csc(C2CCCCC2)n1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000785660055 1080180766 /nfs/dbraw/zinc/18/07/66/1080180766.db2.gz PEFCLTHIQSGXCW-QGZVFWFLSA-N 1 2 421.563 2.415 20 0 HEADLO COc1ccccc1C[NH+]1CCN(C(=O)C[C@@H](CNC(=O)OC(C)(C)C)OC)CC1 ZINC000767857795 1080181797 /nfs/dbraw/zinc/18/17/97/1080181797.db2.gz NEXCWSOUPRNYJZ-SFHVURJKSA-N 1 2 421.538 2.269 20 0 HEADLO O=C(OCc1cc(Cl)cc2cccnc21)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000785662664 1080184313 /nfs/dbraw/zinc/18/43/13/1080184313.db2.gz LXEAFCGXIXTAJC-INIZCTEOSA-N 1 2 417.893 2.112 20 0 HEADLO COc1cccc([C@H]2CN(C(=O)c3cc(Br)c(C=O)n3C)CC[NH2+]2)c1 ZINC001169977078 1080208980 /nfs/dbraw/zinc/20/89/80/1080208980.db2.gz XZKKIPSMYAAWAK-OAHLLOKOSA-N 1 2 406.280 2.395 20 0 HEADLO O=C(C[N@@H+]1CCS[C@H]2COCC[C@H]21)Nc1ccccc1C(=O)NCc1ccco1 ZINC000767910572 1080223987 /nfs/dbraw/zinc/22/39/87/1080223987.db2.gz FNJPDVPJGICZIN-MOPGFXCFSA-N 1 2 415.515 2.354 20 0 HEADLO O=C(C[N@H+]1CCS[C@H]2COCC[C@H]21)Nc1ccccc1C(=O)NCc1ccco1 ZINC000767910572 1080223993 /nfs/dbraw/zinc/22/39/93/1080223993.db2.gz FNJPDVPJGICZIN-MOPGFXCFSA-N 1 2 415.515 2.354 20 0 HEADLO CC(=O)N1CCC([NH+]2CCN(S(=O)(=O)c3ccc(C(C)(C)C)cc3)CC2)CC1 ZINC000768182398 1080400903 /nfs/dbraw/zinc/40/09/03/1080400903.db2.gz FKMIHZNXPMSFCI-UHFFFAOYSA-N 1 2 407.580 2.301 20 0 HEADLO O=C(Nc1cnc(Cl)c(Br)c1)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000768188198 1080404419 /nfs/dbraw/zinc/40/44/19/1080404419.db2.gz RPSWNZKHIGKIRE-LLVKDONJSA-N 1 2 412.675 2.496 20 0 HEADLO O=C(NCc1ccn2cc[nH+]c2c1)C(=O)Nc1cnc(Cl)c(Br)c1 ZINC000768196857 1080411440 /nfs/dbraw/zinc/41/14/40/1080411440.db2.gz UINJJJLIODHNTP-UHFFFAOYSA-N 1 2 408.643 2.400 20 0 HEADLO CC(C)(C)OC(=O)NCc1cc(C(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)ccn1 ZINC000768195513 1080411514 /nfs/dbraw/zinc/41/15/14/1080411514.db2.gz ATPUEMYRQUUDQU-GOSISDBHSA-N 1 2 404.511 2.043 20 0 HEADLO CCC[N@H+](CC(=O)N1CCC2(CC1)OCCO2)[C@@H](C)C(=O)Nc1ccccc1C ZINC000786133186 1080453450 /nfs/dbraw/zinc/45/34/50/1080453450.db2.gz KULRFXDSAHYBHH-SFHVURJKSA-N 1 2 403.523 2.400 20 0 HEADLO CCC[N@@H+](CC(=O)N1CCC2(CC1)OCCO2)[C@@H](C)C(=O)Nc1ccccc1C ZINC000786133186 1080453460 /nfs/dbraw/zinc/45/34/60/1080453460.db2.gz KULRFXDSAHYBHH-SFHVURJKSA-N 1 2 403.523 2.400 20 0 HEADLO CN(CCCn1cc[nH+]c1)C(=O)C1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H](C1)C2=O ZINC000768285480 1080458510 /nfs/dbraw/zinc/45/85/10/1080458510.db2.gz MMXYYEWDZXQGIF-ALOPSCKCSA-N 1 2 404.511 2.194 20 0 HEADLO Cn1ncc(C(=O)N2CC[NH+](CCOC(c3ccccc3)c3ccccc3)CC2)n1 ZINC000786389379 1080582492 /nfs/dbraw/zinc/58/24/92/1080582492.db2.gz AUCQOSRCDQWNMX-UHFFFAOYSA-N 1 2 405.502 2.379 20 0 HEADLO O=C1NC2(CCOCC2)C(=O)N1C[N@@H+]1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000768489893 1080602503 /nfs/dbraw/zinc/60/25/03/1080602503.db2.gz JBYGIKVACCZDQR-AWEZNQCLSA-N 1 2 404.536 2.260 20 0 HEADLO O=C1NC2(CCOCC2)C(=O)N1C[N@H+]1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000768489893 1080602512 /nfs/dbraw/zinc/60/25/12/1080602512.db2.gz JBYGIKVACCZDQR-AWEZNQCLSA-N 1 2 404.536 2.260 20 0 HEADLO O=C1NC2(CCOCC2)C(=O)N1C[N@@H+]1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000768489894 1080602527 /nfs/dbraw/zinc/60/25/27/1080602527.db2.gz JBYGIKVACCZDQR-CQSZACIVSA-N 1 2 404.536 2.260 20 0 HEADLO O=C1NC2(CCOCC2)C(=O)N1C[N@H+]1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000768489894 1080602529 /nfs/dbraw/zinc/60/25/29/1080602529.db2.gz JBYGIKVACCZDQR-CQSZACIVSA-N 1 2 404.536 2.260 20 0 HEADLO CC(C)(O)c1ccc(CNC(=O)C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)cc1 ZINC000786467365 1080612060 /nfs/dbraw/zinc/61/20/60/1080612060.db2.gz GOVUSFNDDVZAKN-UHFFFAOYSA-N 1 2 410.518 2.232 20 0 HEADLO Cc1cc(Cl)nc(CNC(=O)C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)c1 ZINC000786465219 1080643911 /nfs/dbraw/zinc/64/39/11/1080643911.db2.gz HYQMZCQZLZIGED-UHFFFAOYSA-N 1 2 401.898 2.361 20 0 HEADLO CCN(C)c1ccccc1CNC(=O)C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000786466930 1080645184 /nfs/dbraw/zinc/64/51/84/1080645184.db2.gz APJVUJIPAIFIRS-UHFFFAOYSA-N 1 2 409.534 2.461 20 0 HEADLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)C(=O)N[C@@H]1CC[C@@H]2SCCS[C@@H]12 ZINC000786467788 1080646579 /nfs/dbraw/zinc/64/65/79/1080646579.db2.gz PKMILCRFBWUIMR-RYRKJORJSA-N 1 2 420.604 2.184 20 0 HEADLO O=C(Cn1cc(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cn1)NC1CCCCC1 ZINC000746592034 1080692194 /nfs/dbraw/zinc/69/21/94/1080692194.db2.gz LSKINOZLUGAAIN-UHFFFAOYSA-N 1 2 406.490 2.448 20 0 HEADLO CC(C)Nc1nc(N2CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)nc(NCCO)[nH+]1 ZINC000786799591 1080832722 /nfs/dbraw/zinc/83/27/22/1080832722.db2.gz GMXQSVHURAEWHR-CABCVRRESA-N 1 2 423.562 2.226 20 0 HEADLO CC(C)Nc1nc(N2CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)nc(NCCO)[nH+]1 ZINC000786799594 1080832848 /nfs/dbraw/zinc/83/28/48/1080832848.db2.gz GMXQSVHURAEWHR-GJZGRUSLSA-N 1 2 423.562 2.226 20 0 HEADLO Cc1ccc2[nH+]cc(CN(C)CC(=O)N3CCN(C(=O)OC(C)(C)C)CC3)n2c1 ZINC000768991430 1080878181 /nfs/dbraw/zinc/87/81/81/1080878181.db2.gz LFGBIEMDURHFIP-UHFFFAOYSA-N 1 2 401.511 2.154 20 0 HEADLO CC[C@@H]1CCO[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCCCS(=O)(=O)CC ZINC001109419663 1080891102 /nfs/dbraw/zinc/89/11/02/1080891102.db2.gz ZGEBAWFJTKZDHB-GFEQUFNTSA-N 1 2 400.585 2.128 20 0 HEADLO CC[C@@H]1CCO[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCCCS(=O)(=O)CC ZINC001109419663 1080891103 /nfs/dbraw/zinc/89/11/03/1080891103.db2.gz ZGEBAWFJTKZDHB-GFEQUFNTSA-N 1 2 400.585 2.128 20 0 HEADLO CNC(=O)Nc1cccc(NC(=O)C[NH+]2CCC(NC(=O)OC(C)(C)C)CC2)c1 ZINC000769089325 1080900599 /nfs/dbraw/zinc/90/05/99/1080900599.db2.gz HPLRSZCHTGHRGD-UHFFFAOYSA-N 1 2 405.499 2.366 20 0 HEADLO O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)OCc1ccccc1C(F)(F)F ZINC000786992036 1080902504 /nfs/dbraw/zinc/90/25/04/1080902504.db2.gz BHEJTCQCQUPDQF-KRWDZBQOSA-N 1 2 414.424 2.462 20 0 HEADLO Cc1cccc(-c2cncc(C(=O)NC3CC[NH+](CCS(C)(=O)=O)CC3)c2)c1 ZINC000769061274 1080917601 /nfs/dbraw/zinc/91/76/01/1080917601.db2.gz CNURMFWTSIQCLZ-UHFFFAOYSA-N 1 2 401.532 2.296 20 0 HEADLO CCOC(=O)c1ccc(-c2cc3c(nc[nH+]c3Nc3cc(=O)n(C)c(=O)[nH]3)[nH]2)cc1 ZINC001169999103 1080924531 /nfs/dbraw/zinc/92/45/31/1080924531.db2.gz GLXXLKSSHHKZSM-UHFFFAOYSA-N 1 2 406.402 2.296 20 0 HEADLO CCNC(=O)c1ccccc1NC(=O)C[NH+]1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000769120628 1080942012 /nfs/dbraw/zinc/94/20/12/1080942012.db2.gz MCMDIYDNLRZXAC-UHFFFAOYSA-N 1 2 404.511 2.364 20 0 HEADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1c2ccccc2CCN1C(=O)OC(C)(C)C ZINC000769122450 1080944347 /nfs/dbraw/zinc/94/43/47/1080944347.db2.gz JRVIUHIPRUXDCC-LPHOPBHVSA-N 1 2 403.523 2.358 20 0 HEADLO CN(C)C(=O)Cc1ccc(NC(=O)C[NH+]2CCC(NC(=O)OC(C)(C)C)CC2)cc1 ZINC000769127947 1080946739 /nfs/dbraw/zinc/94/67/39/1080946739.db2.gz TXCYZKIOYSAQQR-UHFFFAOYSA-N 1 2 418.538 2.245 20 0 HEADLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)CN1C(=O)N[C@]2(CCCC(C)(C)C2)C1=O ZINC000769143082 1080959038 /nfs/dbraw/zinc/95/90/38/1080959038.db2.gz IWYAVZQEGYWAGG-BTYIYWSLSA-N 1 2 403.527 2.305 20 0 HEADLO O=C(NC[C@@H](O)c1cc(F)cc(Cl)c1)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000787037298 1080960419 /nfs/dbraw/zinc/96/04/19/1080960419.db2.gz RWTRUERSYDJOMB-AEFFLSMTSA-N 1 2 417.934 2.020 20 0 HEADLO Cc1cc([C@@](C)(O)CNC(=O)C[NH+]2CCC(NC(=O)OC(C)(C)C)CC2)c(C)o1 ZINC000769249364 1081015892 /nfs/dbraw/zinc/01/58/92/1081015892.db2.gz YHLQYJKIBHBZHN-NRFANRHFSA-N 1 2 409.527 2.209 20 0 HEADLO CNS(=O)(=O)c1ccc(Cl)c(C(=O)NCCc2cn3cccc(C)c3[nH+]2)c1 ZINC000746639896 1081020915 /nfs/dbraw/zinc/02/09/15/1081020915.db2.gz JZXAYBKWJDPCIT-UHFFFAOYSA-N 1 2 406.895 2.177 20 0 HEADLO C[N@@H+]1CCN(C(=O)Cc2cc(F)c(F)cc2F)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000769272213 1081025839 /nfs/dbraw/zinc/02/58/39/1081025839.db2.gz DGJVRIDJAODNIH-CYBMUJFWSA-N 1 2 401.429 2.314 20 0 HEADLO C[N@H+]1CCN(C(=O)Cc2cc(F)c(F)cc2F)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000769272213 1081025847 /nfs/dbraw/zinc/02/58/47/1081025847.db2.gz DGJVRIDJAODNIH-CYBMUJFWSA-N 1 2 401.429 2.314 20 0 HEADLO Cn1nc(Br)cc1C[N@H+](C)CCN1CCN(C(=O)OC(C)(C)C)CC1 ZINC000787149133 1081031035 /nfs/dbraw/zinc/03/10/35/1081031035.db2.gz GUHZXAGZVDWRHF-UHFFFAOYSA-N 1 2 416.364 2.167 20 0 HEADLO Cn1nc(Br)cc1C[N@@H+](C)CCN1CCN(C(=O)OC(C)(C)C)CC1 ZINC000787149133 1081031044 /nfs/dbraw/zinc/03/10/44/1081031044.db2.gz GUHZXAGZVDWRHF-UHFFFAOYSA-N 1 2 416.364 2.167 20 0 HEADLO CC(C)(C)OC(=O)NC1CC[NH+](CC(=O)N[C@H]2CCN(C3CCCCC3)C2=O)CC1 ZINC000769301701 1081035339 /nfs/dbraw/zinc/03/53/39/1081035339.db2.gz FXMZWVBRZPYSHN-SFHVURJKSA-N 1 2 422.570 2.025 20 0 HEADLO CC(C)Oc1ccc(C(=O)OCC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)nc1 ZINC000769391214 1081060518 /nfs/dbraw/zinc/06/05/18/1081060518.db2.gz WJZGIIHMOHLLLW-UHFFFAOYSA-N 1 2 413.474 2.497 20 0 HEADLO CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCN([C@@H]3CCN(c4ccccc4)C3=O)CC2)C1 ZINC000769405725 1081064336 /nfs/dbraw/zinc/06/43/36/1081064336.db2.gz YRWBUVWVAQSBPB-VQTJNVASSA-N 1 2 414.550 2.419 20 0 HEADLO COC(=O)c1cccc(NC(=O)C[N@@H+]2CCC[C@@H](C)[C@H]2CNC(=O)OC(C)(C)C)n1 ZINC000787254595 1081072861 /nfs/dbraw/zinc/07/28/61/1081072861.db2.gz FHLCNXNOBNALAO-GDBMZVCRSA-N 1 2 420.510 2.432 20 0 HEADLO COC(=O)c1cccc(NC(=O)C[N@H+]2CCC[C@@H](C)[C@H]2CNC(=O)OC(C)(C)C)n1 ZINC000787254595 1081072870 /nfs/dbraw/zinc/07/28/70/1081072870.db2.gz FHLCNXNOBNALAO-GDBMZVCRSA-N 1 2 420.510 2.432 20 0 HEADLO C[S@](=O)CC[NH+]1CCN(Cc2cn(-c3ccccc3)nc2-c2cccnc2)CC1 ZINC000769481124 1081078643 /nfs/dbraw/zinc/07/86/43/1081078643.db2.gz RNIADWRDRWYMPG-LJAQVGFWSA-N 1 2 409.559 2.430 20 0 HEADLO CSC1(C(=O)OCC(=O)N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)CCC1 ZINC000787232005 1081080094 /nfs/dbraw/zinc/08/00/94/1081080094.db2.gz KSYFODKBBSQONX-UHFFFAOYSA-N 1 2 406.552 2.386 20 0 HEADLO Cc1nn(Cc2ccc(F)cc2)c(Cl)c1CN1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000769502833 1081099084 /nfs/dbraw/zinc/09/90/84/1081099084.db2.gz APWPLSOBMMYZIU-UHFFFAOYSA-N 1 2 407.921 2.414 20 0 HEADLO COC(=O)c1cccc(NC(=O)C[N@@H+]2CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C2)n1 ZINC000787265461 1081099500 /nfs/dbraw/zinc/09/95/00/1081099500.db2.gz VZTYQWKICUMZRA-ZIAGYGMSSA-N 1 2 406.483 2.042 20 0 HEADLO COC(=O)c1cccc(NC(=O)C[N@H+]2CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C2)n1 ZINC000787265461 1081099506 /nfs/dbraw/zinc/09/95/06/1081099506.db2.gz VZTYQWKICUMZRA-ZIAGYGMSSA-N 1 2 406.483 2.042 20 0 HEADLO CCS(=O)(=O)CCN(C)C(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000769529213 1081110273 /nfs/dbraw/zinc/11/02/73/1081110273.db2.gz AHTSGYYZDXQUEY-HNNXBMFYSA-N 1 2 409.474 2.384 20 0 HEADLO C[C@@H](Cn1cc[nH+]c1)NS(=O)(=O)CC1CCN(C(=O)OCc2ccccc2)CC1 ZINC000769634834 1081153193 /nfs/dbraw/zinc/15/31/93/1081153193.db2.gz WRJSHDKNJPFYOD-KRWDZBQOSA-N 1 2 420.535 2.240 20 0 HEADLO COC1(c2nc(CC(F)(F)F)no2)CC[NH+]([C@@H](C(N)=O)c2ccc(F)cc2)CC1 ZINC000576007426 569056121 /nfs/dbraw/zinc/05/61/21/569056121.db2.gz NYUVHMSOSPBQEQ-CQSZACIVSA-N 1 2 416.375 2.478 20 0 HEADLO COCCN1CC[N@H+](C)C2(CCN(c3cnc4c(Cl)cccc4n3)CC2)C1=O ZINC001164633050 719272843 /nfs/dbraw/zinc/27/28/43/719272843.db2.gz FTGMWMWYFXQCCZ-UHFFFAOYSA-N 1 2 403.914 2.043 20 0 HEADLO COCCN1CC[N@@H+](C)C2(CCN(c3cnc4c(Cl)cccc4n3)CC2)C1=O ZINC001164633050 719272845 /nfs/dbraw/zinc/27/28/45/719272845.db2.gz FTGMWMWYFXQCCZ-UHFFFAOYSA-N 1 2 403.914 2.043 20 0 HEADLO COCCN1CC[N@H+](C)C2(CCN(c3ccc(-c4ccccc4F)nn3)CC2)C1=O ZINC001164644992 719282078 /nfs/dbraw/zinc/28/20/78/719282078.db2.gz ZMWZCSFXWGTFOH-UHFFFAOYSA-N 1 2 413.497 2.042 20 0 HEADLO COCCN1CC[N@@H+](C)C2(CCN(c3ccc(-c4ccccc4F)nn3)CC2)C1=O ZINC001164644992 719282083 /nfs/dbraw/zinc/28/20/83/719282083.db2.gz ZMWZCSFXWGTFOH-UHFFFAOYSA-N 1 2 413.497 2.042 20 0 HEADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(Cl)nc2c1CCCC2 ZINC001164705791 719845098 /nfs/dbraw/zinc/84/50/98/719845098.db2.gz VRTIVTDHLOXPAP-XOBRGWDASA-N 1 2 408.930 2.242 20 0 HEADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncc2c(n1)-c1ccccc1CC2 ZINC001164707415 719863828 /nfs/dbraw/zinc/86/38/28/719863828.db2.gz SEXZGGQZBMVRFF-CYFREDJKSA-N 1 2 422.529 2.475 20 0 HEADLO Cc1cccc2ncc(N3Cc4ncn(C)c4[C@@H](COCC[NH+]4CCOCC4)C3)nc12 ZINC001164821923 720446461 /nfs/dbraw/zinc/44/64/61/720446461.db2.gz ASDQKJQCBRFHMM-GOSISDBHSA-N 1 2 422.533 2.124 20 0 HEADLO Cc1ccnc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)c1Cl ZINC001164822382 720446758 /nfs/dbraw/zinc/44/67/58/720446758.db2.gz DJZGPACSCVGFES-MRXNPFEDSA-N 1 2 405.930 2.230 20 0 HEADLO O=c1cc(Cn2cc[nH+]c2)nc2n1CCCN(C(F)(F)Oc1ccc(Cl)nc1)C2 ZINC001164861366 720895142 /nfs/dbraw/zinc/89/51/42/720895142.db2.gz XTOQZJKKIHLBRA-UHFFFAOYSA-N 1 2 422.823 2.372 20 0 HEADLO CN1CCc2nc(Cl)nc(N3Cc4c[nH+]cn4C[C@@H](COCC4CC4)C3)c2C1 ZINC001164755823 720982985 /nfs/dbraw/zinc/98/29/85/720982985.db2.gz CDHGEEGWYYMQNS-HNNXBMFYSA-N 1 2 402.930 2.377 20 0 HEADLO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1nc(Cl)nc3c1S(=O)(=O)CC3)[C@@H]2C ZINC001164862490 721021052 /nfs/dbraw/zinc/02/10/52/721021052.db2.gz QORLIRCAYDLYAL-GFCCVEGCSA-N 1 2 424.958 2.078 20 0 HEADLO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1nc(Cl)nc3c1S(=O)(=O)CC3)[C@@H]2C ZINC001164862490 721021060 /nfs/dbraw/zinc/02/10/60/721021060.db2.gz QORLIRCAYDLYAL-GFCCVEGCSA-N 1 2 424.958 2.078 20 0 HEADLO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4cc(Cl)nc5nc[nH]c54)C3)O2)CC1 ZINC001164887145 721407228 /nfs/dbraw/zinc/40/72/28/721407228.db2.gz LDMHXCGPYIAFCF-YWZLYKJASA-N 1 2 404.946 2.377 20 0 HEADLO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4cc(Cl)nc5[nH]cnc54)C3)O2)CC1 ZINC001164887145 721407231 /nfs/dbraw/zinc/40/72/31/721407231.db2.gz LDMHXCGPYIAFCF-YWZLYKJASA-N 1 2 404.946 2.377 20 0 HEADLO CCOC(=O)c1nnc(Cl)cc1N1CCCn2c(C[N@H+](C)C(C)C)nnc2C1 ZINC001165010248 721702227 /nfs/dbraw/zinc/70/22/27/721702227.db2.gz GCZFTLRFJSJALC-UHFFFAOYSA-N 1 2 407.906 2.149 20 0 HEADLO CCOC(=O)c1nnc(Cl)cc1N1CCCn2c(C[N@@H+](C)C(C)C)nnc2C1 ZINC001165010248 721702231 /nfs/dbraw/zinc/70/22/31/721702231.db2.gz GCZFTLRFJSJALC-UHFFFAOYSA-N 1 2 407.906 2.149 20 0 HEADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1nc(Cl)cc(O[C@@H]3CCOC3)n1)C2 ZINC001165010852 721720724 /nfs/dbraw/zinc/72/07/24/721720724.db2.gz KBECHHWNACKOIS-CQSZACIVSA-N 1 2 421.933 2.140 20 0 HEADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1nc(Cl)cc(O[C@@H]3CCOC3)n1)C2 ZINC001165010852 721720731 /nfs/dbraw/zinc/72/07/31/721720731.db2.gz KBECHHWNACKOIS-CQSZACIVSA-N 1 2 421.933 2.140 20 0 HEADLO CSc1nc(Cl)cc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164912742 721767914 /nfs/dbraw/zinc/76/79/14/721767914.db2.gz PEHOUXRRJLOVHY-IBGZPJMESA-N 1 2 421.954 2.355 20 0 HEADLO CSc1nc(Cl)cc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164912742 721767920 /nfs/dbraw/zinc/76/79/20/721767920.db2.gz PEHOUXRRJLOVHY-IBGZPJMESA-N 1 2 421.954 2.355 20 0 HEADLO Fc1cnc2ccc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)nc2c1 ZINC001164914874 721791790 /nfs/dbraw/zinc/79/17/90/721791790.db2.gz GTYDATYRBLMXFO-JOCHJYFZSA-N 1 2 409.465 2.272 20 0 HEADLO Fc1cnc2ccc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)nc2c1 ZINC001164914874 721791791 /nfs/dbraw/zinc/79/17/91/721791791.db2.gz GTYDATYRBLMXFO-JOCHJYFZSA-N 1 2 409.465 2.272 20 0 HEADLO CC(C)Sc1ccc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nn1 ZINC001164915299 721797692 /nfs/dbraw/zinc/79/76/92/721797692.db2.gz VVSXRXPVAZYBCQ-OAQYLSRUSA-N 1 2 415.563 2.480 20 0 HEADLO CC(C)Sc1ccc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nn1 ZINC001164915299 721797695 /nfs/dbraw/zinc/79/76/95/721797695.db2.gz VVSXRXPVAZYBCQ-OAQYLSRUSA-N 1 2 415.563 2.480 20 0 HEADLO COC(=O)c1ccc2ncnc(N3CCC4(CC3)c3[nH+]cc(C)n3CCN4C)c2c1 ZINC001164916263 721813327 /nfs/dbraw/zinc/81/33/27/721813327.db2.gz GGJNSTXPWZAGEN-UHFFFAOYSA-N 1 2 406.490 2.362 20 0 HEADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2ccc(C(=O)NC3CCCC3)nn2)CC1 ZINC001164919796 721820286 /nfs/dbraw/zinc/82/02/86/721820286.db2.gz WKLPNANSSHCTPJ-UHFFFAOYSA-N 1 2 409.538 2.095 20 0 HEADLO C=C(OCC)c1ccc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)nn1 ZINC001164946050 721973973 /nfs/dbraw/zinc/97/39/73/721973973.db2.gz IXYSRYRNKZIMOY-UHFFFAOYSA-N 1 2 407.518 2.455 20 0 HEADLO C=C(OCC)c1ccc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)nn1 ZINC001164946050 721973975 /nfs/dbraw/zinc/97/39/75/721973975.db2.gz IXYSRYRNKZIMOY-UHFFFAOYSA-N 1 2 407.518 2.455 20 0 HEADLO O=C(CCC1CCOCC1)OCC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000745657290 1078569400 /nfs/dbraw/zinc/56/94/00/1078569400.db2.gz FZUKHZAATRNOJM-UHFFFAOYSA-N 1 2 416.518 2.016 20 0 HEADLO Cc1ccc([C@@H](C)C(=O)OCC(=O)NCc2ccccc2C[NH+]2CCOCC2)o1 ZINC000745664757 1078579372 /nfs/dbraw/zinc/57/93/72/1078579372.db2.gz KWTALVSVQGVWFX-QGZVFWFLSA-N 1 2 400.475 2.383 20 0 HEADLO COCCNC(=O)c1c(NC(=O)C[N@@H+]2CCC23CCOCC3)sc2c1CCCC2 ZINC000769894679 1078614696 /nfs/dbraw/zinc/61/46/96/1078614696.db2.gz WUFSVARZFAVUOI-UHFFFAOYSA-N 1 2 421.563 2.197 20 0 HEADLO COCCNC(=O)c1c(NC(=O)C[N@H+]2CCC23CCOCC3)sc2c1CCCC2 ZINC000769894679 1078614700 /nfs/dbraw/zinc/61/47/00/1078614700.db2.gz WUFSVARZFAVUOI-UHFFFAOYSA-N 1 2 421.563 2.197 20 0 HEADLO COC(=O)c1cccc(N2CC[NH+](Cc3cc(OC)c(OC)c(OC)c3)CC2)n1 ZINC000769906331 1078627640 /nfs/dbraw/zinc/62/76/40/1078627640.db2.gz CSARIQXJVVGKQI-UHFFFAOYSA-N 1 2 401.463 2.216 20 0 HEADLO C[C@H]1C[N@H+](CCNC(=O)N2C[C@H](CC(=O)N(C)C)c3cc(Cl)ccc32)CCO1 ZINC000745792089 1078649533 /nfs/dbraw/zinc/64/95/33/1078649533.db2.gz OSWDRURJYOBZDQ-GJZGRUSLSA-N 1 2 408.930 2.152 20 0 HEADLO C[C@H]1C[N@@H+](CCNC(=O)N2C[C@H](CC(=O)N(C)C)c3cc(Cl)ccc32)CCO1 ZINC000745792089 1078649535 /nfs/dbraw/zinc/64/95/35/1078649535.db2.gz OSWDRURJYOBZDQ-GJZGRUSLSA-N 1 2 408.930 2.152 20 0 HEADLO C[C@@H]1C[N@H+](CCNC(=O)N[C@@H](Cc2ccccc2)C(=O)N(C)c2ccccc2)CCO1 ZINC000745790560 1078645496 /nfs/dbraw/zinc/64/54/96/1078645496.db2.gz AXJDQADDNBGAMW-KNQAVFIVSA-N 1 2 424.545 2.281 20 0 HEADLO C[C@@H]1C[N@@H+](CCNC(=O)N[C@@H](Cc2ccccc2)C(=O)N(C)c2ccccc2)CCO1 ZINC000745790560 1078645498 /nfs/dbraw/zinc/64/54/98/1078645498.db2.gz AXJDQADDNBGAMW-KNQAVFIVSA-N 1 2 424.545 2.281 20 0 HEADLO CCC(CC)(CNC(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1)NC(=O)OC(C)(C)C ZINC000745806078 1078655237 /nfs/dbraw/zinc/65/52/37/1078655237.db2.gz CFVVPNMAKACKEK-JKSUJKDBSA-N 1 2 400.564 2.478 20 0 HEADLO Cn1ccnc1[C@H](O)[C@@H]1CCCN(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC000769970517 1078660034 /nfs/dbraw/zinc/66/00/34/1078660034.db2.gz SVBLSSZTXYUTRR-UYAOXDASSA-N 1 2 412.538 2.461 20 0 HEADLO CN(C)c1ccc([NH+]2CCC(NC(=O)N3CCN(c4ncccn4)CC3)CC2)cc1 ZINC000745869880 1078669222 /nfs/dbraw/zinc/66/92/22/1078669222.db2.gz NFPIHQXPZLJANM-UHFFFAOYSA-N 1 2 409.538 2.043 20 0 HEADLO COCCOC[C@H](C)NC(=O)N1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000745863339 1078678321 /nfs/dbraw/zinc/67/83/21/1078678321.db2.gz FVPKJRZUVKCQPJ-HNNXBMFYSA-N 1 2 419.444 2.464 20 0 HEADLO Cc1cc(NC(=O)CN2C(=O)N[C@](C)(c3ccc(F)c(Cl)c3)C2=O)c(C)c[nH+]1 ZINC000770008729 1078684122 /nfs/dbraw/zinc/68/41/22/1078684122.db2.gz CSKLUGNLSGIOCR-LJQANCHMSA-N 1 2 404.829 2.319 20 0 HEADLO O=C(c1cccc2[nH+]ccn21)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000770065342 1078729681 /nfs/dbraw/zinc/72/96/81/1078729681.db2.gz LYXMBEWGFSXPOA-UHFFFAOYSA-N 1 2 410.908 2.196 20 0 HEADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)/C=C/c1ccc(NS(C)(=O)=O)cc1 ZINC000770211575 1078788982 /nfs/dbraw/zinc/78/89/82/1078788982.db2.gz DEETUKYQDQUPPY-BJMVGYQFSA-N 1 2 416.503 2.250 20 0 HEADLO Cc1cn2cc(NC(=O)c3ccc(F)c(S(=O)(=O)Cc4ncon4)c3)ccc2[nH+]1 ZINC000746195750 1078815177 /nfs/dbraw/zinc/81/51/77/1078815177.db2.gz DBMLBXQJDHFYSD-UHFFFAOYSA-N 1 2 415.406 2.391 20 0 HEADLO COC(=O)CCn1nc(C)c(C[N@@H+]2CCOC[C@@H]2C[C@H](O)c2ccccc2)c1C ZINC000770356877 1078839887 /nfs/dbraw/zinc/83/98/87/1078839887.db2.gz VLANTPYHSGOKJZ-FPOVZHCZSA-N 1 2 401.507 2.388 20 0 HEADLO COC(=O)CCn1nc(C)c(C[N@H+]2CCOC[C@@H]2C[C@H](O)c2ccccc2)c1C ZINC000770356877 1078839889 /nfs/dbraw/zinc/83/98/89/1078839889.db2.gz VLANTPYHSGOKJZ-FPOVZHCZSA-N 1 2 401.507 2.388 20 0 HEADLO CCOc1ccc(CN(CCCn2cc[nH+]c2)C(=O)NC2CN(C(=O)OC)C2)cc1 ZINC000770427628 1078850833 /nfs/dbraw/zinc/85/08/33/1078850833.db2.gz JRWQWUMHKCJAJK-UHFFFAOYSA-N 1 2 415.494 2.334 20 0 HEADLO O=C(Nc1ccc(Cl)cn1)C1CC[NH+](CN2C(=O)C[C@]3(CCSC3)C2=O)CC1 ZINC000746502655 1078847806 /nfs/dbraw/zinc/84/78/06/1078847806.db2.gz KCZKJYYQYGHECE-IBGZPJMESA-N 1 2 422.938 2.225 20 0 HEADLO COc1c(C)c[nH+]c(CNC(=O)N(C)[C@H](C)c2cccc(S(N)(=O)=O)c2)c1C ZINC000770440522 1078855250 /nfs/dbraw/zinc/85/52/50/1078855250.db2.gz ONQMGGFSJJOIJY-CQSZACIVSA-N 1 2 406.508 2.257 20 0 HEADLO Cc1cccc(NC(=O)COC(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)c1 ZINC000766341407 1078857260 /nfs/dbraw/zinc/85/72/60/1078857260.db2.gz ACEMNSZUSJNXJJ-UHFFFAOYSA-N 1 2 410.474 2.001 20 0 HEADLO Cc1nnnn1/C(=C/c1ccc(F)cc1)C(=O)N1CCC([N@H+](C)CC(F)F)CC1 ZINC000746320677 1078857741 /nfs/dbraw/zinc/85/77/41/1078857741.db2.gz APPUZRABMJYCSV-GZTJUZNOSA-N 1 2 408.428 2.307 20 0 HEADLO Cc1nnnn1/C(=C/c1ccc(F)cc1)C(=O)N1CCC([N@@H+](C)CC(F)F)CC1 ZINC000746320677 1078857745 /nfs/dbraw/zinc/85/77/45/1078857745.db2.gz APPUZRABMJYCSV-GZTJUZNOSA-N 1 2 408.428 2.307 20 0 HEADLO CSCC[C@@H](NC(=O)c1ccco1)C(=O)N1CCC([N@H+](C)CC(F)F)CC1 ZINC000746319463 1078858005 /nfs/dbraw/zinc/85/80/05/1078858005.db2.gz AMEJGJCMEGPHBD-CQSZACIVSA-N 1 2 403.495 2.319 20 0 HEADLO CSCC[C@@H](NC(=O)c1ccco1)C(=O)N1CCC([N@@H+](C)CC(F)F)CC1 ZINC000746319463 1078858007 /nfs/dbraw/zinc/85/80/07/1078858007.db2.gz AMEJGJCMEGPHBD-CQSZACIVSA-N 1 2 403.495 2.319 20 0 HEADLO Cc1cc(N2CCCS2(=O)=O)ccc1C(=O)N1CCC([N@H+](C)CC(F)F)CC1 ZINC000746321382 1078858405 /nfs/dbraw/zinc/85/84/05/1078858405.db2.gz QRLZGCHMZHOLNL-UHFFFAOYSA-N 1 2 415.506 2.336 20 0 HEADLO Cc1cc(N2CCCS2(=O)=O)ccc1C(=O)N1CCC([N@@H+](C)CC(F)F)CC1 ZINC000746321382 1078858407 /nfs/dbraw/zinc/85/84/07/1078858407.db2.gz QRLZGCHMZHOLNL-UHFFFAOYSA-N 1 2 415.506 2.336 20 0 HEADLO CCOC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)N2CCC([N@H+](C)CC(F)F)CC2)C1 ZINC000746322417 1078858417 /nfs/dbraw/zinc/85/84/17/1078858417.db2.gz KJWXWVNNCYQBFS-GOSISDBHSA-N 1 2 422.476 2.372 20 0 HEADLO CCOC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)N2CCC([N@@H+](C)CC(F)F)CC2)C1 ZINC000746322417 1078858418 /nfs/dbraw/zinc/85/84/18/1078858418.db2.gz KJWXWVNNCYQBFS-GOSISDBHSA-N 1 2 422.476 2.372 20 0 HEADLO Cn1cc(C[C@H]2CC(=O)N(C[NH+]3CCC(Oc4ccc(F)cc4F)CC3)C2=O)cn1 ZINC000746373516 1078881133 /nfs/dbraw/zinc/88/11/33/1078881133.db2.gz UKSSQVCBDFXFEZ-HNNXBMFYSA-N 1 2 418.444 2.117 20 0 HEADLO Cn1cc(C[C@@H]2CC(=O)N(C[NH+]3CCC(Oc4ccc(F)cc4F)CC3)C2=O)cn1 ZINC000746373517 1078881234 /nfs/dbraw/zinc/88/12/34/1078881234.db2.gz UKSSQVCBDFXFEZ-OAHLLOKOSA-N 1 2 418.444 2.117 20 0 HEADLO CCCCn1nccc1NC(=O)C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000746423932 1078918682 /nfs/dbraw/zinc/91/86/82/1078918682.db2.gz YWCOSDJTINBTFQ-UHFFFAOYSA-N 1 2 412.538 2.473 20 0 HEADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)[C@@H]1CCCN1C(=O)OCC(F)(F)F ZINC000770666992 1078925418 /nfs/dbraw/zinc/92/54/18/1078925418.db2.gz RODFYYHERVSCJO-AWEZNQCLSA-N 1 2 416.400 2.328 20 0 HEADLO COC(=O)c1cc(S(=O)(=O)N2CC[N@H+](C)[C@@H](C)[C@@H]2C)c(Br)cc1F ZINC000770723610 1078951207 /nfs/dbraw/zinc/95/12/07/1078951207.db2.gz ORCVYWFZXFYWSI-UWVGGRQHSA-N 1 2 423.304 2.088 20 0 HEADLO COC(=O)c1cc(S(=O)(=O)N2CC[N@@H+](C)[C@@H](C)[C@@H]2C)c(Br)cc1F ZINC000770723610 1078951213 /nfs/dbraw/zinc/95/12/13/1078951213.db2.gz ORCVYWFZXFYWSI-UWVGGRQHSA-N 1 2 423.304 2.088 20 0 HEADLO O=C(OCc1ccccc1)N1CCC[C@H](C(=O)N2CCC[C@H]2C[NH+]2CCOCC2)C1 ZINC000766415989 1078961016 /nfs/dbraw/zinc/96/10/16/1078961016.db2.gz ZVKHMHQOFQVXGB-SFTDATJTSA-N 1 2 415.534 2.358 20 0 HEADLO C[C@@H](C(=O)Nc1sccc1C(N)=O)[NH+]1CCC(O)(Cc2cccc(F)c2)CC1 ZINC000770704072 1078972575 /nfs/dbraw/zinc/97/25/75/1078972575.db2.gz XFZKJWNEAMECNR-ZDUSSCGKSA-N 1 2 405.495 2.383 20 0 HEADLO C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)N1CC[NH+](CC[S@@](C)=O)CC1 ZINC000746467447 1079017375 /nfs/dbraw/zinc/01/73/75/1079017375.db2.gz KPHDLGXFNWUENF-SONOPUAISA-N 1 2 413.587 2.277 20 0 HEADLO C[C@@H]1C[C@H]([N@@H+]2CCCn3nnc(Cn4ccnc4)c3C2)CN1C(=O)OC(C)(C)C ZINC001168852326 1079052196 /nfs/dbraw/zinc/05/21/96/1079052196.db2.gz BNXFYYWZIJLHRH-CVEARBPZSA-N 1 2 401.515 2.127 20 0 HEADLO C[C@@H]1C[C@H]([N@H+]2CCCn3nnc(Cn4ccnc4)c3C2)CN1C(=O)OC(C)(C)C ZINC001168852326 1079052199 /nfs/dbraw/zinc/05/21/99/1079052199.db2.gz BNXFYYWZIJLHRH-CVEARBPZSA-N 1 2 401.515 2.127 20 0 HEADLO NC(=O)c1ccc(/C=C\C(=O)N2CCC[C@H]2C(=O)OCc2cccc3[nH+]ccn32)cc1 ZINC000770923178 1079082173 /nfs/dbraw/zinc/08/21/73/1079082173.db2.gz YLLNIXRXTAFJQZ-POGDKVGISA-N 1 2 418.453 2.181 20 0 HEADLO CC(C)c1nn([C@@H]2CCS(=O)(=O)C2)cc1C(=O)OCc1cccc2[nH+]ccn21 ZINC000770925136 1079083214 /nfs/dbraw/zinc/08/32/14/1079083214.db2.gz KLXYXFGABXRIKI-OAHLLOKOSA-N 1 2 402.476 2.371 20 0 HEADLO CCOC(=O)c1cnc2n1CC[N@H+]([C@H]1CCN(Cc3ccc(OC)cc3)C(=O)C1)C2 ZINC001168948060 1079084109 /nfs/dbraw/zinc/08/41/09/1079084109.db2.gz QMCQICXAXYHHCF-KRWDZBQOSA-N 1 2 412.490 2.075 20 0 HEADLO CCOC(=O)c1cnc2n1CC[N@@H+]([C@H]1CCN(Cc3ccc(OC)cc3)C(=O)C1)C2 ZINC001168948060 1079084111 /nfs/dbraw/zinc/08/41/11/1079084111.db2.gz QMCQICXAXYHHCF-KRWDZBQOSA-N 1 2 412.490 2.075 20 0 HEADLO O=C(Cc1ccc(Br)cc1Cl)N1CCO[C@H](C[NH+]2CCOCC2)C1 ZINC001169001395 1079096114 /nfs/dbraw/zinc/09/61/14/1079096114.db2.gz BMACMASDOJEAAB-OAHLLOKOSA-N 1 2 417.731 2.205 20 0 HEADLO C[C@]1(c2cccc(Br)c2)C[C@H]1C(=O)N1CCO[C@H](C[NH+]2CCOCC2)C1 ZINC001169002378 1079096801 /nfs/dbraw/zinc/09/68/01/1079096801.db2.gz MQDCTBNVSATJRT-WSTZPKSXSA-N 1 2 423.351 2.286 20 0 HEADLO CCOC(=O)N1[C@@H](c2ccc(C)o2)CC[C@H]1C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000771031851 1079110497 /nfs/dbraw/zinc/11/04/97/1079110497.db2.gz HZCUYSPFPOSGMV-KSZLIROESA-N 1 2 405.495 2.183 20 0 HEADLO CSc1ccc([C@H](O)[C@H](CO)Nc2ccc(OCC[NH+]3CCOCC3)nc2)cc1 ZINC001169090271 1079138676 /nfs/dbraw/zinc/13/86/76/1079138676.db2.gz XFZZDGIMFMBMCB-FPOVZHCZSA-N 1 2 419.547 2.021 20 0 HEADLO COC(=O)[C@@H]1C[C@@H](Nc2cc(-c3nc(COc4ccc(C)cc4)no3)ccn2)C[NH2+]1 ZINC001169128552 1079147693 /nfs/dbraw/zinc/14/76/93/1079147693.db2.gz CMLIIYYVRIOKLM-WBVHZDCISA-N 1 2 409.446 2.334 20 0 HEADLO CCS(=O)(=O)c1cccnc1-n1cc(C[C@@](C)([NH3+])C(=O)OC)c2ccccc21 ZINC001169114387 1079161641 /nfs/dbraw/zinc/16/16/41/1079161641.db2.gz YPJPXGXTOGOEIL-HXUWFJFHSA-N 1 2 401.488 2.252 20 0 HEADLO COC(=O)C[C@@]1(NC(=O)Nc2ccccc2OCCn2cc[nH+]c2)CCCOC1 ZINC000771141866 1079190306 /nfs/dbraw/zinc/19/03/06/1079190306.db2.gz AUTZVGWYTOYYNG-FQEVSTJZSA-N 1 2 402.451 2.196 20 0 HEADLO COC(=O)C[C@]1(NC(=O)Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)CCCOC1 ZINC000771142612 1079191124 /nfs/dbraw/zinc/19/11/24/1079191124.db2.gz CIVWYDWYVUQICS-HRAATJIYSA-N 1 2 405.495 2.314 20 0 HEADLO COc1ccc(OC)c([C@H](O)CNC(=O)CNc2cc[nH+]c(OCC(C)C)c2)c1 ZINC001169440878 1079291514 /nfs/dbraw/zinc/29/15/14/1079291514.db2.gz CWARTBPZUBDVJR-GOSISDBHSA-N 1 2 403.479 2.395 20 0 HEADLO NC(=O)c1nc(Cl)nc(N[C@H]2C[C@H](C(=O)OCc3ccccc3)CCC[NH2+]2)c1F ZINC001169510689 1079317839 /nfs/dbraw/zinc/31/78/39/1079317839.db2.gz GHDFOFAYGUOFBP-OLZOCXBDSA-N 1 2 421.860 2.239 20 0 HEADLO CCOC(=O)N1CC[C@@H](NC(=O)N(Cc2ccccc2)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000771392972 1079319273 /nfs/dbraw/zinc/31/92/73/1079319273.db2.gz OAJFWKRNIYKUII-AZUAARDMSA-N 1 2 418.538 2.150 20 0 HEADLO COC(=O)C1=NOC2(C1)CCN(C(=O)c1cccc(CNc3cc[nH+]c(C)n3)c1)CC2 ZINC000771458144 1079332454 /nfs/dbraw/zinc/33/24/54/1079332454.db2.gz MMONYKZPTSISLC-UHFFFAOYSA-N 1 2 423.473 2.321 20 0 HEADLO CC(=O)N1CCC[C@H]([NH+]2CCN(C3(C)CCN(C(=O)OC(C)(C)C)CC3)CC2)C1 ZINC001169617565 1079354045 /nfs/dbraw/zinc/35/40/45/1079354045.db2.gz SDJGIVGSETWQQR-IBGZPJMESA-N 1 2 408.587 2.405 20 0 HEADLO COc1cc(C(=O)N2CC[NH+](CCc3ccncc3)CC2)cnc1Br ZINC001169678121 1079364942 /nfs/dbraw/zinc/36/49/42/1079364942.db2.gz GPMATXRRFDKLKA-UHFFFAOYSA-N 1 2 405.296 2.248 20 0 HEADLO CC(C)(C)OC(=O)[C@@H]1CC(C(=O)N[C@@H]2CCc3c[nH+]cn3C2)=NN1c1ccccc1 ZINC000804335225 1079369412 /nfs/dbraw/zinc/36/94/12/1079369412.db2.gz VCUXKLSKZYQLSM-BEFAXECRSA-N 1 2 409.490 2.291 20 0 HEADLO CC(C)(C)OC(=O)N[C@]1(C(=O)N[C@@H]2CCc3c[nH+]cn3C2)[C@H]2CCCO[C@@H]2C1(C)C ZINC000804334845 1079373855 /nfs/dbraw/zinc/37/38/55/1079373855.db2.gz KUOIDSCXVZWNLL-SLSYIWNYSA-N 1 2 418.538 2.413 20 0 HEADLO C[NH+]1CCN([C@H](C(=O)Nc2nc(Br)ccc2O)c2ccccc2)CC1 ZINC000771573608 1079376682 /nfs/dbraw/zinc/37/66/82/1079376682.db2.gz BKCATCOXWVHNBD-INIZCTEOSA-N 1 2 405.296 2.477 20 0 HEADLO CC(C)(C)OC(=O)N1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000771560184 1079385121 /nfs/dbraw/zinc/38/51/21/1079385121.db2.gz NPMSBCMBFBYKCN-MKXGPGLRSA-N 1 2 407.555 2.488 20 0 HEADLO O=C(OCc1ccccc1)N1CCCC[C@@H]1C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000771561109 1079385830 /nfs/dbraw/zinc/38/58/30/1079385830.db2.gz OAUYOAMGKQCVMQ-WOJBJXKFSA-N 1 2 401.507 2.111 20 0 HEADLO COc1ccccc1[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000771562574 1079386531 /nfs/dbraw/zinc/38/65/31/1079386531.db2.gz RWIYNJVEOHYZRO-VQIMIIECSA-N 1 2 419.522 2.194 20 0 HEADLO Cc1cccc2nc(CNC(=O)C[NH+]3CCC(NC(=O)OC(C)(C)C)CC3)n(C)c21 ZINC000771616274 1079398912 /nfs/dbraw/zinc/39/89/12/1079398912.db2.gz KPFNKWQZWOUDQV-UHFFFAOYSA-N 1 2 415.538 2.487 20 0 HEADLO COC(=O)C(C)(C)[C@H]1CCC[N@H+](Cn2nc(N3CCOCC3)n(C3CC3)c2=S)C1 ZINC000771630371 1079414581 /nfs/dbraw/zinc/41/45/81/1079414581.db2.gz LLFBNJOIYAYPQU-HNNXBMFYSA-N 1 2 423.583 2.454 20 0 HEADLO COC(=O)C(C)(C)[C@H]1CCC[N@@H+](Cn2nc(N3CCOCC3)n(C3CC3)c2=S)C1 ZINC000771630371 1079414598 /nfs/dbraw/zinc/41/45/98/1079414598.db2.gz LLFBNJOIYAYPQU-HNNXBMFYSA-N 1 2 423.583 2.454 20 0 HEADLO CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000771623232 1079406160 /nfs/dbraw/zinc/40/61/60/1079406160.db2.gz OYSHMYRDBJIGHF-KRWDZBQOSA-N 1 2 420.510 2.145 20 0 HEADLO COc1ccccc1S(=O)(=O)CCC[NH+]1CCC([C@H](O)c2nccn2C)CC1 ZINC000766827632 1079411954 /nfs/dbraw/zinc/41/19/54/1079411954.db2.gz OZBDSTOMYFRORY-IBGZPJMESA-N 1 2 407.536 2.038 20 0 HEADLO COc1ccc(C[NH+]2CCN(C)CC2)cc1Nc1ncc(Br)[nH]c1=O ZINC001169851994 1079447349 /nfs/dbraw/zinc/44/73/49/1079447349.db2.gz KYACGABPLKQYBK-UHFFFAOYSA-N 1 2 408.300 2.032 20 0 HEADLO CS(=O)(=O)C1CCC([N@@H+]2CCO[C@H]3[C@H]2CC[C@H]3COCc2nccs2)CC1 ZINC001169880565 1079454534 /nfs/dbraw/zinc/45/45/34/1079454534.db2.gz OZFNJLMDSDVSIK-MBWDJSEYSA-N 1 2 414.593 2.495 20 0 HEADLO CS(=O)(=O)C1CCC([N@H+]2CCO[C@H]3[C@H]2CC[C@H]3COCc2nccs2)CC1 ZINC001169880565 1079454550 /nfs/dbraw/zinc/45/45/50/1079454550.db2.gz OZFNJLMDSDVSIK-MBWDJSEYSA-N 1 2 414.593 2.495 20 0 HEADLO CS(=O)(=O)C1CCC(N2Cc3c[nH+]cn3C[C@H](COc3ccccn3)C2)CC1 ZINC001169884870 1079458233 /nfs/dbraw/zinc/45/82/33/1079458233.db2.gz KQJUDZOSAKHUEU-LRYGQEGESA-N 1 2 404.536 2.145 20 0 HEADLO C[C@@H]1C[N@H+](CCNC(=O)[C@@H](NC(=O)OCc2ccccc2)c2ccccc2)CCO1 ZINC000737827433 1075933877 /nfs/dbraw/zinc/93/38/77/1075933877.db2.gz SJNJVJUSJLYTHQ-NQIIRXRSSA-N 1 2 411.502 2.491 20 0 HEADLO C[C@@H]1C[N@@H+](CCNC(=O)[C@@H](NC(=O)OCc2ccccc2)c2ccccc2)CCO1 ZINC000737827433 1075933886 /nfs/dbraw/zinc/93/38/86/1075933886.db2.gz SJNJVJUSJLYTHQ-NQIIRXRSSA-N 1 2 411.502 2.491 20 0 HEADLO CC[C@@]1(C(C)C)NC(=O)N(C[NH+]2CCC(C(=O)NCc3ccccc3)CC2)C1=O ZINC000738022695 1075952208 /nfs/dbraw/zinc/95/22/08/1075952208.db2.gz LZTYQCDZQZDANU-QFIPXVFZSA-N 1 2 400.523 2.329 20 0 HEADLO C[N@H+](C[C@H]1CCCO1)CN1C(=O)N[C@@](C)(c2ccc(OC(F)(F)F)cc2)C1=O ZINC000738065654 1075962491 /nfs/dbraw/zinc/96/24/91/1075962491.db2.gz KPULHKCQAZZNBB-PBHICJAKSA-N 1 2 401.385 2.421 20 0 HEADLO C[N@@H+](C[C@H]1CCCO1)CN1C(=O)N[C@@](C)(c2ccc(OC(F)(F)F)cc2)C1=O ZINC000738065654 1075962497 /nfs/dbraw/zinc/96/24/97/1075962497.db2.gz KPULHKCQAZZNBB-PBHICJAKSA-N 1 2 401.385 2.421 20 0 HEADLO CCOC(=O)c1ccc(N2CCC[N@H+](CN3C(=O)C[C@](C)(C(C)C)C3=O)CC2)nc1 ZINC000738113277 1075966735 /nfs/dbraw/zinc/96/67/35/1075966735.db2.gz XXGHAEZQCDUYFT-JOCHJYFZSA-N 1 2 416.522 2.149 20 0 HEADLO CCOC(=O)c1ccc(N2CCC[N@@H+](CN3C(=O)C[C@](C)(C(C)C)C3=O)CC2)nc1 ZINC000738113277 1075966737 /nfs/dbraw/zinc/96/67/37/1075966737.db2.gz XXGHAEZQCDUYFT-JOCHJYFZSA-N 1 2 416.522 2.149 20 0 HEADLO CN(C[C@@H]1CC[N@@H+]1CC(=O)NC1CCCCCCC1)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001085733279 1075968191 /nfs/dbraw/zinc/96/81/91/1075968191.db2.gz ZYNIBGYAGRNCQD-NHHWGVFUSA-N 1 2 403.567 2.172 20 0 HEADLO CN(C[C@@H]1CC[N@H+]1CC(=O)NC1CCCCCCC1)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001085733279 1075968198 /nfs/dbraw/zinc/96/81/98/1075968198.db2.gz ZYNIBGYAGRNCQD-NHHWGVFUSA-N 1 2 403.567 2.172 20 0 HEADLO CC(=O)N1CCCCC[C@H]1C1CC[NH+](CN2C(=O)C[C@@]3(CCSC3)C2=O)CC1 ZINC000738220991 1075975116 /nfs/dbraw/zinc/97/51/16/1075975116.db2.gz OPMLDNXLKMMFLZ-GHTZIAJQSA-N 1 2 407.580 2.329 20 0 HEADLO O=C(NCCN1CC[NH+](C[C@@H](O)c2ccc(F)c(F)c2)CC1)c1ccccc1F ZINC000738330754 1075982881 /nfs/dbraw/zinc/98/28/81/1075982881.db2.gz VUTSZEUJLHGMEJ-HXUWFJFHSA-N 1 2 407.436 2.185 20 0 HEADLO CCOC(=O)C1C(C[N@H+]2CCC[C@@H](OCC)C2)=NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000738321389 1075989337 /nfs/dbraw/zinc/98/93/37/1075989337.db2.gz VVJOJJGDMOWNQT-XLIONFOSSA-N 1 2 417.506 2.367 20 0 HEADLO CCOC(=O)C1C(C[N@@H+]2CCC[C@@H](OCC)C2)=NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000738321389 1075989340 /nfs/dbraw/zinc/98/93/40/1075989340.db2.gz VVJOJJGDMOWNQT-XLIONFOSSA-N 1 2 417.506 2.367 20 0 HEADLO CCOC(=O)C1=C(C[N@H+]2CCC[C@@H](OCC)C2)NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000738321389 1075989342 /nfs/dbraw/zinc/98/93/42/1075989342.db2.gz VVJOJJGDMOWNQT-XLIONFOSSA-N 1 2 417.506 2.367 20 0 HEADLO CCOC(=O)C1=C(C[N@@H+]2CCC[C@@H](OCC)C2)NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000738321389 1075989344 /nfs/dbraw/zinc/98/93/44/1075989344.db2.gz VVJOJJGDMOWNQT-XLIONFOSSA-N 1 2 417.506 2.367 20 0 HEADLO COc1ccc(CNC(C)=O)cc1S(=O)(=O)Oc1cccc(-n2cc[nH+]c2)c1 ZINC000738391222 1075993206 /nfs/dbraw/zinc/99/32/06/1075993206.db2.gz HWDWOUKXASHWOA-UHFFFAOYSA-N 1 2 401.444 2.285 20 0 HEADLO C[C@@H](CNS(=O)(=O)/C=C/c1cccc(Br)c1)C[NH+]1CCOCC1 ZINC000738412818 1075995306 /nfs/dbraw/zinc/99/53/06/1075995306.db2.gz HFNIMJVQPZHYRY-SEIPJRMCSA-N 1 2 403.342 2.308 20 0 HEADLO Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC000738472791 1076003871 /nfs/dbraw/zinc/00/38/71/1076003871.db2.gz SAQKKFQWJDAMQP-QZTJIDSGSA-N 1 2 407.580 2.391 20 0 HEADLO OC[C@H]1CCCN(c2cc(NC[C@H](O)c3cc(Cl)c4c(c3)OCCO4)[nH+]cn2)C1 ZINC000739900501 1076086079 /nfs/dbraw/zinc/08/60/79/1076086079.db2.gz DCLZYPSOAOJOBP-BBRMVZONSA-N 1 2 420.897 2.255 20 0 HEADLO OC[C@H]1CCCN(c2cc(NC[C@H](O)c3cc(Cl)c4c(c3)OCCO4)nc[nH+]2)C1 ZINC000739900501 1076086083 /nfs/dbraw/zinc/08/60/83/1076086083.db2.gz DCLZYPSOAOJOBP-BBRMVZONSA-N 1 2 420.897 2.255 20 0 HEADLO CC(=O)N1CC[N@H+](CC(=O)Nc2ccc(N3CCOCC3)cc2)CC12CCCCC2 ZINC000766243641 1076102261 /nfs/dbraw/zinc/10/22/61/1076102261.db2.gz AJSVDKSCXDQPGF-UHFFFAOYSA-N 1 2 414.550 2.329 20 0 HEADLO CC(=O)N1CC[N@@H+](CC(=O)Nc2ccc(N3CCOCC3)cc2)CC12CCCCC2 ZINC000766243641 1076102272 /nfs/dbraw/zinc/10/22/72/1076102272.db2.gz AJSVDKSCXDQPGF-UHFFFAOYSA-N 1 2 414.550 2.329 20 0 HEADLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)Nc1ccc(O[C@H]2CCOC2)cc1 ZINC000740490496 1076171715 /nfs/dbraw/zinc/17/17/15/1076171715.db2.gz DSGFTYVMPGTCBJ-ROUUACIJSA-N 1 2 400.479 2.220 20 0 HEADLO C[C@H](CNC(=O)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1)Cn1cc[nH+]c1 ZINC000740727554 1076217417 /nfs/dbraw/zinc/21/74/17/1076217417.db2.gz SUPRDRDEBPOLMW-MOVXZBDNSA-N 1 2 416.547 2.348 20 0 HEADLO C[C@H](CNC(=O)C1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1)Cn1cc[nH+]c1 ZINC000740727552 1076217607 /nfs/dbraw/zinc/21/76/07/1076217607.db2.gz SUPRDRDEBPOLMW-GIIHOQTISA-N 1 2 416.547 2.348 20 0 HEADLO C[C@@H]1C[N@H+](CN2C(=O)N[C@@H](Cc3ccccc3)C2=O)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000740858069 1076270224 /nfs/dbraw/zinc/27/02/24/1076270224.db2.gz UJTKFMGLQRUPKT-NJAFHUGGSA-N 1 2 416.522 2.342 20 0 HEADLO C[C@@H]1C[N@@H+](CN2C(=O)N[C@@H](Cc3ccccc3)C2=O)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000740858069 1076270228 /nfs/dbraw/zinc/27/02/28/1076270228.db2.gz UJTKFMGLQRUPKT-NJAFHUGGSA-N 1 2 416.522 2.342 20 0 HEADLO Cc1cc(=O)oc2cc(OCC[N@H+](C[C@H]3CCCO3)[C@@H]3CCS(=O)(=O)C3)ccc12 ZINC000740877406 1076278331 /nfs/dbraw/zinc/27/83/31/1076278331.db2.gz FYCCOBQDRLNKQG-SJLPKXTDSA-N 1 2 421.515 2.148 20 0 HEADLO Cc1cc(=O)oc2cc(OCC[N@@H+](C[C@H]3CCCO3)[C@@H]3CCS(=O)(=O)C3)ccc12 ZINC000740877406 1076278337 /nfs/dbraw/zinc/27/83/37/1076278337.db2.gz FYCCOBQDRLNKQG-SJLPKXTDSA-N 1 2 421.515 2.148 20 0 HEADLO C[C@@H]1C[N@H+](Cc2ccc(S(=O)(=O)N(C)C)o2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000740881064 1076281109 /nfs/dbraw/zinc/28/11/09/1076281109.db2.gz GKIHRZFRNNBCDI-UKRRQHHQSA-N 1 2 401.529 2.265 20 0 HEADLO C[C@@H]1C[N@@H+](Cc2ccc(S(=O)(=O)N(C)C)o2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000740881064 1076281119 /nfs/dbraw/zinc/28/11/19/1076281119.db2.gz GKIHRZFRNNBCDI-UKRRQHHQSA-N 1 2 401.529 2.265 20 0 HEADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)N[C@@H]2C[C@@H]2c2c(F)cccc2Cl)CC1 ZINC000740916036 1076304103 /nfs/dbraw/zinc/30/41/03/1076304103.db2.gz WKWASZWQGUCXHU-XJKSGUPXSA-N 1 2 417.934 2.143 20 0 HEADLO CCOc1ccc(F)c(C(=O)OCC(=O)N2CC[NH+](Cc3cccs3)CC2)c1N ZINC000741039459 1076335446 /nfs/dbraw/zinc/33/54/46/1076335446.db2.gz GZSOZJOXKNLTEN-UHFFFAOYSA-N 1 2 421.494 2.369 20 0 HEADLO CC[NH+](CC)[C@H](C(=O)OCC(=O)N1CCNC1=O)c1cccc(C(F)(F)F)c1 ZINC000741025385 1076341541 /nfs/dbraw/zinc/34/15/41/1076341541.db2.gz FXXBTAPHUYBBRG-HNNXBMFYSA-N 1 2 401.385 2.183 20 0 HEADLO Cc1cc(C(=O)COC(=O)[C@H](C)[NH+]2CCCCCC2)c(C)n1[C@H]1CCS(=O)(=O)C1 ZINC000741028669 1076343288 /nfs/dbraw/zinc/34/32/88/1076343288.db2.gz IBLJIBVPAFOJMV-ROUUACIJSA-N 1 2 424.563 2.455 20 0 HEADLO O=C(NC[C@@H](O)c1c(F)cccc1F)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000741087345 1076350113 /nfs/dbraw/zinc/35/01/13/1076350113.db2.gz WHFMQFQCOSJLRL-FXAWDEMLSA-N 1 2 419.472 2.241 20 0 HEADLO CCn1c(=O)c2ccc(C(=O)OC[C@@H]3C[N@H+](CC(C)C)CCO3)cc2[nH]c1=S ZINC000741117895 1076377825 /nfs/dbraw/zinc/37/78/25/1076377825.db2.gz IWIXJAXQPYNVDI-HNNXBMFYSA-N 1 2 405.520 2.219 20 0 HEADLO CCn1c(=O)c2ccc(C(=O)OC[C@@H]3C[N@@H+](CC(C)C)CCO3)cc2[nH]c1=S ZINC000741117895 1076377834 /nfs/dbraw/zinc/37/78/34/1076377834.db2.gz IWIXJAXQPYNVDI-HNNXBMFYSA-N 1 2 405.520 2.219 20 0 HEADLO CCn1c(=O)c2ccc(C(=O)OC[C@H]3C[N@H+](CC(C)C)CCO3)cc2[nH]c1=S ZINC000741117896 1076377931 /nfs/dbraw/zinc/37/79/31/1076377931.db2.gz IWIXJAXQPYNVDI-OAHLLOKOSA-N 1 2 405.520 2.219 20 0 HEADLO CCn1c(=O)c2ccc(C(=O)OC[C@H]3C[N@@H+](CC(C)C)CCO3)cc2[nH]c1=S ZINC000741117896 1076377936 /nfs/dbraw/zinc/37/79/36/1076377936.db2.gz IWIXJAXQPYNVDI-OAHLLOKOSA-N 1 2 405.520 2.219 20 0 HEADLO CC(C)(C)OC(=O)N1CCN(CC(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)C(=O)C1 ZINC000741181251 1076398115 /nfs/dbraw/zinc/39/81/15/1076398115.db2.gz MITXCJZHHCFFOW-UHFFFAOYSA-N 1 2 417.441 2.029 20 0 HEADLO COC[C@]1(C)NC(=O)N(C[N@H+](C)CC2(c3ccc(Br)cc3)CC2)C1=O ZINC000741242443 1076433292 /nfs/dbraw/zinc/43/32/92/1076433292.db2.gz PJCUTERSZNVRKB-KRWDZBQOSA-N 1 2 410.312 2.327 20 0 HEADLO COC[C@]1(C)NC(=O)N(C[N@@H+](C)CC2(c3ccc(Br)cc3)CC2)C1=O ZINC000741242443 1076433296 /nfs/dbraw/zinc/43/32/96/1076433296.db2.gz PJCUTERSZNVRKB-KRWDZBQOSA-N 1 2 410.312 2.327 20 0 HEADLO CCOC(=O)[C@H]1C[N@H+](CCC(=O)Nc2ccc(Br)cc2F)CCO1 ZINC000741253222 1076444312 /nfs/dbraw/zinc/44/43/12/1076444312.db2.gz ZWCVHLBNQSCXBK-CQSZACIVSA-N 1 2 403.248 2.181 20 0 HEADLO CCOC(=O)[C@H]1C[N@@H+](CCC(=O)Nc2ccc(Br)cc2F)CCO1 ZINC000741253222 1076444316 /nfs/dbraw/zinc/44/43/16/1076444316.db2.gz ZWCVHLBNQSCXBK-CQSZACIVSA-N 1 2 403.248 2.181 20 0 HEADLO C[C@H](OC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1)C(=O)NC(=O)Nc1ccccc1 ZINC000741387847 1076496077 /nfs/dbraw/zinc/49/60/77/1076496077.db2.gz QJGJSDASFOOCLI-QFBILLFUSA-N 1 2 411.458 2.167 20 0 HEADLO C[C@H](OC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1)C(=O)NC(=O)Nc1ccccc1 ZINC000741387847 1076496082 /nfs/dbraw/zinc/49/60/82/1076496082.db2.gz QJGJSDASFOOCLI-QFBILLFUSA-N 1 2 411.458 2.167 20 0 HEADLO C[C@@H]1CCCC[C@@H]1OCCNC(=O)COC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000741389675 1076497122 /nfs/dbraw/zinc/49/71/22/1076497122.db2.gz WUSHXMBOYRCNLG-HLAWJBBLSA-N 1 2 418.534 2.142 20 0 HEADLO C[C@@H]1CCCC[C@@H]1OCCNC(=O)COC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000741389675 1076497128 /nfs/dbraw/zinc/49/71/28/1076497128.db2.gz WUSHXMBOYRCNLG-HLAWJBBLSA-N 1 2 418.534 2.142 20 0 HEADLO Cc1ccccc1C[C@H](C)NC(=O)COC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000741380540 1076505608 /nfs/dbraw/zinc/50/56/08/1076505608.db2.gz CGDFXHKHIPEWPV-SIKLNZKXSA-N 1 2 410.514 2.486 20 0 HEADLO Cc1ccccc1C[C@H](C)NC(=O)COC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000741380540 1076505613 /nfs/dbraw/zinc/50/56/13/1076505613.db2.gz CGDFXHKHIPEWPV-SIKLNZKXSA-N 1 2 410.514 2.486 20 0 HEADLO C[C@H](OC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1)C(=O)N[C@H]1CCOc2ccccc21 ZINC000741380653 1076505990 /nfs/dbraw/zinc/50/59/90/1076505990.db2.gz DDBKKSASAPAHGT-XJABCFGWSA-N 1 2 424.497 2.459 20 0 HEADLO C[C@H](OC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)C(=O)N[C@H]1CCOc2ccccc21 ZINC000741380653 1076505997 /nfs/dbraw/zinc/50/59/97/1076505997.db2.gz DDBKKSASAPAHGT-XJABCFGWSA-N 1 2 424.497 2.459 20 0 HEADLO C[C@@H](OC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1)C(=O)NCc1ccccc1F ZINC000741380471 1076506014 /nfs/dbraw/zinc/50/60/14/1076506014.db2.gz UBUMLYYSSGDEAE-OXQOHEQNSA-N 1 2 400.450 2.275 20 0 HEADLO C[C@@H](OC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1)C(=O)NCc1ccccc1F ZINC000741380471 1076506020 /nfs/dbraw/zinc/50/60/20/1076506020.db2.gz UBUMLYYSSGDEAE-OXQOHEQNSA-N 1 2 400.450 2.275 20 0 HEADLO C[C@@H](OC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1)C(=O)N1CCc2ccccc2C1 ZINC000741382526 1076507341 /nfs/dbraw/zinc/50/73/41/1076507341.db2.gz OSCIHPYTAXUAHR-XMSQKQJNSA-N 1 2 408.498 2.404 20 0 HEADLO C[C@@H](OC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1)C(=O)N1CCc2ccccc2C1 ZINC000741382526 1076507344 /nfs/dbraw/zinc/50/73/44/1076507344.db2.gz OSCIHPYTAXUAHR-XMSQKQJNSA-N 1 2 408.498 2.404 20 0 HEADLO C[C@@H](NC(=O)COC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1)c1ccc(F)cc1 ZINC000741386139 1076509226 /nfs/dbraw/zinc/50/92/26/1076509226.db2.gz VEBYSVRJMSCHQM-OXQOHEQNSA-N 1 2 400.450 2.447 20 0 HEADLO C[C@@H](NC(=O)COC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ccc(F)cc1 ZINC000741386139 1076509230 /nfs/dbraw/zinc/50/92/30/1076509230.db2.gz VEBYSVRJMSCHQM-OXQOHEQNSA-N 1 2 400.450 2.447 20 0 HEADLO COc1cccc(Oc2ncccc2CNC(=O)NCC[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000741408810 1076512994 /nfs/dbraw/zinc/51/29/94/1076512994.db2.gz QYZUYTZYVXQNQG-INIZCTEOSA-N 1 2 400.479 2.402 20 0 HEADLO COc1cccc(Oc2ncccc2CNC(=O)NCC[N@H+]2CCO[C@@H](C)C2)c1 ZINC000741408810 1076513001 /nfs/dbraw/zinc/51/30/01/1076513001.db2.gz QYZUYTZYVXQNQG-INIZCTEOSA-N 1 2 400.479 2.402 20 0 HEADLO CN(C)c1ccc([NH+]2CCC(NC(=O)[C@H]3CC(=O)N(Cc4ccccn4)C3)CC2)cc1 ZINC000741982792 1076702397 /nfs/dbraw/zinc/70/23/97/1076702397.db2.gz JCGGNDABIVNTKZ-SFHVURJKSA-N 1 2 421.545 2.281 20 0 HEADLO C[N@@H+]1CCc2nc(NC(=O)CN(C[C@@H]3CCCO3)C(=O)OC(C)(C)C)sc2C1 ZINC000742052206 1076719186 /nfs/dbraw/zinc/71/91/86/1076719186.db2.gz KCONHTLAWADBLB-ZDUSSCGKSA-N 1 2 410.540 2.486 20 0 HEADLO C[N@H+]1CCc2nc(NC(=O)CN(C[C@@H]3CCCO3)C(=O)OC(C)(C)C)sc2C1 ZINC000742052206 1076719192 /nfs/dbraw/zinc/71/91/92/1076719192.db2.gz KCONHTLAWADBLB-ZDUSSCGKSA-N 1 2 410.540 2.486 20 0 HEADLO CCC1(O)CC[NH+](CN2C(=O)N[C@@](C)(c3ccc(Br)s3)C2=O)CC1 ZINC000742172105 1076763849 /nfs/dbraw/zinc/76/38/49/1076763849.db2.gz WSJBUDOKJMOXDF-HNNXBMFYSA-N 1 2 416.341 2.472 20 0 HEADLO COC(=O)[C@H](C)C[N@@H+](Cc1ccccc1)CN1C(=O)C(=O)N(Cc2ccccc2)C1=O ZINC000742150109 1076766864 /nfs/dbraw/zinc/76/68/64/1076766864.db2.gz OEFWVQHJBGASOD-QGZVFWFLSA-N 1 2 423.469 2.246 20 0 HEADLO COC(=O)[C@H](C)C[N@H+](Cc1ccccc1)CN1C(=O)C(=O)N(Cc2ccccc2)C1=O ZINC000742150109 1076766870 /nfs/dbraw/zinc/76/68/70/1076766870.db2.gz OEFWVQHJBGASOD-QGZVFWFLSA-N 1 2 423.469 2.246 20 0 HEADLO CN(C)S(=O)(=O)c1cc(C(=O)N2CCC([N@H+](C)CC(F)F)CC2)ccc1Cl ZINC000742236767 1076802960 /nfs/dbraw/zinc/80/29/60/1076802960.db2.gz FUSYNPQVTVKLNH-UHFFFAOYSA-N 1 2 423.913 2.392 20 0 HEADLO CN(C)S(=O)(=O)c1cc(C(=O)N2CCC([N@@H+](C)CC(F)F)CC2)ccc1Cl ZINC000742236767 1076802963 /nfs/dbraw/zinc/80/29/63/1076802963.db2.gz FUSYNPQVTVKLNH-UHFFFAOYSA-N 1 2 423.913 2.392 20 0 HEADLO Cc1cc(NC(=O)[C@H](C)SCC(=O)N2CCC([N@H+](C)CC(F)F)CC2)no1 ZINC000742237082 1076803307 /nfs/dbraw/zinc/80/33/07/1076803307.db2.gz FJHSHNPYQQCTNJ-LBPRGKRZSA-N 1 2 404.483 2.231 20 0 HEADLO Cc1cc(NC(=O)[C@H](C)SCC(=O)N2CCC([N@@H+](C)CC(F)F)CC2)no1 ZINC000742237082 1076803308 /nfs/dbraw/zinc/80/33/08/1076803308.db2.gz FJHSHNPYQQCTNJ-LBPRGKRZSA-N 1 2 404.483 2.231 20 0 HEADLO C[N@H+](CC(F)F)C1CCN(C(=O)c2cccc(S(=O)(=O)NCC3CC3)c2)CC1 ZINC000742237924 1076803354 /nfs/dbraw/zinc/80/33/54/1076803354.db2.gz UKFIUFCQBDOTRM-UHFFFAOYSA-N 1 2 415.506 2.176 20 0 HEADLO C[N@@H+](CC(F)F)C1CCN(C(=O)c2cccc(S(=O)(=O)NCC3CC3)c2)CC1 ZINC000742237924 1076803357 /nfs/dbraw/zinc/80/33/57/1076803357.db2.gz UKFIUFCQBDOTRM-UHFFFAOYSA-N 1 2 415.506 2.176 20 0 HEADLO C[C@@H]1CN(C(=O)C[NH2+][C@H](c2ccc(F)cc2)c2cccc(S(C)(=O)=O)c2)CCO1 ZINC000742262859 1076810744 /nfs/dbraw/zinc/81/07/44/1076810744.db2.gz DZEJDZWRLOPNIF-QVKFZJNVSA-N 1 2 420.506 2.156 20 0 HEADLO O=S(=O)(/C=C/c1ccccc1Br)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000742316406 1076828631 /nfs/dbraw/zinc/82/86/31/1076828631.db2.gz IRRBVTPZQKCPMO-MFMIUCCHSA-N 1 2 415.353 2.404 20 0 HEADLO CN(C)c1ccc([NH+]2CCC(NS(=O)(=O)c3cccc4c3OCCO4)CC2)cc1 ZINC000742317573 1076828690 /nfs/dbraw/zinc/82/86/90/1076828690.db2.gz NEAXESXUZJLYEP-UHFFFAOYSA-N 1 2 417.531 2.471 20 0 HEADLO CC(=O)NC[C@@H]1CCC[N@H+](CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)C1 ZINC000742557165 1076851495 /nfs/dbraw/zinc/85/14/95/1076851495.db2.gz BRMYNSLSLQIHSR-IBGZPJMESA-N 1 2 420.513 2.288 20 0 HEADLO CC(=O)NC[C@@H]1CCC[N@@H+](CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)C1 ZINC000742557165 1076851496 /nfs/dbraw/zinc/85/14/96/1076851496.db2.gz BRMYNSLSLQIHSR-IBGZPJMESA-N 1 2 420.513 2.288 20 0 HEADLO COc1ccc(-c2ncc(C(=O)NC3CC[NH+](CCS(C)(=O)=O)CC3)s2)cc1 ZINC000742656959 1076865236 /nfs/dbraw/zinc/86/52/36/1076865236.db2.gz LAFPPIYRRZTBRU-UHFFFAOYSA-N 1 2 423.560 2.058 20 0 HEADLO O=C(c1nc(NCc2ccco2)ncc1Cl)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000742763607 1076874894 /nfs/dbraw/zinc/87/48/94/1076874894.db2.gz WDRMQJXDIMQJRW-CQSZACIVSA-N 1 2 405.886 2.272 20 0 HEADLO CNS(=O)(=O)c1ccccc1N1CC[NH+](C[C@@H](O)c2cccc(Cl)c2)CC1 ZINC000743270239 1077021011 /nfs/dbraw/zinc/02/10/11/1077021011.db2.gz FSAOAUJINZVWKS-GOSISDBHSA-N 1 2 409.939 2.104 20 0 HEADLO C[C@H]1C[NH+](CN2C(=O)NC3(CCN(C(=O)OC(C)(C)C)CC3)C2=O)C[C@H](C)S1 ZINC000743374515 1077031632 /nfs/dbraw/zinc/03/16/32/1077031632.db2.gz DDXHPYCPZCFWBH-KBPBESRZSA-N 1 2 412.556 2.091 20 0 HEADLO C[C@@H]1C[N@@H+](CN2C(=O)N[C@](C)(c3cccc(N4CCOC4=O)c3)C2=O)C[C@H](C)S1 ZINC000743374549 1077033078 /nfs/dbraw/zinc/03/30/78/1077033078.db2.gz DUXWMTDEXFGCIQ-LAPQFRIASA-N 1 2 418.519 2.194 20 0 HEADLO C[C@@H]1C[N@H+](CN2C(=O)N[C@](C)(c3cccc(N4CCOC4=O)c3)C2=O)C[C@H](C)S1 ZINC000743374549 1077033081 /nfs/dbraw/zinc/03/30/81/1077033081.db2.gz DUXWMTDEXFGCIQ-LAPQFRIASA-N 1 2 418.519 2.194 20 0 HEADLO CS(=O)(=O)N[C@H]1CC[N@H+](Cn2ncc3cc(OCc4ccccc4)ccc32)C1 ZINC000743364279 1077033493 /nfs/dbraw/zinc/03/34/93/1077033493.db2.gz CKWKNCYIPUBVSM-SFHVURJKSA-N 1 2 400.504 2.196 20 0 HEADLO CS(=O)(=O)N[C@H]1CC[N@@H+](Cn2ncc3cc(OCc4ccccc4)ccc32)C1 ZINC000743364279 1077033496 /nfs/dbraw/zinc/03/34/96/1077033496.db2.gz CKWKNCYIPUBVSM-SFHVURJKSA-N 1 2 400.504 2.196 20 0 HEADLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)C(=O)Nc1cccc(Cl)c1-n1cncn1 ZINC000743401873 1077043578 /nfs/dbraw/zinc/04/35/78/1077043578.db2.gz KCDYUJREJJDZML-UHFFFAOYSA-N 1 2 421.848 2.361 20 0 HEADLO CO[C@@H](C)C(=O)Nc1cccc(NC(=O)C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000743403414 1077047185 /nfs/dbraw/zinc/04/71/85/1077047185.db2.gz LILZKRORABOWTF-HNNXBMFYSA-N 1 2 421.457 2.101 20 0 HEADLO COC(=O)/C(C)=C/CSc1nc2ccsc2c(=O)n1CCC[NH+]1CCOCC1 ZINC000743454360 1077052294 /nfs/dbraw/zinc/05/22/94/1077052294.db2.gz WEFMRGURLFBDPG-LNKIKWGQSA-N 1 2 423.560 2.392 20 0 HEADLO CC(C)(C)OC(=O)NC[C@H]1CCCC[C@H]1NC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000743622938 1077076691 /nfs/dbraw/zinc/07/66/91/1077076691.db2.gz SDZDPSNMHVTVCG-IAGOWNOFSA-N 1 2 412.575 2.480 20 0 HEADLO CC(C)(C)OC(=O)NC[C@H]1CCCC[C@H]1NC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000743622938 1077076697 /nfs/dbraw/zinc/07/66/97/1077076697.db2.gz SDZDPSNMHVTVCG-IAGOWNOFSA-N 1 2 412.575 2.480 20 0 HEADLO CN(C[C@H]1CCC[N@@H+]1C[C@H](O)c1ccc(S(C)(=O)=O)cc1)C(=O)OC(C)(C)C ZINC000743865516 1077150282 /nfs/dbraw/zinc/15/02/82/1077150282.db2.gz CLFMKKGPWXXYFG-AEFFLSMTSA-N 1 2 412.552 2.455 20 0 HEADLO CN(C[C@H]1CCC[N@H+]1C[C@H](O)c1ccc(S(C)(=O)=O)cc1)C(=O)OC(C)(C)C ZINC000743865516 1077150304 /nfs/dbraw/zinc/15/03/04/1077150304.db2.gz CLFMKKGPWXXYFG-AEFFLSMTSA-N 1 2 412.552 2.455 20 0 HEADLO CN(C[C@@H]1CCC[N@@H+]1C[C@@H](O)c1ccc(S(C)(=O)=O)cc1)C(=O)OC(C)(C)C ZINC000743865517 1077150699 /nfs/dbraw/zinc/15/06/99/1077150699.db2.gz CLFMKKGPWXXYFG-FUHWJXTLSA-N 1 2 412.552 2.455 20 0 HEADLO CN(C[C@@H]1CCC[N@H+]1C[C@@H](O)c1ccc(S(C)(=O)=O)cc1)C(=O)OC(C)(C)C ZINC000743865517 1077150726 /nfs/dbraw/zinc/15/07/26/1077150726.db2.gz CLFMKKGPWXXYFG-FUHWJXTLSA-N 1 2 412.552 2.455 20 0 HEADLO C[C@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)C(=O)NCCn2cc[nH+]c2)cc1 ZINC000743880074 1077163906 /nfs/dbraw/zinc/16/39/06/1077163906.db2.gz MRPUYUYKEIJLLC-AWEZNQCLSA-N 1 2 401.467 2.224 20 0 HEADLO Cc1c(NC(=O)C(=O)NCCCCNc2cccc[nH+]2)cccc1N1CCOC1=O ZINC000743915858 1077197333 /nfs/dbraw/zinc/19/73/33/1077197333.db2.gz OGDMNLKQLZOTBW-UHFFFAOYSA-N 1 2 411.462 2.294 20 0 HEADLO Cc1ccc(N2CCOC2=O)cc1NC(=O)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000743899309 1077212390 /nfs/dbraw/zinc/21/23/90/1077212390.db2.gz SFOHZPQPJXLBNC-UHFFFAOYSA-N 1 2 408.458 2.022 20 0 HEADLO C[C@](O)(CNC(=O)C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)c1ccco1 ZINC000743937342 1077228819 /nfs/dbraw/zinc/22/88/19/1077228819.db2.gz WLJWNHLCQZRMPP-QFIPXVFZSA-N 1 2 408.458 2.442 20 0 HEADLO CN(C)c1ccc([NH+]2CCC(NC(=O)C(=O)Nc3ccc4c(c3)CCO4)CC2)cc1 ZINC000743944097 1077238816 /nfs/dbraw/zinc/23/88/16/1077238816.db2.gz DEWKWNUBAZYSEN-UHFFFAOYSA-N 1 2 408.502 2.411 20 0 HEADLO O=C(NCc1ccccc1OCC[NH+]1CCOCC1)NC[C@H](O)c1cccc(F)c1 ZINC000744292150 1077357754 /nfs/dbraw/zinc/35/77/54/1077357754.db2.gz VGCUHRUZMOKYOB-FQEVSTJZSA-N 1 2 417.481 2.070 20 0 HEADLO COCc1cccc(CNC(=O)C[N@@H+]2CCc3c(cccc3N3CCOC3=O)C2)c1 ZINC000744413115 1077384691 /nfs/dbraw/zinc/38/46/91/1077384691.db2.gz AXRLATHNHQXAMS-UHFFFAOYSA-N 1 2 409.486 2.464 20 0 HEADLO COCc1cccc(CNC(=O)C[N@H+]2CCc3c(cccc3N3CCOC3=O)C2)c1 ZINC000744413115 1077384701 /nfs/dbraw/zinc/38/47/01/1077384701.db2.gz AXRLATHNHQXAMS-UHFFFAOYSA-N 1 2 409.486 2.464 20 0 HEADLO CNC(=O)c1cccc(NC(=O)[C@@H](C)[N@@H+]2CCc3c(cccc3N3CCOC3=O)C2)c1 ZINC000744413173 1077384744 /nfs/dbraw/zinc/38/47/44/1077384744.db2.gz VYQTWRQFIZXLSS-OAHLLOKOSA-N 1 2 422.485 2.388 20 0 HEADLO CNC(=O)c1cccc(NC(=O)[C@@H](C)[N@H+]2CCc3c(cccc3N3CCOC3=O)C2)c1 ZINC000744413173 1077384749 /nfs/dbraw/zinc/38/47/49/1077384749.db2.gz VYQTWRQFIZXLSS-OAHLLOKOSA-N 1 2 422.485 2.388 20 0 HEADLO CC(C)[C@@H]1C[N@H+](CC(=O)NN2C(=O)N[C@@](C)(CCc3ccccc3)C2=O)CCS1 ZINC000744422510 1077386351 /nfs/dbraw/zinc/38/63/51/1077386351.db2.gz GPGYWQQORAYLMH-UWJYYQICSA-N 1 2 418.563 2.034 20 0 HEADLO CC(C)[C@@H]1C[N@@H+](CC(=O)NN2C(=O)N[C@@](C)(CCc3ccccc3)C2=O)CCS1 ZINC000744422510 1077386355 /nfs/dbraw/zinc/38/63/55/1077386355.db2.gz GPGYWQQORAYLMH-UWJYYQICSA-N 1 2 418.563 2.034 20 0 HEADLO Cc1nc(C(C)(C)[NH2+]CC(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)sc1C ZINC000744424547 1077388506 /nfs/dbraw/zinc/38/85/06/1077388506.db2.gz PZQHZBDANIYHCP-UHFFFAOYSA-N 1 2 407.540 2.117 20 0 HEADLO CC[N@@H+]1CCCC[C@H]1C(=O)O[C@H](C)C(=O)Nc1cc(C(=O)OC)cc(C(=O)OC)c1 ZINC000745086912 1077724069 /nfs/dbraw/zinc/72/40/69/1077724069.db2.gz PLFLERGMOQKASP-DYVFJYSZSA-N 1 2 420.462 2.004 20 0 HEADLO CC[N@H+]1CCCC[C@H]1C(=O)O[C@H](C)C(=O)Nc1cc(C(=O)OC)cc(C(=O)OC)c1 ZINC000745086912 1077724077 /nfs/dbraw/zinc/72/40/77/1077724077.db2.gz PLFLERGMOQKASP-DYVFJYSZSA-N 1 2 420.462 2.004 20 0 HEADLO CC[N@@H+]1CCCC[C@H]1C(=O)OCC(=O)N1CCN(Cc2cccc(Cl)c2)CC1 ZINC000745088088 1077725137 /nfs/dbraw/zinc/72/51/37/1077725137.db2.gz TVHKTZJWUOGXBV-IBGZPJMESA-N 1 2 407.942 2.402 20 0 HEADLO CC[N@H+]1CCCC[C@H]1C(=O)OCC(=O)N1CCN(Cc2cccc(Cl)c2)CC1 ZINC000745088088 1077725142 /nfs/dbraw/zinc/72/51/42/1077725142.db2.gz TVHKTZJWUOGXBV-IBGZPJMESA-N 1 2 407.942 2.402 20 0 HEADLO CCOC(=O)[C@@H]1CCCN(C(=O)[C@H](C)OC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC000745099399 1077730462 /nfs/dbraw/zinc/73/04/62/1077730462.db2.gz IPCKBJADDYZCHF-QXAKKESOSA-N 1 2 404.507 2.413 20 0 HEADLO CCOC(=O)[C@@H]1CCCN(C(=O)[C@H](C)OC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC000745099399 1077730467 /nfs/dbraw/zinc/73/04/67/1077730467.db2.gz IPCKBJADDYZCHF-QXAKKESOSA-N 1 2 404.507 2.413 20 0 HEADLO CC[N@H+](C)[C@@H](C(=O)OCC(=O)NCC(=O)Nc1ccc(F)c(F)c1)c1ccccc1 ZINC000745100206 1077730866 /nfs/dbraw/zinc/73/08/66/1077730866.db2.gz LLJTZRMGWBWLKG-HXUWFJFHSA-N 1 2 419.428 2.256 20 0 HEADLO CC[N@@H+](C)[C@@H](C(=O)OCC(=O)NCC(=O)Nc1ccc(F)c(F)c1)c1ccccc1 ZINC000745100206 1077730875 /nfs/dbraw/zinc/73/08/75/1077730875.db2.gz LLJTZRMGWBWLKG-HXUWFJFHSA-N 1 2 419.428 2.256 20 0 HEADLO CCOC(=O)C1CCN(C(=O)[C@@H](C)OC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC000745101961 1077731240 /nfs/dbraw/zinc/73/12/40/1077731240.db2.gz YIEWLNZLNYVPFR-VQIMIIECSA-N 1 2 404.507 2.413 20 0 HEADLO CCOC(=O)C1CCN(C(=O)[C@@H](C)OC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC000745101961 1077731245 /nfs/dbraw/zinc/73/12/45/1077731245.db2.gz YIEWLNZLNYVPFR-VQIMIIECSA-N 1 2 404.507 2.413 20 0 HEADLO C[N@@H+]1CCCC[C@H]1C(=O)OCC(=O)N1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000745078204 1077734378 /nfs/dbraw/zinc/73/43/78/1077734378.db2.gz BJTGIMXQJMEYSX-SFHVURJKSA-N 1 2 411.905 2.151 20 0 HEADLO C[N@H+]1CCCC[C@H]1C(=O)OCC(=O)N1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000745078204 1077734389 /nfs/dbraw/zinc/73/43/89/1077734389.db2.gz BJTGIMXQJMEYSX-SFHVURJKSA-N 1 2 411.905 2.151 20 0 HEADLO CCCCCC[C@@H](C)C(=O)OCC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000745256383 1077783254 /nfs/dbraw/zinc/78/32/54/1077783254.db2.gz YFPHJOVKFPUNCW-MRXNPFEDSA-N 1 2 416.526 2.162 20 0 HEADLO COc1cccc([C@@H](CNC(=O)NCCS(=O)(=O)C(C)(C)C)[NH+]2CCCC2)c1 ZINC000745301285 1077802282 /nfs/dbraw/zinc/80/22/82/1077802282.db2.gz AOQBACNLWYGGRN-GOSISDBHSA-N 1 2 411.568 2.345 20 0 HEADLO O=C(COC(=O)[C@@H]1Cc2ccccc21)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000745380206 1077815313 /nfs/dbraw/zinc/81/53/13/1077815313.db2.gz UJIFDEMUJMWTDK-OAQYLSRUSA-N 1 2 406.482 2.149 20 0 HEADLO CCc1nnc(C[N@@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCCN3C(=O)OC(C)(C)C)C2)[nH]1 ZINC000771769843 1079523604 /nfs/dbraw/zinc/52/36/04/1079523604.db2.gz VFBGTZHWJXIYKQ-HOTGVXAUSA-N 1 2 420.558 2.095 20 0 HEADLO CCc1nnc(C[N@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCCN3C(=O)OC(C)(C)C)C2)[nH]1 ZINC000771769843 1079523609 /nfs/dbraw/zinc/52/36/09/1079523609.db2.gz VFBGTZHWJXIYKQ-HOTGVXAUSA-N 1 2 420.558 2.095 20 0 HEADLO C[N@H+](CC(=O)O[C@H](C(N)=O)c1ccc(Br)cc1F)[C@@H]1CCSC1 ZINC000767112753 1079666326 /nfs/dbraw/zinc/66/63/26/1079666326.db2.gz RWRSFDKFTFHOIN-YGRLFVJLSA-N 1 2 405.289 2.095 20 0 HEADLO C[N@@H+](CC(=O)O[C@H](C(N)=O)c1ccc(Br)cc1F)[C@@H]1CCSC1 ZINC000767112753 1079666328 /nfs/dbraw/zinc/66/63/28/1079666328.db2.gz RWRSFDKFTFHOIN-YGRLFVJLSA-N 1 2 405.289 2.095 20 0 HEADLO CCN(CC)C(=O)c1cccc(NC(=O)[C@@H](C)OC(=O)C[N@H+](C)[C@@H]2CCSC2)c1 ZINC000772049614 1079669775 /nfs/dbraw/zinc/66/97/75/1079669775.db2.gz RMXZXUUEVAITDL-CRAIPNDOSA-N 1 2 421.563 2.476 20 0 HEADLO CCN(CC)C(=O)c1cccc(NC(=O)[C@@H](C)OC(=O)C[N@@H+](C)[C@@H]2CCSC2)c1 ZINC000772049614 1079669778 /nfs/dbraw/zinc/66/97/78/1079669778.db2.gz RMXZXUUEVAITDL-CRAIPNDOSA-N 1 2 421.563 2.476 20 0 HEADLO Cc1cc(N2CCC(c3nnc[nH]3)CC2)nc([C@@H](C)[NH+]2CCC(c3nnc[nH]3)CC2)n1 ZINC000767116528 1079684881 /nfs/dbraw/zinc/68/48/81/1079684881.db2.gz AITAVBSDBHUQMT-OAHLLOKOSA-N 1 2 422.541 2.346 20 0 HEADLO C[C@H](OC(=O)C[N@H+](C)[C@@H]1CCSC1)C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 ZINC000767118618 1079686683 /nfs/dbraw/zinc/68/66/83/1079686683.db2.gz XEOAMXGKAIQNAC-OFQRWUPVSA-N 1 2 408.520 2.004 20 0 HEADLO C[C@H](OC(=O)C[N@@H+](C)[C@@H]1CCSC1)C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 ZINC000767118618 1079686691 /nfs/dbraw/zinc/68/66/91/1079686691.db2.gz XEOAMXGKAIQNAC-OFQRWUPVSA-N 1 2 408.520 2.004 20 0 HEADLO Cc1n[nH]c(C)c1C[C@H](C)C(=O)OCC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000772089472 1079697013 /nfs/dbraw/zinc/69/70/13/1079697013.db2.gz QAMLXCPURQUNLM-HNNXBMFYSA-N 1 2 414.506 2.219 20 0 HEADLO CCOC1CC(CNC(=O)CC(C)(C)NC(=O)OC(C)(C)C)([NH+]2CCOCC2)C1 ZINC000767165898 1079702506 /nfs/dbraw/zinc/70/25/06/1079702506.db2.gz OASBDIRBEUFIQU-UHFFFAOYSA-N 1 2 413.559 2.066 20 0 HEADLO Cc1ccc(CC(=O)OCC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)cc1O ZINC000772149648 1079732006 /nfs/dbraw/zinc/73/20/06/1079732006.db2.gz JOOZBJUEHJVVAD-UHFFFAOYSA-N 1 2 424.497 2.066 20 0 HEADLO COC(=O)/C=C\c1ccc(OCC[NH+]2CCN(C(=O)c3ccc(O)cc3)CC2)cc1 ZINC000767326962 1079820859 /nfs/dbraw/zinc/82/08/59/1079820859.db2.gz PPRFKTIIXCASNM-WCIBSUBMSA-N 1 2 410.470 2.415 20 0 HEADLO Cc1sc2nc(C[NH+]3CCC(Oc4ccnc(C(N)=O)c4)CC3)nc(N)c2c1C ZINC000772333046 1079826218 /nfs/dbraw/zinc/82/62/18/1079826218.db2.gz MWZKJVFHUDUJTR-UHFFFAOYSA-N 1 2 412.519 2.428 20 0 HEADLO CC[C@@](C)(CNC(=O)OC(C)(C)C)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000747858785 1079852791 /nfs/dbraw/zinc/85/27/91/1079852791.db2.gz ZHQXDKANGUAFAF-FQEVSTJZSA-N 1 2 409.531 2.095 20 0 HEADLO O=C(COc1ccc(I)cc1)OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000767433938 1079861645 /nfs/dbraw/zinc/86/16/45/1079861645.db2.gz NURVYUXGROSKHT-GASCZTMLSA-N 1 2 417.243 2.076 20 0 HEADLO O=C(COc1ccc(I)cc1)OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000767433938 1079861650 /nfs/dbraw/zinc/86/16/50/1079861650.db2.gz NURVYUXGROSKHT-GASCZTMLSA-N 1 2 417.243 2.076 20 0 HEADLO COc1cc(C(=O)NCC(=O)OCc2cc[nH+]c(N(C)C)c2)ccc1OC(F)F ZINC000767433955 1079861700 /nfs/dbraw/zinc/86/17/00/1079861700.db2.gz NWHLXUHXTCVXFW-UHFFFAOYSA-N 1 2 409.389 2.231 20 0 HEADLO Cc1cccn2cc(CCNC(=O)c3cc(S(=O)(=O)NC(C)C)ccc3F)[nH+]c12 ZINC000746540324 1079876003 /nfs/dbraw/zinc/87/60/03/1079876003.db2.gz RNGIMJRRGWAROR-UHFFFAOYSA-N 1 2 418.494 2.441 20 0 HEADLO Cc1ccccc1NC(=O)[C@H](C)OC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000767539335 1079940140 /nfs/dbraw/zinc/94/01/40/1079940140.db2.gz QLXGWXRZYSWZJY-SFHVURJKSA-N 1 2 424.501 2.389 20 0 HEADLO COc1ccc([C@@H]2[C@@H](C(=O)OCC[N@H+]3C[C@H]4CC[C@@H](C3)O4)CCC(=O)N2C)cc1 ZINC000767548825 1079956890 /nfs/dbraw/zinc/95/68/90/1079956890.db2.gz XVZULUJRKRVJFZ-YOUFYPILSA-N 1 2 402.491 2.011 20 0 HEADLO COc1ccc([C@@H]2[C@@H](C(=O)OCC[N@@H+]3C[C@H]4CC[C@@H](C3)O4)CCC(=O)N2C)cc1 ZINC000767548825 1079956905 /nfs/dbraw/zinc/95/69/05/1079956905.db2.gz XVZULUJRKRVJFZ-YOUFYPILSA-N 1 2 402.491 2.011 20 0 HEADLO COc1cc(SC)ccc1NC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000772655104 1080013812 /nfs/dbraw/zinc/01/38/12/1080013812.db2.gz DZGZSSMYSKDPOV-UHFFFAOYSA-N 1 2 401.554 2.048 20 0 HEADLO Cc1nn(-c2ccccc2)c(C)c1CNC(=O)C(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000785496831 1080019455 /nfs/dbraw/zinc/01/94/55/1080019455.db2.gz GRFQSDHPFQNHPN-GOSISDBHSA-N 1 2 420.517 2.245 20 0 HEADLO COc1ccc(OC)c([C@H](C)NC(=O)C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000785497681 1080020856 /nfs/dbraw/zinc/02/08/56/1080020856.db2.gz ITEZSWRGSGIFOC-HNNXBMFYSA-N 1 2 408.458 2.383 20 0 HEADLO COc1ccc(OC)c([C@@H](C)NC(=O)C(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000785500143 1080022189 /nfs/dbraw/zinc/02/21/89/1080022189.db2.gz NOQBJCUFTVZETM-HUUCEWRRSA-N 1 2 400.479 2.021 20 0 HEADLO COc1cc(CNC(=O)C(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)ccc1OC(F)F ZINC000785501800 1080023268 /nfs/dbraw/zinc/02/32/68/1080023268.db2.gz BCPFIQIOVBUNRF-AWEZNQCLSA-N 1 2 422.432 2.053 20 0 HEADLO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]CCN1CCCC(C)(C)C1 ZINC000767741203 1080060388 /nfs/dbraw/zinc/06/03/88/1080060388.db2.gz ZJEMXNOVSBCZDV-HNNXBMFYSA-N 1 2 402.992 2.416 20 0 HEADLO CC(C)(C)OC(=O)N1CCC[C@@H](OCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000767748259 1080065759 /nfs/dbraw/zinc/06/57/59/1080065759.db2.gz CEGGLPRYDHFNFA-QGZVFWFLSA-N 1 2 404.511 2.146 20 0 HEADLO O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)Oc1cccc(-n2cc[nH+]c2)c1 ZINC000767771949 1080079897 /nfs/dbraw/zinc/07/98/97/1080079897.db2.gz QFBJMEGACUJKQN-UHFFFAOYSA-N 1 2 411.439 2.267 20 0 HEADLO C[C@]1(c2ccc3c(c2)CCC3)NC(=O)N(C[N@@H+]2CCS[C@@H]3COCC[C@H]32)C1=O ZINC000767782550 1080090297 /nfs/dbraw/zinc/09/02/97/1080090297.db2.gz POVVHUJYOSZTPV-DBXWQHBBSA-N 1 2 401.532 2.106 20 0 HEADLO C[C@]1(c2ccc3c(c2)CCC3)NC(=O)N(C[N@H+]2CCS[C@@H]3COCC[C@H]32)C1=O ZINC000767782550 1080090299 /nfs/dbraw/zinc/09/02/99/1080090299.db2.gz POVVHUJYOSZTPV-DBXWQHBBSA-N 1 2 401.532 2.106 20 0 HEADLO CCOc1ccnc(N2CCC[N@H+](CN3C(=O)CC[C@H](CC(C)C)C3=O)CC2)n1 ZINC000767797105 1080100954 /nfs/dbraw/zinc/10/09/54/1080100954.db2.gz LVKZEMAAPCEFTO-QGZVFWFLSA-N 1 2 403.527 2.156 20 0 HEADLO CCOc1ccnc(N2CCC[N@@H+](CN3C(=O)CC[C@H](CC(C)C)C3=O)CC2)n1 ZINC000767797105 1080100969 /nfs/dbraw/zinc/10/09/69/1080100969.db2.gz LVKZEMAAPCEFTO-QGZVFWFLSA-N 1 2 403.527 2.156 20 0 HEADLO C[C@H](OC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc(OC(F)F)cc1 ZINC000785656556 1080177632 /nfs/dbraw/zinc/17/76/32/1080177632.db2.gz CQZAUMYEUVDUBI-GOEBONIOSA-N 1 2 412.433 2.073 20 0 HEADLO O=C(OCCCc1cccc2ccccc21)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000785658814 1080180809 /nfs/dbraw/zinc/18/08/09/1080180809.db2.gz DUALGQBNBCZQTK-NRFANRHFSA-N 1 2 410.514 2.496 20 0 HEADLO CCOC1CC(CNC(=O)NCc2ccccc2N(C)CC)([NH+]2CCOCC2)C1 ZINC000767888018 1080204421 /nfs/dbraw/zinc/20/44/21/1080204421.db2.gz OBXXWLLZLSQTFT-UHFFFAOYSA-N 1 2 404.555 2.212 20 0 HEADLO CCOC(=O)C1C(COC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)=NC(=O)N[C@H]1c1ccccc1 ZINC000785736328 1080209082 /nfs/dbraw/zinc/20/90/82/1080209082.db2.gz XYGHDNTUSMOSEF-MDOVXXIYSA-N 1 2 415.490 2.274 20 0 HEADLO CCOC(=O)C1C(COC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)=NC(=O)N[C@H]1c1ccccc1 ZINC000785736328 1080209087 /nfs/dbraw/zinc/20/90/87/1080209087.db2.gz XYGHDNTUSMOSEF-MDOVXXIYSA-N 1 2 415.490 2.274 20 0 HEADLO CCOC(=O)C1C(C[N@@H+]2CCS[C@@H]3COCC[C@H]32)=NC(=O)N[C@H]1c1ccccc1 ZINC000767911217 1080224449 /nfs/dbraw/zinc/22/44/49/1080224449.db2.gz HVZGFZMMHKXVDL-LMMKCTJWSA-N 1 2 417.531 2.064 20 0 HEADLO CCOC(=O)C1C(C[N@H+]2CCS[C@@H]3COCC[C@H]32)=NC(=O)N[C@H]1c1ccccc1 ZINC000767911217 1080224457 /nfs/dbraw/zinc/22/44/57/1080224457.db2.gz HVZGFZMMHKXVDL-LMMKCTJWSA-N 1 2 417.531 2.064 20 0 HEADLO CCOC(=O)C1=C(C[N@@H+]2CCS[C@@H]3COCC[C@H]32)NC(=O)N[C@H]1c1ccccc1 ZINC000767911217 1080224462 /nfs/dbraw/zinc/22/44/62/1080224462.db2.gz HVZGFZMMHKXVDL-LMMKCTJWSA-N 1 2 417.531 2.064 20 0 HEADLO CCOC(=O)C1=C(C[N@H+]2CCS[C@@H]3COCC[C@H]32)NC(=O)N[C@H]1c1ccccc1 ZINC000767911217 1080224467 /nfs/dbraw/zinc/22/44/67/1080224467.db2.gz HVZGFZMMHKXVDL-LMMKCTJWSA-N 1 2 417.531 2.064 20 0 HEADLO C[N@H+](CC1CCOCC1)Cn1nc(N2CCOCC2)n(CC(F)(F)F)c1=S ZINC000767976140 1080245492 /nfs/dbraw/zinc/24/54/92/1080245492.db2.gz MGTYGMZFSREQFK-UHFFFAOYSA-N 1 2 409.478 2.129 20 0 HEADLO C[N@@H+](CC1CCOCC1)Cn1nc(N2CCOCC2)n(CC(F)(F)F)c1=S ZINC000767976140 1080245507 /nfs/dbraw/zinc/24/55/07/1080245507.db2.gz MGTYGMZFSREQFK-UHFFFAOYSA-N 1 2 409.478 2.129 20 0 HEADLO Cc1cc2c[nH]nc2c(C(=O)OCC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000785816118 1080256172 /nfs/dbraw/zinc/25/61/72/1080256172.db2.gz WOVFVIWYNCMXQM-UHFFFAOYSA-N 1 2 408.458 2.499 20 0 HEADLO CN(C)c1ccc([NH+]2CCC(NC(=O)N3CCC(CCC(N)=O)CC3)CC2)cc1 ZINC000768091877 1080323267 /nfs/dbraw/zinc/32/32/67/1080323267.db2.gz YPNZVZGJXGOQST-UHFFFAOYSA-N 1 2 401.555 2.409 20 0 HEADLO COc1ccc(OCC(=O)OCC(=O)N2CC[NH+](Cc3cccs3)CC2)cc1C ZINC000768149194 1080357021 /nfs/dbraw/zinc/35/70/21/1080357021.db2.gz FLSARYVJEQCOTB-UHFFFAOYSA-N 1 2 418.515 2.332 20 0 HEADLO C[C@@H](c1nc(N)nc(N(C)C)n1)[NH+]1CCC(CNC(=O)OCc2ccccc2)CC1 ZINC000786109866 1080401669 /nfs/dbraw/zinc/40/16/69/1080401669.db2.gz MSLOMPIGAAEJLW-HNNXBMFYSA-N 1 2 413.526 2.219 20 0 HEADLO CCc1ccc([C@@]2(CC)NC(=O)N(C[NH+]3CCC(C(=O)N(C)C)CC3)C2=O)cc1 ZINC000768482638 1080576846 /nfs/dbraw/zinc/57/68/46/1080576846.db2.gz LZLSWJDBMRHJOK-JOCHJYFZSA-N 1 2 400.523 2.164 20 0 HEADLO CCOc1ccc(C2=CC[N@H+](CN3C(=O)C[C@@H](Cc4cnn(C)c4)C3=O)CC2)cc1 ZINC000768469779 1080588295 /nfs/dbraw/zinc/58/82/95/1080588295.db2.gz FSSKNFMYBOZTFA-HXUWFJFHSA-N 1 2 408.502 2.483 20 0 HEADLO CCOc1ccc(C2=CC[N@@H+](CN3C(=O)C[C@@H](Cc4cnn(C)c4)C3=O)CC2)cc1 ZINC000768469779 1080588302 /nfs/dbraw/zinc/58/83/02/1080588302.db2.gz FSSKNFMYBOZTFA-HXUWFJFHSA-N 1 2 408.502 2.483 20 0 HEADLO CCc1ccc([C@]2(CC)NC(=O)N(C[N@@H+]3CC[C@H](CN4CCOCC4)C3)C2=O)cc1 ZINC000768497341 1080593116 /nfs/dbraw/zinc/59/31/16/1080593116.db2.gz UMKGCSSSOWYCHE-XXBNENTESA-N 1 2 414.550 2.018 20 0 HEADLO CCc1ccc([C@]2(CC)NC(=O)N(C[N@H+]3CC[C@H](CN4CCOCC4)C3)C2=O)cc1 ZINC000768497341 1080593123 /nfs/dbraw/zinc/59/31/23/1080593123.db2.gz UMKGCSSSOWYCHE-XXBNENTESA-N 1 2 414.550 2.018 20 0 HEADLO CCc1ccc([C@]2(CC)NC(=O)N(CN3CCC[C@H]3C[NH+]3CCOCC3)C2=O)cc1 ZINC000768493909 1080605367 /nfs/dbraw/zinc/60/53/67/1080605367.db2.gz LKARGAPCARTOQN-REWPJTCUSA-N 1 2 414.550 2.160 20 0 HEADLO C[N@@H+]1CCN(C(=O)NC[C@]2(C)CCO[C@H]2C2CC2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000768527815 1080612749 /nfs/dbraw/zinc/61/27/49/1080612749.db2.gz GDUKNQIBKFKPIQ-FIKGOQFSSA-N 1 2 410.559 2.042 20 0 HEADLO C[N@H+]1CCN(C(=O)NC[C@]2(C)CCO[C@H]2C2CC2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000768527815 1080612756 /nfs/dbraw/zinc/61/27/56/1080612756.db2.gz GDUKNQIBKFKPIQ-FIKGOQFSSA-N 1 2 410.559 2.042 20 0 HEADLO COC(=O)c1cc(S(=O)(=O)N2C[C@@H](C)[N@H+](C)C[C@@H]2C)c(Br)cc1F ZINC000768563997 1080632758 /nfs/dbraw/zinc/63/27/58/1080632758.db2.gz VPVWRLLMUSVXLX-ZJUUUORDSA-N 1 2 423.304 2.088 20 0 HEADLO COC(=O)c1cc(S(=O)(=O)N2C[C@@H](C)[N@@H+](C)C[C@@H]2C)c(Br)cc1F ZINC000768563997 1080632765 /nfs/dbraw/zinc/63/27/65/1080632765.db2.gz VPVWRLLMUSVXLX-ZJUUUORDSA-N 1 2 423.304 2.088 20 0 HEADLO Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)NCc3cc[nH+]c(N4CCCC4)c3)C2)cc1 ZINC000786503617 1080661631 /nfs/dbraw/zinc/66/16/31/1080661631.db2.gz HBFLXAXBEXRTQS-HXUWFJFHSA-N 1 2 421.545 2.392 20 0 HEADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)C(=O)N1CCC[C@H]1C[C@@H](O)c1ccco1 ZINC000786507198 1080663050 /nfs/dbraw/zinc/66/30/50/1080663050.db2.gz UXPHEYAQPNKEAL-ZWKOTPCHSA-N 1 2 412.490 2.006 20 0 HEADLO CCCc1nc(C(=O)OCC(=O)N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)co1 ZINC000786515369 1080666384 /nfs/dbraw/zinc/66/63/84/1080666384.db2.gz YGIPITODPMQPJP-UHFFFAOYSA-N 1 2 415.494 2.355 20 0 HEADLO O=C(CCC(=O)N1CCC(O)(c2ccccc2)CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000768588055 1080668701 /nfs/dbraw/zinc/66/87/01/1080668701.db2.gz WALYKGTXIWZMOC-UHFFFAOYSA-N 1 2 422.529 2.021 20 0 HEADLO C[C@H](C[C@@H]1COCCN1C(=O)OC(C)(C)C)[NH2+]c1ccc(N2CCNC(=O)C2)cc1 ZINC000768666547 1080707626 /nfs/dbraw/zinc/70/76/26/1080707626.db2.gz ULBCNEYGRQNIBL-VQIMIIECSA-N 1 2 418.538 2.449 20 0 HEADLO COc1c(C)c[nH+]c(CNC(=O)C(=O)NCc2ccc(Br)cc2)c1C ZINC000786625321 1080717878 /nfs/dbraw/zinc/71/78/78/1080717878.db2.gz HDYOHBLFQDOERM-UHFFFAOYSA-N 1 2 406.280 2.402 20 0 HEADLO CC(C)OCC[NH+]1CCN(C(=O)C(=O)Nc2cnn(-c3ccccc3Cl)c2)CC1 ZINC000768727059 1080756270 /nfs/dbraw/zinc/75/62/70/1080756270.db2.gz JAVPUOACHIXSJD-UHFFFAOYSA-N 1 2 419.913 2.033 20 0 HEADLO CN(CC[N@H+](C)CC(=O)NCc1cnn(-c2ccccc2)c1)C(=O)OC(C)(C)C ZINC000768741191 1080764948 /nfs/dbraw/zinc/76/49/48/1080764948.db2.gz JTZZCBJIXOYJEQ-UHFFFAOYSA-N 1 2 401.511 2.287 20 0 HEADLO CN(CC[N@@H+](C)CC(=O)NCc1cnn(-c2ccccc2)c1)C(=O)OC(C)(C)C ZINC000768741191 1080764958 /nfs/dbraw/zinc/76/49/58/1080764958.db2.gz JTZZCBJIXOYJEQ-UHFFFAOYSA-N 1 2 401.511 2.287 20 0 HEADLO Cc1cccc([C@@H](O)CNC(=O)C(=O)Nc2cccc([C@@H](C)[NH+]3CCOCC3)c2)c1 ZINC000768740866 1080765392 /nfs/dbraw/zinc/76/53/92/1080765392.db2.gz ZWXNNAJIVAGPPQ-UTKZUKDTSA-N 1 2 411.502 2.177 20 0 HEADLO COc1c(C)c[nH+]c(CNC(=O)C(=O)NCc2ccccc2Br)c1C ZINC000786816989 1080841999 /nfs/dbraw/zinc/84/19/99/1080841999.db2.gz PJOWIGBNHKTBQY-UHFFFAOYSA-N 1 2 406.280 2.402 20 0 HEADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)c2ccc(OC(F)(F)Cl)cc2)CC1 ZINC000786818358 1080842554 /nfs/dbraw/zinc/84/25/54/1080842554.db2.gz TVHXOFGJHXKGCB-UHFFFAOYSA-N 1 2 422.823 2.494 20 0 HEADLO O=C(COC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)NC(=O)c1ccc(OC(F)F)cc1 ZINC000786881522 1080884874 /nfs/dbraw/zinc/88/48/74/1080884874.db2.gz GKRYTPVADHCDHZ-INIZCTEOSA-N 1 2 410.417 2.495 20 0 HEADLO O=C(COC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)NC(=O)c1ccc(OC(F)F)cc1 ZINC000786881522 1080884877 /nfs/dbraw/zinc/88/48/77/1080884877.db2.gz GKRYTPVADHCDHZ-INIZCTEOSA-N 1 2 410.417 2.495 20 0 HEADLO C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCC(CNC(=O)OCc2ccccc2)CC1 ZINC000786925374 1080896983 /nfs/dbraw/zinc/89/69/83/1080896983.db2.gz GQQVFSAAMBICLW-GOSISDBHSA-N 1 2 418.538 2.055 20 0 HEADLO O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)OCCc1c(F)cccc1Cl ZINC000786994585 1080904995 /nfs/dbraw/zinc/90/49/95/1080904995.db2.gz GTHWLASHBYIIBB-SFHVURJKSA-N 1 2 412.889 2.278 20 0 HEADLO Cc1ccc(OCCCOC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)cc1C ZINC000787000720 1080912073 /nfs/dbraw/zinc/91/20/73/1080912073.db2.gz MARSQYIUUSYAAC-OAQYLSRUSA-N 1 2 418.534 2.329 20 0 HEADLO COc1c(C)c[nH+]c(CNC(=O)C(=O)NCCc2ccccc2OC(F)F)c1C ZINC000787006380 1080921183 /nfs/dbraw/zinc/92/11/83/1080921183.db2.gz HZCBUFFTYBYUIG-UHFFFAOYSA-N 1 2 407.417 2.284 20 0 HEADLO CCOc1nccc(C)c1C(=O)OCC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000769067743 1080922075 /nfs/dbraw/zinc/92/20/75/1080922075.db2.gz IWWCGZFCDADJST-UHFFFAOYSA-N 1 2 413.474 2.416 20 0 HEADLO C[C@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1c2ccccc2CCN1C(=O)OC(C)(C)C ZINC000769178255 1080993152 /nfs/dbraw/zinc/99/31/52/1080993152.db2.gz HZIDLMSPSXIPAG-LPHOPBHVSA-N 1 2 403.523 2.358 20 0 HEADLO C[C@H]1COCC[N@H+]1CCNC(=O)[C@@H]1c2ccccc2CCN1C(=O)OC(C)(C)C ZINC000769178255 1080993156 /nfs/dbraw/zinc/99/31/56/1080993156.db2.gz HZIDLMSPSXIPAG-LPHOPBHVSA-N 1 2 403.523 2.358 20 0 HEADLO C[C@H](CNC(=O)OC(C)(C)C)NC(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000769222828 1081007601 /nfs/dbraw/zinc/00/76/01/1081007601.db2.gz OPYREQKZSVJPKT-OAHLLOKOSA-N 1 2 419.526 2.109 20 0 HEADLO COc1cc(NC(=O)N2CC[N@H+](C)C[C@H]2CNC(=O)OC(C)(C)C)cc(OC)c1 ZINC000769231554 1081010423 /nfs/dbraw/zinc/01/04/23/1081010423.db2.gz XLRIPXGMIMMRMX-OAHLLOKOSA-N 1 2 408.499 2.376 20 0 HEADLO COc1cc(NC(=O)N2CC[N@@H+](C)C[C@H]2CNC(=O)OC(C)(C)C)cc(OC)c1 ZINC000769231554 1081010437 /nfs/dbraw/zinc/01/04/37/1081010437.db2.gz XLRIPXGMIMMRMX-OAHLLOKOSA-N 1 2 408.499 2.376 20 0 HEADLO CC(=O)Nc1ccc(NC(=O)N2CC[N@@H+](C)C[C@@H]2CNC(=O)OC(C)(C)C)cc1 ZINC000769237888 1081011772 /nfs/dbraw/zinc/01/17/72/1081011772.db2.gz SFXLGNMWRYLOQL-KRWDZBQOSA-N 1 2 405.499 2.318 20 0 HEADLO CC(=O)Nc1ccc(NC(=O)N2CC[N@H+](C)C[C@@H]2CNC(=O)OC(C)(C)C)cc1 ZINC000769237888 1081011781 /nfs/dbraw/zinc/01/17/81/1081011781.db2.gz SFXLGNMWRYLOQL-KRWDZBQOSA-N 1 2 405.499 2.318 20 0 HEADLO Cc1nc2cc(C)ccn2c1C[NH+]1CCN(Cn2nc3c(cc2=O)CCCC3)CC1 ZINC000746658653 1081043758 /nfs/dbraw/zinc/04/37/58/1081043758.db2.gz UTXJSORZPQZEFW-UHFFFAOYSA-N 1 2 406.534 2.162 20 0 HEADLO CO[C@@H]1CC(=O)N(C[N@H+](C)Cc2cccc(NS(=O)(=O)c3ccccc3)c2)C1 ZINC000787219812 1081052955 /nfs/dbraw/zinc/05/29/55/1081052955.db2.gz NHWWJJOOYYHDTE-GOSISDBHSA-N 1 2 403.504 2.124 20 0 HEADLO CO[C@@H]1CC(=O)N(C[N@@H+](C)Cc2cccc(NS(=O)(=O)c3ccccc3)c2)C1 ZINC000787219812 1081052964 /nfs/dbraw/zinc/05/29/64/1081052964.db2.gz NHWWJJOOYYHDTE-GOSISDBHSA-N 1 2 403.504 2.124 20 0 HEADLO CN(C)C(=O)COc1ccc(C(F)(F)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC000769398362 1081062168 /nfs/dbraw/zinc/06/21/68/1081062168.db2.gz QMLJPYVMCTYTRN-INIZCTEOSA-N 1 2 418.444 2.036 20 0 HEADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)C(=O)NCc2ccnc(OC3CCCC3)c2)C1 ZINC000787255915 1081073014 /nfs/dbraw/zinc/07/30/14/1081073014.db2.gz BOTHIAPLMBVDTM-QGZVFWFLSA-N 1 2 411.506 2.159 20 0 HEADLO C[S@@](=O)CC[NH+]1CCN(Cc2nc(-c3cccc(Br)c3)c[nH]2)CC1 ZINC000769479963 1081077738 /nfs/dbraw/zinc/07/77/38/1081077738.db2.gz LGCPQUHRBGBCQF-XMMPIXPASA-N 1 2 411.369 2.335 20 0 HEADLO C[S@](=O)CC[NH+]1CCN(Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)CC1 ZINC000769482097 1081078492 /nfs/dbraw/zinc/07/84/92/1081078492.db2.gz YVBLMYDQTZIJBB-MHZLTWQESA-N 1 2 400.470 2.387 20 0 HEADLO C[S@@](=O)CC[NH+]1CCN(Cc2cn(-c3ccc(Cl)cc3Cl)nn2)CC1 ZINC000769478976 1081093290 /nfs/dbraw/zinc/09/32/90/1081093290.db2.gz GWWPJTGDABYZHZ-RUZDIDTESA-N 1 2 402.351 2.070 20 0 HEADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)C(=O)N[C@@H]1CC[C@H]2SCCS[C@@H]12 ZINC000787298828 1081097694 /nfs/dbraw/zinc/09/76/94/1081097694.db2.gz QCVKPXIAJWDWQA-KURKYZTESA-N 1 2 416.572 2.043 20 0 HEADLO CN(C[C@@H]1CCCN1Cc1cnc(N2CC[NH+](C)CC2)nc1)C(=O)OC(C)(C)C ZINC000769548255 1081121197 /nfs/dbraw/zinc/12/11/97/1081121197.db2.gz JCMLUKLQCSPILD-SFHVURJKSA-N 1 2 404.559 2.060 20 0 HEADLO CN(C)C(=O)COc1ccc(C(F)(F)C(=O)NCCCNc2cccc[nH+]2)cc1 ZINC000769582158 1081135395 /nfs/dbraw/zinc/13/53/95/1081135395.db2.gz DLKWDFIFOGGACU-UHFFFAOYSA-N 1 2 406.433 2.259 20 0 HEADLO Cn1cc[nH+]c1[C@@H](NC(=O)CCn1[nH]c(=O)c2ccccc2c1=O)c1cccc(F)c1 ZINC000024015220 558584695 /nfs/dbraw/zinc/58/46/95/558584695.db2.gz AEPSGDSSQFPASI-IBGZPJMESA-N 1 2 421.432 2.271 20 0 HEADLO COCCN1CC[N@H+](C)C2(CCN(c3ncc4c(Cl)cccc4n3)CC2)C1=O ZINC001164640042 719275913 /nfs/dbraw/zinc/27/59/13/719275913.db2.gz NBJPIITZKGRVID-UHFFFAOYSA-N 1 2 403.914 2.043 20 0 HEADLO COCCN1CC[N@@H+](C)C2(CCN(c3ncc4c(Cl)cccc4n3)CC2)C1=O ZINC001164640042 719275918 /nfs/dbraw/zinc/27/59/18/719275918.db2.gz NBJPIITZKGRVID-UHFFFAOYSA-N 1 2 403.914 2.043 20 0 HEADLO COCCN1CC[N@H+](C)C2(CCN(c3ccc(-c4ccc(C)cc4)nn3)CC2)C1=O ZINC001164638145 719279675 /nfs/dbraw/zinc/27/96/75/719279675.db2.gz DGOMRBGXPDYFPB-UHFFFAOYSA-N 1 2 409.534 2.211 20 0 HEADLO COCCN1CC[N@@H+](C)C2(CCN(c3ccc(-c4ccc(C)cc4)nn3)CC2)C1=O ZINC001164638145 719279680 /nfs/dbraw/zinc/27/96/80/719279680.db2.gz DGOMRBGXPDYFPB-UHFFFAOYSA-N 1 2 409.534 2.211 20 0 HEADLO COC(=O)c1cnc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)nc1 ZINC001164674428 719497551 /nfs/dbraw/zinc/49/75/51/719497551.db2.gz XDPSPNZAGCUHNJ-UHFFFAOYSA-N 1 2 400.454 2.274 20 0 HEADLO COC(=O)c1cnc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)nc1 ZINC001164674428 719497558 /nfs/dbraw/zinc/49/75/58/719497558.db2.gz XDPSPNZAGCUHNJ-UHFFFAOYSA-N 1 2 400.454 2.274 20 0 HEADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc(C(=O)OC(C)(C)C)ccn1 ZINC001164699891 719843846 /nfs/dbraw/zinc/84/38/46/719843846.db2.gz ISMFZBGUQJSESS-VGOFRKELSA-N 1 2 419.522 2.270 20 0 HEADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nnc(Cl)c2c1CCCC2 ZINC001164701510 719851782 /nfs/dbraw/zinc/85/17/82/719851782.db2.gz KSDKIFJCHKMADH-XOBRGWDASA-N 1 2 408.930 2.242 20 0 HEADLO CCOC(=O)c1c(C)cc(N2CC[C@H]([NH+]3CCOCC3)C[C@]2(C)C(=O)OC)nc1C ZINC001164704672 719858562 /nfs/dbraw/zinc/85/85/62/719858562.db2.gz SHNDOLJVUJIVBI-HTAPYJJXSA-N 1 2 419.522 2.108 20 0 HEADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc(C)nc(-c2ccncc2)n1 ZINC001164703189 719866937 /nfs/dbraw/zinc/86/69/37/719866937.db2.gz JYSSEXDOSJWYCZ-AVRDEDQJSA-N 1 2 411.506 2.080 20 0 HEADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cncc(OCC2CCCC2)n1 ZINC001164707994 719877651 /nfs/dbraw/zinc/87/76/51/719877651.db2.gz XDCALPBOLXKHIM-AVRDEDQJSA-N 1 2 418.538 2.278 20 0 HEADLO Cc1ccc2nc(N3CCc4c(C(=O)N5CC[NH+](C)CC5)nn(C)c4C3)ccc2c1 ZINC001164704801 719931017 /nfs/dbraw/zinc/93/10/17/719931017.db2.gz SAXIJGXFZFLFLT-UHFFFAOYSA-N 1 2 404.518 2.227 20 0 HEADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ncc(C)nc4C)CC3)C2=O)cs1 ZINC001164823264 720360110 /nfs/dbraw/zinc/36/01/10/720360110.db2.gz DBYSIPJUMSLYBV-UHFFFAOYSA-N 1 2 400.552 2.172 20 0 HEADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ncc(C)nc4C)CC3)C2=O)cs1 ZINC001164823264 720360114 /nfs/dbraw/zinc/36/01/14/720360114.db2.gz DBYSIPJUMSLYBV-UHFFFAOYSA-N 1 2 400.552 2.172 20 0 HEADLO COc1cnc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)c(C)c1 ZINC001164825554 720368285 /nfs/dbraw/zinc/36/82/85/720368285.db2.gz QSBORCNKNBGEMP-UHFFFAOYSA-N 1 2 415.563 2.477 20 0 HEADLO COc1cnc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)c(C)c1 ZINC001164825554 720368292 /nfs/dbraw/zinc/36/82/92/720368292.db2.gz QSBORCNKNBGEMP-UHFFFAOYSA-N 1 2 415.563 2.477 20 0 HEADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4cnc(Cl)cc4N)CC3)C2=O)cs1 ZINC001164821137 720377284 /nfs/dbraw/zinc/37/72/84/720377284.db2.gz XBBUWJYORVVTMW-UHFFFAOYSA-N 1 2 420.970 2.395 20 0 HEADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4cnc(Cl)cc4N)CC3)C2=O)cs1 ZINC001164821137 720377289 /nfs/dbraw/zinc/37/72/89/720377289.db2.gz XBBUWJYORVVTMW-UHFFFAOYSA-N 1 2 420.970 2.395 20 0 HEADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1ccc3ccccc3n1)C2 ZINC001164827077 720430891 /nfs/dbraw/zinc/43/08/91/720430891.db2.gz QVZVNDKRQIGNMX-IBGZPJMESA-N 1 2 407.518 2.421 20 0 HEADLO Cc1ccc(Cl)c(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164821897 720439422 /nfs/dbraw/zinc/43/94/22/720439422.db2.gz AKQVPOMSFQBJKI-INIZCTEOSA-N 1 2 405.930 2.230 20 0 HEADLO Cc1nc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)nc2ccccc12 ZINC001164822779 720446862 /nfs/dbraw/zinc/44/68/62/720446862.db2.gz HSRQHYZWEIOLCW-SFHVURJKSA-N 1 2 422.533 2.124 20 0 HEADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN([C@H](F)c1ccnc(Cl)c1)C2 ZINC001164824695 720451597 /nfs/dbraw/zinc/45/15/97/720451597.db2.gz POJFIYWRWARJMC-UZLBHIALSA-N 1 2 423.920 2.385 20 0 HEADLO Cc1cc2c(ccnc2N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)o1 ZINC001164830846 720473552 /nfs/dbraw/zinc/47/35/52/720473552.db2.gz MSBNHSAHMKJCMC-KRWDZBQOSA-N 1 2 411.506 2.322 20 0 HEADLO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4nc5nc[nH]c5cc4Cl)C3)O2)CC1 ZINC001164890364 721420509 /nfs/dbraw/zinc/42/05/09/721420509.db2.gz SFJKTDVITCOQLZ-YWZLYKJASA-N 1 2 404.946 2.377 20 0 HEADLO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4nc5[nH]cnc5cc4Cl)C3)O2)CC1 ZINC001164890364 721420511 /nfs/dbraw/zinc/42/05/11/721420511.db2.gz SFJKTDVITCOQLZ-YWZLYKJASA-N 1 2 404.946 2.377 20 0 HEADLO CCOC(=O)c1cnc(CC)nc1N1CCCn2c(C[N@H+](C)C(C)C)nnc2C1 ZINC001165010439 721718520 /nfs/dbraw/zinc/71/85/20/721718520.db2.gz HFDSWXXMFMZDAN-UHFFFAOYSA-N 1 2 401.515 2.058 20 0 HEADLO CCOC(=O)c1cnc(CC)nc1N1CCCn2c(C[N@@H+](C)C(C)C)nnc2C1 ZINC001165010439 721718525 /nfs/dbraw/zinc/71/85/25/721718525.db2.gz HFDSWXXMFMZDAN-UHFFFAOYSA-N 1 2 401.515 2.058 20 0 HEADLO COc1cc(OC)c2ncnc(N3CCCn4c(C[N@H+](C)C(C)C)nnc4C3)c2c1 ZINC001165011453 721721003 /nfs/dbraw/zinc/72/10/03/721721003.db2.gz QIPMGQAUTFDTEB-UHFFFAOYSA-N 1 2 411.510 2.489 20 0 HEADLO COc1cc(OC)c2ncnc(N3CCCn4c(C[N@@H+](C)C(C)C)nnc4C3)c2c1 ZINC001165011453 721721012 /nfs/dbraw/zinc/72/10/12/721721012.db2.gz QIPMGQAUTFDTEB-UHFFFAOYSA-N 1 2 411.510 2.489 20 0 HEADLO Fc1ccc2ncc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)nc2c1 ZINC001164912340 721780343 /nfs/dbraw/zinc/78/03/43/721780343.db2.gz KMMOKILQQRPJFG-QFIPXVFZSA-N 1 2 409.465 2.272 20 0 HEADLO Fc1ccc2ncc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)nc2c1 ZINC001164912340 721780346 /nfs/dbraw/zinc/78/03/46/721780346.db2.gz KMMOKILQQRPJFG-QFIPXVFZSA-N 1 2 409.465 2.272 20 0 HEADLO F[C@@H](Oc1cccc(Cl)n1)N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164915657 721782450 /nfs/dbraw/zinc/78/24/50/721782450.db2.gz MOBLGUNFCCZGRM-UXHICEINSA-N 1 2 422.888 2.365 20 0 HEADLO F[C@@H](Oc1cccc(Cl)n1)N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164915657 721782451 /nfs/dbraw/zinc/78/24/51/721782451.db2.gz MOBLGUNFCCZGRM-UXHICEINSA-N 1 2 422.888 2.365 20 0 HEADLO CCOc1c(Cl)ncnc1N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164917477 721785011 /nfs/dbraw/zinc/78/50/11/721785011.db2.gz XITFFPDLLSCODW-HXUWFJFHSA-N 1 2 419.913 2.032 20 0 HEADLO CCOc1c(Cl)ncnc1N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164917477 721785013 /nfs/dbraw/zinc/78/50/13/721785013.db2.gz XITFFPDLLSCODW-HXUWFJFHSA-N 1 2 419.913 2.032 20 0 HEADLO CCOc1c(Cl)ncnc1N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164917476 721785236 /nfs/dbraw/zinc/78/52/36/721785236.db2.gz XITFFPDLLSCODW-FQEVSTJZSA-N 1 2 419.913 2.032 20 0 HEADLO CCOc1c(Cl)ncnc1N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164917476 721785238 /nfs/dbraw/zinc/78/52/38/721785238.db2.gz XITFFPDLLSCODW-FQEVSTJZSA-N 1 2 419.913 2.032 20 0 HEADLO c1coc(-c2ccc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)nn2)c1 ZINC001164913902 721796943 /nfs/dbraw/zinc/79/69/43/721796943.db2.gz ISMBKDKUULVJCP-JOCHJYFZSA-N 1 2 407.474 2.239 20 0 HEADLO c1coc(-c2ccc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)nn2)c1 ZINC001164913902 721796947 /nfs/dbraw/zinc/79/69/47/721796947.db2.gz ISMBKDKUULVJCP-JOCHJYFZSA-N 1 2 407.474 2.239 20 0 HEADLO CC(C)Sc1ccc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nn1 ZINC001164915298 721797861 /nfs/dbraw/zinc/79/78/61/721797861.db2.gz VVSXRXPVAZYBCQ-NRFANRHFSA-N 1 2 415.563 2.480 20 0 HEADLO CC(C)Sc1ccc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nn1 ZINC001164915298 721797863 /nfs/dbraw/zinc/79/78/63/721797863.db2.gz VVSXRXPVAZYBCQ-NRFANRHFSA-N 1 2 415.563 2.480 20 0 HEADLO Cc1cc2ccncc2nc1N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164915678 721798387 /nfs/dbraw/zinc/79/83/87/721798387.db2.gz XMKSWGWCMWQMMU-HSZRJFAPSA-N 1 2 405.502 2.441 20 0 HEADLO Cc1cc2ccncc2nc1N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164915678 721798389 /nfs/dbraw/zinc/79/83/89/721798389.db2.gz XMKSWGWCMWQMMU-HSZRJFAPSA-N 1 2 405.502 2.441 20 0 HEADLO CCOC(=O)c1cnc(C2CC2)nc1N1CCC2(CC1)c1[nH+]cc(C)n1CCN2C ZINC001164917443 721815750 /nfs/dbraw/zinc/81/57/50/721815750.db2.gz NGJVFWOIUIHMFV-UHFFFAOYSA-N 1 2 410.522 2.477 20 0 HEADLO CCOC(=O)[C@H]1CCc2nnc(N3CCC4(CC3)c3[nH+]cc(C)n3CCN4C)cc2C1 ZINC001164919078 721821501 /nfs/dbraw/zinc/82/15/01/721821501.db2.gz LSESPARPGVJNCQ-KRWDZBQOSA-N 1 2 424.549 2.091 20 0 HEADLO CCCNC(=O)c1cc(Cl)nc(N2CCC3(CC2)c2[nH+]cc(C)n2CCN3C)n1 ZINC001164919787 721822059 /nfs/dbraw/zinc/82/20/59/721822059.db2.gz WETISBVJTBHLFX-UHFFFAOYSA-N 1 2 417.945 2.216 20 0 HEADLO Cn1ccnc1C(=O)N[C@@H]1C[N@@H+](C(C)(C)c2ccnc(Cl)c2)[C@H]2CCCO[C@H]12 ZINC001164984969 722093963 /nfs/dbraw/zinc/09/39/63/722093963.db2.gz YHMNDQZNAINLKJ-HLLBOEOZSA-N 1 2 403.914 2.365 20 0 HEADLO Cn1ccnc1C(=O)N[C@@H]1C[N@H+](C(C)(C)c2ccnc(Cl)c2)[C@H]2CCCO[C@H]12 ZINC001164984969 722093965 /nfs/dbraw/zinc/09/39/65/722093965.db2.gz YHMNDQZNAINLKJ-HLLBOEOZSA-N 1 2 403.914 2.365 20 0 HEADLO COc1ccccc1COC1CC[NH+](CN2C(=O)C(=O)N(C3CCCC3)C2=O)CC1 ZINC000769650271 1078485108 /nfs/dbraw/zinc/48/51/08/1078485108.db2.gz CWRWWUCGDWRWAZ-UHFFFAOYSA-N 1 2 415.490 2.367 20 0 HEADLO CCCn1c(CO)nn(CN2CC[NH+](Cc3ccc(OC)c(F)c3)CC2)c1=S ZINC000769836134 1078598260 /nfs/dbraw/zinc/59/82/60/1078598260.db2.gz HJKKMKNEFBWOST-UHFFFAOYSA-N 1 2 409.531 2.239 20 0 HEADLO COCCS(=O)(=O)CCC[NH+]1CCC(O)(c2ccccc2C(F)(F)F)CC1 ZINC000769837208 1078598734 /nfs/dbraw/zinc/59/87/34/1078598734.db2.gz XJJLSYFMFMWIKZ-UHFFFAOYSA-N 1 2 409.470 2.440 20 0 HEADLO CC[C@@H](c1ccc(F)cc1F)N1CCN(C(=O)NCC[N@@H+]2CCO[C@H](C)C2)CC1 ZINC000745791852 1078649445 /nfs/dbraw/zinc/64/94/45/1078649445.db2.gz NAWUFJPSMHYDQF-UZLBHIALSA-N 1 2 410.509 2.464 20 0 HEADLO CC[C@@H](c1ccc(F)cc1F)N1CCN(C(=O)NCC[N@H+]2CCO[C@H](C)C2)CC1 ZINC000745791852 1078649450 /nfs/dbraw/zinc/64/94/50/1078649450.db2.gz NAWUFJPSMHYDQF-UZLBHIALSA-N 1 2 410.509 2.464 20 0 HEADLO C[C@H](CNC(=O)NCC[N@@H+]1CCO[C@@H](C)C1)Oc1ccc(Br)cc1 ZINC000745791834 1078649600 /nfs/dbraw/zinc/64/96/00/1078649600.db2.gz MXXMGQZTBQPHHY-KGLIPLIRSA-N 1 2 400.317 2.236 20 0 HEADLO C[C@H](CNC(=O)NCC[N@H+]1CCO[C@@H](C)C1)Oc1ccc(Br)cc1 ZINC000745791834 1078649602 /nfs/dbraw/zinc/64/96/02/1078649602.db2.gz MXXMGQZTBQPHHY-KGLIPLIRSA-N 1 2 400.317 2.236 20 0 HEADLO COc1ccc(C[C@@H](CO)CNC(=O)NCc2[nH+]cc(C)c(OC)c2C)cc1O ZINC000745785927 1078643502 /nfs/dbraw/zinc/64/35/02/1078643502.db2.gz CYJKKYYJXCYREY-MRXNPFEDSA-N 1 2 403.479 2.072 20 0 HEADLO CC(=O)N(C)C1CCN(C(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)CC1 ZINC000745868235 1078668084 /nfs/dbraw/zinc/66/80/84/1078668084.db2.gz NYRJMXRGLIBYDP-UHFFFAOYSA-N 1 2 401.555 2.374 20 0 HEADLO CC(=O)NC[C@H]1CCCN(C(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)C1 ZINC000745868530 1078668099 /nfs/dbraw/zinc/66/80/99/1078668099.db2.gz XECFMOOJSNGWKD-GOSISDBHSA-N 1 2 401.555 2.279 20 0 HEADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)CC2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000746121269 1078796853 /nfs/dbraw/zinc/79/68/53/1078796853.db2.gz RXKIJNZOTNJXBO-UHFFFAOYSA-N 1 2 416.522 2.270 20 0 HEADLO COC(=O)c1cc(F)c(Br)c(S(=O)(=O)N2CC[N@H+](C)[C@@H](C)[C@H]2C)c1 ZINC000770270280 1078801274 /nfs/dbraw/zinc/80/12/74/1078801274.db2.gz SQLPGFQJQNSVDK-VHSXEESVSA-N 1 2 423.304 2.088 20 0 HEADLO COC(=O)c1cc(F)c(Br)c(S(=O)(=O)N2CC[N@@H+](C)[C@@H](C)[C@H]2C)c1 ZINC000770270280 1078801276 /nfs/dbraw/zinc/80/12/76/1078801276.db2.gz SQLPGFQJQNSVDK-VHSXEESVSA-N 1 2 423.304 2.088 20 0 HEADLO CCOCC[NH+]1CCN(C(=O)C2(NC(=O)OC(C)(C)C)Cc3ccccc3C2)CC1 ZINC000746245215 1078830671 /nfs/dbraw/zinc/83/06/71/1078830671.db2.gz MILVVGCICYHQHR-UHFFFAOYSA-N 1 2 417.550 2.229 20 0 HEADLO C[C@H](c1cccc(S(N)(=O)=O)c1)N(C)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000770365106 1078831211 /nfs/dbraw/zinc/83/12/11/1078831211.db2.gz WRDOJDXNTVDQRU-OAHLLOKOSA-N 1 2 413.503 2.422 20 0 HEADLO CCOC(=O)C1=NN(c2ccccc2)[C@H](C(=O)N2CCC([N@H+](C)CC(F)F)CC2)C1 ZINC000746322419 1078858449 /nfs/dbraw/zinc/85/84/49/1078858449.db2.gz KJWXWVNNCYQBFS-SFHVURJKSA-N 1 2 422.476 2.372 20 0 HEADLO CCOC(=O)C1=NN(c2ccccc2)[C@H](C(=O)N2CCC([N@@H+](C)CC(F)F)CC2)C1 ZINC000746322419 1078858453 /nfs/dbraw/zinc/85/84/53/1078858453.db2.gz KJWXWVNNCYQBFS-SFHVURJKSA-N 1 2 422.476 2.372 20 0 HEADLO Cc1nc(CNC(=O)[C@H](C)[NH+]2CCN(c3ccc(F)cc3)CC2)ccc1[C@H](C)O ZINC000770453572 1078860610 /nfs/dbraw/zinc/86/06/10/1078860610.db2.gz YLHUIARSBFAXOI-IRXDYDNUSA-N 1 2 400.498 2.409 20 0 HEADLO CC(C)(C)OC(=O)NC[C@H](NC(=O)NCC[N@@H+]1CCOC(C)(C)C1)C1CCCC1 ZINC000770468966 1078867034 /nfs/dbraw/zinc/86/70/34/1078867034.db2.gz AAKPZGFYKOLIGW-KRWDZBQOSA-N 1 2 412.575 2.480 20 0 HEADLO CC(C)(C)OC(=O)NC[C@H](NC(=O)NCC[N@H+]1CCOC(C)(C)C1)C1CCCC1 ZINC000770468966 1078867036 /nfs/dbraw/zinc/86/70/36/1078867036.db2.gz AAKPZGFYKOLIGW-KRWDZBQOSA-N 1 2 412.575 2.480 20 0 HEADLO O=S1(=O)CCC[C@@H](Nc2ccccc2N2CC[NH+](CCc3ccncc3)CC2)C1 ZINC000770518657 1078881869 /nfs/dbraw/zinc/88/18/69/1078881869.db2.gz YVCFVNHXNVEXNM-HXUWFJFHSA-N 1 2 414.575 2.435 20 0 HEADLO O=C(Nc1ccc(N2CCCCCC2)cc1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000746385747 1078889647 /nfs/dbraw/zinc/88/96/47/1078889647.db2.gz IKQFRWPZTGGXRB-IBGZPJMESA-N 1 2 414.550 2.186 20 0 HEADLO CCOC(=O)N1CC[C@H](NC(=O)N2CC[NH+](Cc3cc(C)ccc3OC)CC2)C1 ZINC000770537425 1078889815 /nfs/dbraw/zinc/88/98/15/1078889815.db2.gz KGAYPBBXARTBQB-SFHVURJKSA-N 1 2 404.511 2.062 20 0 HEADLO CCOC(=O)c1n[nH]c(C2CCN(C(=O)Nc3ccc(C)[nH+]c3N(C)C)CC2)n1 ZINC000770613118 1078916398 /nfs/dbraw/zinc/91/63/98/1078916398.db2.gz UTVQDINPRFZFGG-UHFFFAOYSA-N 1 2 401.471 2.162 20 0 HEADLO CCOC(=O)C1=C(C[NH2+][C@H](CO)c2ccsc2)NC(=O)N[C@H]1c1ccccc1 ZINC000770686453 1078934732 /nfs/dbraw/zinc/93/47/32/1078934732.db2.gz FYYUTDBMXYLAOF-AEFFLSMTSA-N 1 2 401.488 2.242 20 0 HEADLO CCOC(=O)c1ccc(Br)c(S(=O)(=O)N2CC[N@H+](C)[C@@H](C)[C@H]2C)c1 ZINC000770717811 1078946140 /nfs/dbraw/zinc/94/61/40/1078946140.db2.gz ZHJSASJHEJEZCZ-NWDGAFQWSA-N 1 2 419.341 2.339 20 0 HEADLO CCOC(=O)c1ccc(Br)c(S(=O)(=O)N2CC[N@@H+](C)[C@@H](C)[C@H]2C)c1 ZINC000770717811 1078946146 /nfs/dbraw/zinc/94/61/46/1078946146.db2.gz ZHJSASJHEJEZCZ-NWDGAFQWSA-N 1 2 419.341 2.339 20 0 HEADLO CC(C)(C)n1ncc2c1nc[nH+]c2NCC1CCN(S(=O)(=O)C(F)F)CC1 ZINC000766407188 1078955636 /nfs/dbraw/zinc/95/56/36/1078955636.db2.gz JURZEHVEBQNMMD-UHFFFAOYSA-N 1 2 402.471 2.258 20 0 HEADLO COc1cccc(OCC[NH+]2CCN(C(=O)[C@]3(C)Cc4ccccc4C(=O)O3)CC2)c1 ZINC000766408808 1078957846 /nfs/dbraw/zinc/95/78/46/1078957846.db2.gz OOBJPRDBZUSWHB-DEOSSOPVSA-N 1 2 424.497 2.390 20 0 HEADLO O=c1c(Br)c(Br)cnn1CN1CCC(n2cc[nH+]c2)CC1 ZINC000738110577 1078997731 /nfs/dbraw/zinc/99/77/31/1078997731.db2.gz PWUYBDLGYZTKBL-UHFFFAOYSA-N 1 2 417.105 2.259 20 0 HEADLO Cc1ccc(NC(=O)[C@@H](C)N2CC[NH+](CC[S@](C)=O)CC2)c(Br)c1 ZINC000746471041 1079020374 /nfs/dbraw/zinc/02/03/74/1079020374.db2.gz UORUHBKYZUSJBC-SHACYNPGSA-N 1 2 416.385 2.081 20 0 HEADLO C[S@@](=O)CC[NH+]1CCN(CCC(=O)N[C@H](c2cccs2)c2ccccc2)CC1 ZINC000746470347 1079019735 /nfs/dbraw/zinc/01/97/35/1079019735.db2.gz WBKHWUWOAFENPA-RBTNQOKQSA-N 1 2 419.616 2.340 20 0 HEADLO C[S@](=O)CC[NH+]1CCN(CCC(=O)NC(c2ccccc2)c2ccccc2)CC1 ZINC000746476328 1079030330 /nfs/dbraw/zinc/03/03/30/1079030330.db2.gz UHLYILBQNBNHEP-LJAQVGFWSA-N 1 2 413.587 2.278 20 0 HEADLO CCOC1CC(CNC(=S)Nc2cc(OC)ccc2OC)([NH+]2CCOCC2)C1 ZINC000766523274 1079067912 /nfs/dbraw/zinc/06/79/12/1079067912.db2.gz VOZNQSYAFMXLBC-UHFFFAOYSA-N 1 2 409.552 2.260 20 0 HEADLO O=C(OCc1cccc2[nH+]ccn21)c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1 ZINC000770921225 1079081209 /nfs/dbraw/zinc/08/12/09/1079081209.db2.gz NOFKFVHMNSXXON-KRWDZBQOSA-N 1 2 415.471 2.149 20 0 HEADLO COc1ccc(C(=O)OCc2cccc3[nH+]ccn32)cc1S(=O)(=O)NC(C)C ZINC000770922175 1079081844 /nfs/dbraw/zinc/08/18/44/1079081844.db2.gz LDNOECYOLBJJEC-UHFFFAOYSA-N 1 2 403.460 2.387 20 0 HEADLO COc1ccc(CCN2C[C@@H](C(=O)OCc3cccc4[nH+]ccn43)CC2=O)cc1OC ZINC000770927020 1079083587 /nfs/dbraw/zinc/08/35/87/1079083587.db2.gz VQQZYWKTSDFSKG-KRWDZBQOSA-N 1 2 423.469 2.486 20 0 HEADLO CC(C)(C)OC(=O)Nc1ccc(CC(=O)N2CCO[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC001168990891 1079101817 /nfs/dbraw/zinc/10/18/17/1079101817.db2.gz IVBHHOXWLZRQQB-LJQANCHMSA-N 1 2 419.522 2.136 20 0 HEADLO CC(C)(C)OC(=O)NC[C@@H](C(=O)N1CC[NH+]([C@H]2CCOC2)CC1)c1ccccc1 ZINC000771033254 1079110248 /nfs/dbraw/zinc/11/02/48/1079110248.db2.gz OJDFRWCDQMSASW-RBUKOAKNSA-N 1 2 403.523 2.228 20 0 HEADLO O=C(Nc1ccc(C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)cc1)OCC(F)(F)F ZINC000771032159 1079110362 /nfs/dbraw/zinc/11/03/62/1079110362.db2.gz JCBHDHRHBXEJCY-HNNXBMFYSA-N 1 2 401.385 2.344 20 0 HEADLO COC(=O)[C@@H]1C[C@@H](Nc2nc(Cl)nc3c(OC)cc(Br)cc23)C[NH2+]1 ZINC001169137520 1079155258 /nfs/dbraw/zinc/15/52/58/1079155258.db2.gz ZRCGXHXJOOMDIP-SCZZXKLOSA-N 1 2 415.675 2.370 20 0 HEADLO CCCN(CCNC(=O)C(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1)C(=O)OC(C)(C)C ZINC000804309887 1079165190 /nfs/dbraw/zinc/16/51/90/1079165190.db2.gz PDXKGJJHWUBPJP-IAGOWNOFSA-N 1 2 421.542 2.056 20 0 HEADLO O=C(NCCn1c[nH+]cc1-c1ccccc1)c1ccc(C[C@@H]2CC(=O)NC2=O)cc1 ZINC001169158262 1079168536 /nfs/dbraw/zinc/16/85/36/1079168536.db2.gz FLUSPTSLRFTOQI-LJQANCHMSA-N 1 2 402.454 2.185 20 0 HEADLO COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)Nc2ccc(-n3cc[nH+]c3)cc2)C1=O ZINC000771244994 1079225536 /nfs/dbraw/zinc/22/55/36/1079225536.db2.gz LGFFDNFMORJHJI-JOCHJYFZSA-N 1 2 419.441 2.287 20 0 HEADLO C[NH+](C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1nccc(Br)c1O ZINC001169383689 1079253967 /nfs/dbraw/zinc/25/39/67/1079253967.db2.gz ZYGUNNVWOFPZJW-NSHDSACASA-N 1 2 417.304 2.333 20 0 HEADLO CCOC(=O)[C@@H]1CC[C@@H]([N@H+]2Cc3nccn3C[C@H](COCc3ccccn3)C2)CO1 ZINC001169398975 1079272387 /nfs/dbraw/zinc/27/23/87/1079272387.db2.gz UIOPFHJATCEBPS-SXLOBPIMSA-N 1 2 414.506 2.037 20 0 HEADLO CCOC(=O)[C@@H]1CC[C@@H]([N@@H+]2Cc3nccn3C[C@H](COCc3ccccn3)C2)CO1 ZINC001169398975 1079272398 /nfs/dbraw/zinc/27/23/98/1079272398.db2.gz UIOPFHJATCEBPS-SXLOBPIMSA-N 1 2 414.506 2.037 20 0 HEADLO O=C(NCCN(Cc1ccccc1)c1cccc[nH+]1)N1CCC(N2CCNC2=O)CC1 ZINC001687511062 1079268105 /nfs/dbraw/zinc/26/81/05/1079268105.db2.gz LYCLRYKGTOSWGU-UHFFFAOYSA-N 1 2 422.533 2.287 20 0 HEADLO O=C(OCc1ccccc1)[C@@H]1CCC[NH2+][C@H](Nc2ncccc2N2C(=O)C=CC2=O)C1 ZINC001169514859 1079319256 /nfs/dbraw/zinc/31/92/56/1079319256.db2.gz SARYIEOTWUUEKP-IEBWSBKVSA-N 1 2 420.469 2.382 20 0 HEADLO NC(=O)c1cc(Cl)nnc1N[C@@H]1C[C@@H](C(=O)OCc2ccccc2)CCC[NH2+]1 ZINC001169524212 1079322871 /nfs/dbraw/zinc/32/28/71/1079322871.db2.gz WECPNYGNHQYDJV-XJKSGUPXSA-N 1 2 403.870 2.100 20 0 HEADLO C[C@@H](O)CN1CC[N@H+](CCC(=O)Nc2ccc(Br)cc2F)[C@H](C)C1 ZINC001169540904 1079326113 /nfs/dbraw/zinc/32/61/13/1079326113.db2.gz SCSRSUYSCMDXIK-CHWSQXEVSA-N 1 2 402.308 2.304 20 0 HEADLO C[C@@H](O)CN1CC[N@@H+](CCC(=O)Nc2ccc(Br)cc2F)[C@H](C)C1 ZINC001169540904 1079326118 /nfs/dbraw/zinc/32/61/18/1079326118.db2.gz SCSRSUYSCMDXIK-CHWSQXEVSA-N 1 2 402.308 2.304 20 0 HEADLO COC(=O)c1coc(=O)c(N[C@H]2C[C@@H](C(=O)OCc3ccccc3)CCC[NH2+]2)c1 ZINC001169516756 1079328410 /nfs/dbraw/zinc/32/84/10/1079328410.db2.gz DYMYSEUBHRXRCC-YJBOKZPZSA-N 1 2 400.431 2.298 20 0 HEADLO CC(C)(C)NS(=O)(=O)c1cc(C(=O)N[C@@H]2CCc3c[nH+]cn3C2)ccc1Cl ZINC000804333151 1079345551 /nfs/dbraw/zinc/34/55/51/1079345551.db2.gz GOGZCCVORSELEZ-CYBMUJFWSA-N 1 2 410.927 2.358 20 0 HEADLO COc1ccc(C(=O)NC(=O)C[NH+]2CCC3(C[C@H]3C(=O)N3CCCCC3)CC2)cc1 ZINC000771468548 1079348781 /nfs/dbraw/zinc/34/87/81/1079348781.db2.gz WUGZFHBGFRNRCI-IBGZPJMESA-N 1 2 413.518 2.066 20 0 HEADLO C[C@H](C(=O)Nc1sccc1C(N)=O)[NH+]1CCC2(C[C@H]2C(=O)N2CCCCC2)CC1 ZINC000771466709 1079362718 /nfs/dbraw/zinc/36/27/18/1079362718.db2.gz HHAUYKTUEWCRDO-ZBFHGGJFSA-N 1 2 418.563 2.289 20 0 HEADLO CC(C)(C)OC(=O)N1CC[C@@H]([C@@H](F)C(=O)N2CC[NH+](CCc3ccncc3)CC2)C1 ZINC001169679238 1079365418 /nfs/dbraw/zinc/36/54/18/1079365418.db2.gz PSFWQGJPUMKTRA-RTBURBONSA-N 1 2 420.529 2.363 20 0 HEADLO O=C(N[C@@H]1CCc2c[nH+]cn2C1)c1ccc(NC2=NS(=O)(=O)c3ccccc32)cc1 ZINC000804334665 1079371587 /nfs/dbraw/zinc/37/15/87/1079371587.db2.gz ITDFKTIGFYGRQU-MRXNPFEDSA-N 1 2 421.482 2.189 20 0 HEADLO CC(C)(C)OC(=O)N1CC[C@@H](c2cc(C(=O)N[C@H]3CCc4c[nH+]cn4C3)[nH]n2)C1 ZINC000804334403 1079376796 /nfs/dbraw/zinc/37/67/96/1079376796.db2.gz FZBSLJXWRJVGCG-KGLIPLIRSA-N 1 2 400.483 2.075 20 0 HEADLO CCOC(=O)N1CCC[N@H+](Cc2cc(OCC)n3nc(C(F)(F)F)nc3n2)CC1 ZINC000766863359 1079451729 /nfs/dbraw/zinc/45/17/29/1079451729.db2.gz SRKCZZIWEVHLKW-UHFFFAOYSA-N 1 2 416.404 2.206 20 0 HEADLO CCOC(=O)N1CCC[N@@H+](Cc2cc(OCC)n3nc(C(F)(F)F)nc3n2)CC1 ZINC000766863359 1079451743 /nfs/dbraw/zinc/45/17/43/1079451743.db2.gz SRKCZZIWEVHLKW-UHFFFAOYSA-N 1 2 416.404 2.206 20 0 HEADLO CS(=O)(=O)C1CCC([N@@H+]2CCO[C@@H]3[C@H](COCc4cccnc4)CC[C@@H]32)CC1 ZINC001169885690 1079458963 /nfs/dbraw/zinc/45/89/63/1079458963.db2.gz SYVYNNQJAGRCLQ-LHBDJYESSA-N 1 2 408.564 2.433 20 0 HEADLO CS(=O)(=O)C1CCC([N@H+]2CCO[C@@H]3[C@H](COCc4cccnc4)CC[C@@H]32)CC1 ZINC001169885690 1079458969 /nfs/dbraw/zinc/45/89/69/1079458969.db2.gz SYVYNNQJAGRCLQ-LHBDJYESSA-N 1 2 408.564 2.433 20 0 HEADLO COc1ccc([C@H]2CCCN2C(=O)C[N@@H+]2CCC[C@H](c3n[nH]c(=O)o3)C2)cc1OC ZINC001169862098 1079461037 /nfs/dbraw/zinc/46/10/37/1079461037.db2.gz DNEZPVBAHLYUSE-JKSUJKDBSA-N 1 2 416.478 2.336 20 0 HEADLO COc1ccc([C@H]2CCCN2C(=O)C[N@H+]2CCC[C@H](c3n[nH]c(=O)o3)C2)cc1OC ZINC001169862098 1079461045 /nfs/dbraw/zinc/46/10/45/1079461045.db2.gz DNEZPVBAHLYUSE-JKSUJKDBSA-N 1 2 416.478 2.336 20 0 HEADLO C[C@H](C[NH+]1CCOCC1)NC(=O)[C@H](NC(=O)OCc1ccccc1)c1ccccc1 ZINC000737793841 1075929594 /nfs/dbraw/zinc/92/95/94/1075929594.db2.gz IKKFLRKHOGBRGS-WIYYLYMNSA-N 1 2 411.502 2.491 20 0 HEADLO COC(=O)c1ncn(C[NH+]2CCC(C(=O)Nc3cccc(Br)c3)CC2)n1 ZINC000738117827 1075967091 /nfs/dbraw/zinc/96/70/91/1075967091.db2.gz XZVNCBUTJZXXFO-UHFFFAOYSA-N 1 2 422.283 2.135 20 0 HEADLO O=C1C(=O)N(C23CC4CC(CC(C4)C2)C3)C(=O)N1CN1CCC[C@H](n2cc[nH+]c2)C1 ZINC000738157132 1075970400 /nfs/dbraw/zinc/97/04/00/1075970400.db2.gz HBKMNFYZYOUBJW-XDHFQJGLSA-N 1 2 411.506 2.237 20 0 HEADLO CCc1ccc(C[NH+]2CCN(CC(=O)NC(=O)c3ccc(OC)cc3)CC2)s1 ZINC000738332251 1075982957 /nfs/dbraw/zinc/98/29/57/1075982957.db2.gz NXNLKMPQDURELS-UHFFFAOYSA-N 1 2 401.532 2.393 20 0 HEADLO O=C(C[N@H+]1CCC[C@@H](OCC(F)(F)F)C1)NCc1ccc(N2CCCC2=O)cc1 ZINC000738319190 1075989461 /nfs/dbraw/zinc/98/94/61/1075989461.db2.gz JICZQTSTNHBEAF-QGZVFWFLSA-N 1 2 413.440 2.473 20 0 HEADLO O=C(C[N@@H+]1CCC[C@@H](OCC(F)(F)F)C1)NCc1ccc(N2CCCC2=O)cc1 ZINC000738319190 1075989465 /nfs/dbraw/zinc/98/94/65/1075989465.db2.gz JICZQTSTNHBEAF-QGZVFWFLSA-N 1 2 413.440 2.473 20 0 HEADLO Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC000738472796 1076003865 /nfs/dbraw/zinc/00/38/65/1076003865.db2.gz SAQKKFQWJDAMQP-ZWKOTPCHSA-N 1 2 407.580 2.391 20 0 HEADLO COC[C@@H]1CC[N@H+](Cn2nc(N3CCOCC3)n(-c3ccccc3C)c2=S)C1 ZINC000739873623 1076083980 /nfs/dbraw/zinc/08/39/80/1076083980.db2.gz SOCHAUBPVYAVBV-QGZVFWFLSA-N 1 2 403.552 2.474 20 0 HEADLO COC[C@@H]1CC[N@@H+](Cn2nc(N3CCOCC3)n(-c3ccccc3C)c2=S)C1 ZINC000739873623 1076083986 /nfs/dbraw/zinc/08/39/86/1076083986.db2.gz SOCHAUBPVYAVBV-QGZVFWFLSA-N 1 2 403.552 2.474 20 0 HEADLO COC[C@@H]1CC[N@H+](Cn2nc(N3CCOCC3)n(-c3ccc(C)cc3)c2=S)C1 ZINC000739872326 1076084024 /nfs/dbraw/zinc/08/40/24/1076084024.db2.gz FHWBCPDILVBFAH-QGZVFWFLSA-N 1 2 403.552 2.474 20 0 HEADLO COC[C@@H]1CC[N@@H+](Cn2nc(N3CCOCC3)n(-c3ccc(C)cc3)c2=S)C1 ZINC000739872326 1076084032 /nfs/dbraw/zinc/08/40/32/1076084032.db2.gz FHWBCPDILVBFAH-QGZVFWFLSA-N 1 2 403.552 2.474 20 0 HEADLO C[N@@H+]1CCO[C@H]([C@H](NC(=O)NCCOc2cccnc2)c2ccc(Cl)cc2)C1 ZINC000766248967 1076135377 /nfs/dbraw/zinc/13/53/77/1076135377.db2.gz RIDAYVVKLBBYHV-RBUKOAKNSA-N 1 2 404.898 2.485 20 0 HEADLO C[N@H+]1CCO[C@H]([C@H](NC(=O)NCCOc2cccnc2)c2ccc(Cl)cc2)C1 ZINC000766248967 1076135385 /nfs/dbraw/zinc/13/53/85/1076135385.db2.gz RIDAYVVKLBBYHV-RBUKOAKNSA-N 1 2 404.898 2.485 20 0 HEADLO C[C@@H]1C[N@H+](CC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000740883514 1076282987 /nfs/dbraw/zinc/28/29/87/1076282987.db2.gz QXTNTHIWBFNWCK-OCCSQVGLSA-N 1 2 403.483 2.442 20 0 HEADLO C[C@@H]1C[N@@H+](CC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000740883514 1076283004 /nfs/dbraw/zinc/28/30/04/1076283004.db2.gz QXTNTHIWBFNWCK-OCCSQVGLSA-N 1 2 403.483 2.442 20 0 HEADLO CCO[C@@H]1C[C@H](O)C12CC[NH+](Cc1nnnn1-c1ccc(OC(F)F)cc1)CC2 ZINC000741255288 1076445576 /nfs/dbraw/zinc/44/55/76/1076445576.db2.gz HNQVTUOURYSDIK-JKSUJKDBSA-N 1 2 409.437 2.016 20 0 HEADLO O=C(COC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)N[C@@H]1CCOc2ccccc21 ZINC000741347336 1076490511 /nfs/dbraw/zinc/49/05/11/1076490511.db2.gz OTTHCNXUGZCMGU-TZIWHRDSSA-N 1 2 424.497 2.461 20 0 HEADLO O=C(COC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N[C@@H]1CCOc2ccccc21 ZINC000741347336 1076490515 /nfs/dbraw/zinc/49/05/15/1076490515.db2.gz OTTHCNXUGZCMGU-TZIWHRDSSA-N 1 2 424.497 2.461 20 0 HEADLO COc1ccccc1CNC(=O)COC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000741352506 1076492539 /nfs/dbraw/zinc/49/25/39/1076492539.db2.gz HTTGSYWFFPLPCY-FQEVSTJZSA-N 1 2 412.486 2.146 20 0 HEADLO COc1ccccc1CNC(=O)COC(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000741352506 1076492540 /nfs/dbraw/zinc/49/25/40/1076492540.db2.gz HTTGSYWFFPLPCY-FQEVSTJZSA-N 1 2 412.486 2.146 20 0 HEADLO NS(=O)(=O)c1ccc(OCCOC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)cc1 ZINC000741353566 1076493141 /nfs/dbraw/zinc/49/31/41/1076493141.db2.gz OVKLILRCFHQCCT-FQEVSTJZSA-N 1 2 418.515 2.311 20 0 HEADLO NS(=O)(=O)c1ccc(OCCOC(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)cc1 ZINC000741353566 1076493143 /nfs/dbraw/zinc/49/31/43/1076493143.db2.gz OVKLILRCFHQCCT-FQEVSTJZSA-N 1 2 418.515 2.311 20 0 HEADLO COC(=O)c1cccn2cc(COC(=O)C[C@@H]3C[N@H+](Cc4ccccc4)CCO3)nc12 ZINC000741357011 1076494585 /nfs/dbraw/zinc/49/45/85/1076494585.db2.gz SGEJDSOEBWGMDN-LJQANCHMSA-N 1 2 423.469 2.455 20 0 HEADLO COC(=O)c1cccn2cc(COC(=O)C[C@@H]3C[N@@H+](Cc4ccccc4)CCO3)nc12 ZINC000741357011 1076494588 /nfs/dbraw/zinc/49/45/88/1076494588.db2.gz SGEJDSOEBWGMDN-LJQANCHMSA-N 1 2 423.469 2.455 20 0 HEADLO O=C(COC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1)Nc1cccc2nsnc21 ZINC000741379978 1076504790 /nfs/dbraw/zinc/50/47/90/1076504790.db2.gz BDVKCZIZLQUDJZ-QGZVFWFLSA-N 1 2 412.471 2.074 20 0 HEADLO O=C(COC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1)Nc1cccc2nsnc21 ZINC000741379978 1076504796 /nfs/dbraw/zinc/50/47/96/1076504796.db2.gz BDVKCZIZLQUDJZ-QGZVFWFLSA-N 1 2 412.471 2.074 20 0 HEADLO CN(Cc1ccccc1F)C(=O)COC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000741381317 1076506488 /nfs/dbraw/zinc/50/64/88/1076506488.db2.gz FPEMNAXLPVAUHO-FQEVSTJZSA-N 1 2 400.450 2.228 20 0 HEADLO CN(Cc1ccccc1F)C(=O)COC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000741381317 1076506498 /nfs/dbraw/zinc/50/64/98/1076506498.db2.gz FPEMNAXLPVAUHO-FQEVSTJZSA-N 1 2 400.450 2.228 20 0 HEADLO COc1ccccc1CNC(=O)[C@@H](C)OC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000741383185 1076506535 /nfs/dbraw/zinc/50/65/35/1076506535.db2.gz SLOHCYLTVXFRNL-DYESRHJHSA-N 1 2 412.486 2.144 20 0 HEADLO COc1ccccc1CNC(=O)[C@@H](C)OC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000741383185 1076506539 /nfs/dbraw/zinc/50/65/39/1076506539.db2.gz SLOHCYLTVXFRNL-DYESRHJHSA-N 1 2 412.486 2.144 20 0 HEADLO COc1ccccc1CNC(=O)[C@H](C)OC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000741383186 1076506617 /nfs/dbraw/zinc/50/66/17/1076506617.db2.gz SLOHCYLTVXFRNL-LAUBAEHRSA-N 1 2 412.486 2.144 20 0 HEADLO COc1ccccc1CNC(=O)[C@H](C)OC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000741383186 1076506622 /nfs/dbraw/zinc/50/66/22/1076506622.db2.gz SLOHCYLTVXFRNL-LAUBAEHRSA-N 1 2 412.486 2.144 20 0 HEADLO O=C(OCCCN1C(=O)c2ccccc2C1=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000741382978 1076507078 /nfs/dbraw/zinc/50/70/78/1076507078.db2.gz QWRSQFHZNPWGCX-FQEVSTJZSA-N 1 2 408.454 2.117 20 0 HEADLO O=C(OCCCN1C(=O)c2ccccc2C1=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000741382978 1076507084 /nfs/dbraw/zinc/50/70/84/1076507084.db2.gz QWRSQFHZNPWGCX-FQEVSTJZSA-N 1 2 408.454 2.117 20 0 HEADLO COc1cccc(CNC(=O)[C@@H](C)OC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)c1 ZINC000741384541 1076508877 /nfs/dbraw/zinc/50/88/77/1076508877.db2.gz PSOYDXWKOKFIKY-DYESRHJHSA-N 1 2 412.486 2.144 20 0 HEADLO COc1cccc(CNC(=O)[C@@H](C)OC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c1 ZINC000741384541 1076508885 /nfs/dbraw/zinc/50/88/85/1076508885.db2.gz PSOYDXWKOKFIKY-DYESRHJHSA-N 1 2 412.486 2.144 20 0 HEADLO CC[S@](=O)CCNC(=O)N(C)C1CC[NH+](Cc2ncc(C)c(OC)c2C)CC1 ZINC000741418278 1076516910 /nfs/dbraw/zinc/51/69/10/1076516910.db2.gz NHSGUBPURWIFLN-NDEPHWFRSA-N 1 2 410.584 2.081 20 0 HEADLO O=C(CN1CC[NH+](C[C@@H]2CN(c3ccccc3)C(=O)O2)CC1)N1CCc2ccccc21 ZINC000741776509 1076622804 /nfs/dbraw/zinc/62/28/04/1076622804.db2.gz KJTYVCFVCPZWBU-OAQYLSRUSA-N 1 2 420.513 2.219 20 0 HEADLO C[C@@H](c1cccnc1)[NH+]1CCN(CC(=O)NCc2ccc(N3CCCC3=O)cc2)CC1 ZINC000741788825 1076628301 /nfs/dbraw/zinc/62/83/01/1076628301.db2.gz HCHCRDPWOCWODX-IBGZPJMESA-N 1 2 421.545 2.203 20 0 HEADLO Cc1cccc(C2(O)CC[NH+](CC(=O)N[C@H](C)C(=O)N3CCCCC3)CC2)c1C ZINC000741807350 1076633801 /nfs/dbraw/zinc/63/38/01/1076633801.db2.gz AACNFONNGWHMIZ-LJQANCHMSA-N 1 2 401.551 2.104 20 0 HEADLO Cc1nn(C)c2sc(C(=O)N[C@@H](C)C(=O)N[C@@H](Cn3cc[nH+]c3)C(C)(C)C)cc12 ZINC000742054506 1076719992 /nfs/dbraw/zinc/71/99/92/1076719992.db2.gz ALATVIDOQTTZRL-BBRMVZONSA-N 1 2 416.551 2.489 20 0 HEADLO CN(C)c1ccc([NH+]2CCC(NC(=O)Cc3csc(-c4nc[nH]n4)n3)CC2)cc1 ZINC000742114148 1076746783 /nfs/dbraw/zinc/74/67/83/1076746783.db2.gz SZKXASDZFSITDB-UHFFFAOYSA-N 1 2 411.535 2.322 20 0 HEADLO C[N@@H+](Cc1ccccc1)CN1C(=O)NC2(CCN(C(=O)OC(C)(C)C)CC2)C1=O ZINC000742144445 1076756587 /nfs/dbraw/zinc/75/65/87/1076756587.db2.gz LVQZPOGXFKBEMM-UHFFFAOYSA-N 1 2 402.495 2.397 20 0 HEADLO C[N@H+](Cc1ccccc1)CN1C(=O)NC2(CCN(C(=O)OC(C)(C)C)CC2)C1=O ZINC000742144445 1076756600 /nfs/dbraw/zinc/75/66/00/1076756600.db2.gz LVQZPOGXFKBEMM-UHFFFAOYSA-N 1 2 402.495 2.397 20 0 HEADLO CC[C@@]1(c2ccc(OC)cc2)NC(=O)N(C[NH+]2CCC(OCCCOC)CC2)C1=O ZINC000742152061 1076767950 /nfs/dbraw/zinc/76/79/50/1076767950.db2.gz CQRLWLMHYABQNF-QFIPXVFZSA-N 1 2 419.522 2.327 20 0 HEADLO C[C@H]1Cc2cc(C(=O)N3CCC([N@H+](C)CC(F)F)CC3)ccc2N1S(C)(=O)=O ZINC000742237775 1076803259 /nfs/dbraw/zinc/80/32/59/1076803259.db2.gz OUXVZHYHGOZCTG-ZDUSSCGKSA-N 1 2 415.506 2.199 20 0 HEADLO C[C@H]1Cc2cc(C(=O)N3CCC([N@@H+](C)CC(F)F)CC3)ccc2N1S(C)(=O)=O ZINC000742237775 1076803261 /nfs/dbraw/zinc/80/32/61/1076803261.db2.gz OUXVZHYHGOZCTG-ZDUSSCGKSA-N 1 2 415.506 2.199 20 0 HEADLO CCCCCCNC(=O)[C@H]1CCCN(C(=O)C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000742248168 1076805915 /nfs/dbraw/zinc/80/59/15/1076805915.db2.gz QYGLGDSTIWRRNM-FQEVSTJZSA-N 1 2 415.582 2.139 20 0 HEADLO CCOC(=O)N1CCC(S(=O)(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)CC1 ZINC000742271148 1076807299 /nfs/dbraw/zinc/80/72/99/1076807299.db2.gz SGANMDNXKCTMCA-QGZVFWFLSA-N 1 2 417.959 2.483 20 0 HEADLO C[C@H](Cn1cc[nH+]c1)NS(=O)(=O)C[C@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000742277376 1076808992 /nfs/dbraw/zinc/80/89/92/1076808992.db2.gz NKAAMOPLEGFMOG-MJGOQNOKSA-N 1 2 420.535 2.240 20 0 HEADLO COc1ccccc1-n1cc(S(=O)(=O)NCc2[nH+]cc(C)c(OC)c2C)cn1 ZINC000742285801 1076816198 /nfs/dbraw/zinc/81/61/98/1076816198.db2.gz JTSICAGLHJBIAG-UHFFFAOYSA-N 1 2 402.476 2.380 20 0 HEADLO O=C(OCc1ccccc1)N1CCC[C@H](S(=O)(=O)N2CC[NH+](C3CCC3)CC2)C1 ZINC000742295987 1076820405 /nfs/dbraw/zinc/82/04/05/1076820405.db2.gz AYBPKGKIEAKFPU-FQEVSTJZSA-N 1 2 421.563 2.288 20 0 HEADLO COC(=O)c1nc2nc(C)cc(NC3CC[NH+](c4ccc(N(C)C)cc4)CC3)n2n1 ZINC000742417853 1076836437 /nfs/dbraw/zinc/83/64/37/1076836437.db2.gz YMGOFTMVGRZZSD-UHFFFAOYSA-N 1 2 409.494 2.366 20 0 HEADLO COc1ccc(F)cc1C[NH+]1CCN(Cn2cc(C)n(-c3cc(C)on3)c2=O)CC1 ZINC000742535498 1076848627 /nfs/dbraw/zinc/84/86/27/1076848627.db2.gz XUKJAIBGXZSVBC-UHFFFAOYSA-N 1 2 415.469 2.167 20 0 HEADLO CC(C)(C)c1ncc(/C=C\C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)s1 ZINC000742553581 1076851331 /nfs/dbraw/zinc/85/13/31/1076851331.db2.gz NIMNMUZOCMDBNV-WAYWQWQTSA-N 1 2 400.552 2.182 20 0 HEADLO CC(C)N1C(=O)C(=O)N(C[NH+]2CCC([C@H]3CCCN3C(=O)OC(C)(C)C)CC2)C1=O ZINC000742557440 1076851618 /nfs/dbraw/zinc/85/16/18/1076851618.db2.gz FEGPTUZIXSMIFA-MRXNPFEDSA-N 1 2 422.526 2.255 20 0 HEADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)CS[C@H]1CCS(=O)(=O)C1 ZINC000742943160 1076896822 /nfs/dbraw/zinc/89/68/22/1076896822.db2.gz XMOFHSJNTIRQTE-KRWDZBQOSA-N 1 2 411.593 2.067 20 0 HEADLO C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(CN2CCC[C@@H]2C[NH+]2CCOCC2)C1=O ZINC000743374761 1077035543 /nfs/dbraw/zinc/03/55/43/1077035543.db2.gz PUEZOKWPPUSLQP-QPPBQGQZSA-N 1 2 422.529 2.361 20 0 HEADLO CC[C@@]1(c2ccc(Cl)cc2)NC(=O)N(C[N@@H+]2CCC[C@@H]2CN2CCOCC2)C1=O ZINC000743376687 1077044545 /nfs/dbraw/zinc/04/45/45/1077044545.db2.gz ZHJYAOLJRUSGDL-NQIIRXRSSA-N 1 2 420.941 2.251 20 0 HEADLO CC[C@@]1(c2ccc(Cl)cc2)NC(=O)N(C[N@H+]2CCC[C@@H]2CN2CCOCC2)C1=O ZINC000743376687 1077044551 /nfs/dbraw/zinc/04/45/51/1077044551.db2.gz ZHJYAOLJRUSGDL-NQIIRXRSSA-N 1 2 420.941 2.251 20 0 HEADLO CC[C@@]1(c2ccc(Cl)cc2)NC(=O)N(CN2CCC[C@@H]2C[NH+]2CCOCC2)C1=O ZINC000743376687 1077044556 /nfs/dbraw/zinc/04/45/56/1077044556.db2.gz ZHJYAOLJRUSGDL-NQIIRXRSSA-N 1 2 420.941 2.251 20 0 HEADLO Cn1cc[nH+]c1C[C@@H](NC(=O)NCc1ccc(-n2cncn2)nc1)c1ccccc1 ZINC000743546426 1077066385 /nfs/dbraw/zinc/06/63/85/1077066385.db2.gz FAABAVQMMGZHET-GOSISDBHSA-N 1 2 402.462 2.179 20 0 HEADLO COCc1nc(C[N@@H+]2CCC[C@H](C(=O)NCCNC(=O)OC(C)(C)C)C2)cs1 ZINC000743842395 1077133036 /nfs/dbraw/zinc/13/30/36/1077133036.db2.gz CLZSHBBEUQAMEB-AWEZNQCLSA-N 1 2 412.556 2.142 20 0 HEADLO COCc1nc(C[N@H+]2CCC[C@H](C(=O)NCCNC(=O)OC(C)(C)C)C2)cs1 ZINC000743842395 1077133059 /nfs/dbraw/zinc/13/30/59/1077133059.db2.gz CLZSHBBEUQAMEB-AWEZNQCLSA-N 1 2 412.556 2.142 20 0 HEADLO Cc1ccc(C(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)cc1S(N)(=O)=O ZINC000743837045 1077138832 /nfs/dbraw/zinc/13/88/32/1077138832.db2.gz YDYXOUUWYHBTRM-UHFFFAOYSA-N 1 2 416.547 2.107 20 0 HEADLO CCCCOC(=O)c1ccc(NC(=O)CN2CCC[C@H]2C[NH+]2CCOCC2)cc1 ZINC000743856269 1077143796 /nfs/dbraw/zinc/14/37/96/1077143796.db2.gz ANNJUUXMGRXCJB-FQEVSTJZSA-N 1 2 403.523 2.379 20 0 HEADLO CC[NH+]1CCN(C(=O)C(=O)Nc2ccc([C@@H](C)NC(=O)OC(C)(C)C)cc2)CC1 ZINC000743886987 1077180028 /nfs/dbraw/zinc/18/00/28/1077180028.db2.gz DQNUWSGACUFNCK-OAHLLOKOSA-N 1 2 404.511 2.375 20 0 HEADLO Cc1ccc(N2CCOC2=O)cc1NC(=O)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000743887037 1077180803 /nfs/dbraw/zinc/18/08/03/1077180803.db2.gz GLXHEVYYJDXXQX-UHFFFAOYSA-N 1 2 422.485 2.235 20 0 HEADLO Cc1ccc(N2CCOC2=O)cc1NC(=O)C(=O)NCCCCNc1cccc[nH+]1 ZINC000743915873 1077197292 /nfs/dbraw/zinc/19/72/92/1077197292.db2.gz OYDGKIIXALNQEC-UHFFFAOYSA-N 1 2 411.462 2.294 20 0 HEADLO CCOc1ncccc1NC(=O)C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000743944657 1077238093 /nfs/dbraw/zinc/23/80/93/1077238093.db2.gz KFXDDSOYLRDWQC-UHFFFAOYSA-N 1 2 411.506 2.270 20 0 HEADLO CS(=O)(=O)c1ccc([C@@H](O)C[NH+]2CCC(NC(=O)C3CCCCC3)CC2)cc1 ZINC000744220118 1077343321 /nfs/dbraw/zinc/34/33/21/1077343321.db2.gz QTJGMOXVQBLEPH-FQEVSTJZSA-N 1 2 408.564 2.284 20 0 HEADLO C[C@@H](c1ccc(Cl)cc1)N1CC[NH+](CC(=O)N2CCC3(CC2)OCCO3)CC1 ZINC000744411895 1077384378 /nfs/dbraw/zinc/38/43/78/1077384378.db2.gz UYPSSIJNFQSOQQ-KRWDZBQOSA-N 1 2 407.942 2.384 20 0 HEADLO C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(CC(=O)N2CCC3(CC2)OCCO3)CC1 ZINC000744411895 1077384382 /nfs/dbraw/zinc/38/43/82/1077384382.db2.gz UYPSSIJNFQSOQQ-KRWDZBQOSA-N 1 2 407.942 2.384 20 0 HEADLO CCN(CC1CC[NH+]([C@@H]2CC(=O)N(c3cnccn3)C2=O)CC1)C(=O)OC(C)(C)C ZINC000744428817 1077390730 /nfs/dbraw/zinc/39/07/30/1077390730.db2.gz GVZVNALKLZSMJU-MRXNPFEDSA-N 1 2 417.510 2.078 20 0 HEADLO Cn1ccnc(N2CC[NH+](Cn3c4ccccc4nc3SC(F)F)CC2)c1=O ZINC000744441366 1077396453 /nfs/dbraw/zinc/39/64/53/1077396453.db2.gz QPTWKEXJLHGOHH-UHFFFAOYSA-N 1 2 406.462 2.224 20 0 HEADLO CC(C)(C)OC(=O)NC(C)(C)CCC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000737555691 1077573255 /nfs/dbraw/zinc/57/32/55/1077573255.db2.gz WUZIEPGFXWEWGH-UHFFFAOYSA-N 1 2 409.531 2.237 20 0 HEADLO C[C@H]1CC[N@H+](CCNC(=O)c2ccc3c(c2)[nH]c(=S)n(Cc2ccco2)c3=O)C1 ZINC000744798832 1077597602 /nfs/dbraw/zinc/59/76/02/1077597602.db2.gz HKUMVPQDWDDHIL-AWEZNQCLSA-N 1 2 412.515 2.398 20 0 HEADLO C[C@H]1CC[N@@H+](CCNC(=O)c2ccc3c(c2)[nH]c(=S)n(Cc2ccco2)c3=O)C1 ZINC000744798832 1077597603 /nfs/dbraw/zinc/59/76/03/1077597603.db2.gz HKUMVPQDWDDHIL-AWEZNQCLSA-N 1 2 412.515 2.398 20 0 HEADLO CCOC(=O)N1CCN(C(=O)[C@@H](C)OC(=O)[C@H](c2ccccc2)[NH+](CC)CC)CC1 ZINC000744998248 1077700958 /nfs/dbraw/zinc/70/09/58/1077700958.db2.gz QLUBPEOVXRHGIO-MJGOQNOKSA-N 1 2 419.522 2.302 20 0 HEADLO CC[N@@H+]1CCCC[C@H]1C(=O)OCC(=O)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000745087105 1077724846 /nfs/dbraw/zinc/72/48/46/1077724846.db2.gz VESMPNVMKXWKPX-IBGZPJMESA-N 1 2 407.555 2.045 20 0 HEADLO CC[N@H+]1CCCC[C@H]1C(=O)OCC(=O)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000745087105 1077724855 /nfs/dbraw/zinc/72/48/55/1077724855.db2.gz VESMPNVMKXWKPX-IBGZPJMESA-N 1 2 407.555 2.045 20 0 HEADLO COC(=O)c1ccc(Cl)c(NC(=O)C(=O)NCc2[nH+]cc(C)c(OC)c2C)c1 ZINC000065402612 1077730835 /nfs/dbraw/zinc/73/08/35/1077730835.db2.gz JHBUXFJGWYYXPK-UHFFFAOYSA-N 1 2 405.838 2.402 20 0 HEADLO CN(CCOc1ccc(Br)cc1)C(=O)COC(=O)[C@H]1CCCC[N@@H+]1C ZINC000745080537 1077734718 /nfs/dbraw/zinc/73/47/18/1077734718.db2.gz SXCLVQULKSBCRG-MRXNPFEDSA-N 1 2 413.312 2.314 20 0 HEADLO CN(CCOc1ccc(Br)cc1)C(=O)COC(=O)[C@H]1CCCC[N@H+]1C ZINC000745080537 1077734730 /nfs/dbraw/zinc/73/47/30/1077734730.db2.gz SXCLVQULKSBCRG-MRXNPFEDSA-N 1 2 413.312 2.314 20 0 HEADLO Cc1nn(C)c(C)c1C[C@@H](C)C(=O)OCC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000745276848 1077800667 /nfs/dbraw/zinc/80/06/67/1077800667.db2.gz ZJYUATFPIHBHEU-OAHLLOKOSA-N 1 2 418.563 2.165 20 0 HEADLO Cc1cccc(C[NH+]2CCN(C(=O)C(=O)Nc3ccc(Br)nc3)CC2)c1 ZINC000766326369 1077800707 /nfs/dbraw/zinc/80/07/07/1077800707.db2.gz DVHBNKONRPBJJS-UHFFFAOYSA-N 1 2 417.307 2.435 20 0 HEADLO COC(=O)c1c(OC)ccc(S(=O)(=O)Oc2cccc(-n3cc[nH+]c3)c2)c1OC ZINC000771760064 1079514289 /nfs/dbraw/zinc/51/42/89/1079514289.db2.gz VTTIKIQADYXRDV-UHFFFAOYSA-N 1 2 418.427 2.444 20 0 HEADLO O=C(COC(=O)c1cccc(C2OCCO2)c1)N1CC[NH+](Cc2cccs2)CC1 ZINC000766905365 1079515591 /nfs/dbraw/zinc/51/55/91/1079515591.db2.gz KWRPHGDSRHIGRI-UHFFFAOYSA-N 1 2 416.499 2.295 20 0 HEADLO C[C@@H]1C[C@H]1C(=O)Nc1ccc(F)cc1C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000804346202 1079546330 /nfs/dbraw/zinc/54/63/30/1079546330.db2.gz JWHMPCAAZAQTHI-RHSMWYFYSA-N 1 2 415.469 2.201 20 0 HEADLO O=C(OCCn1cc[nH+]c1)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000771873931 1079560851 /nfs/dbraw/zinc/56/08/51/1079560851.db2.gz KVDGXVARQOGLBN-UHFFFAOYSA-N 1 2 403.504 2.016 20 0 HEADLO Cc1ncc(CCNC(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)s1 ZINC000771951677 1079598721 /nfs/dbraw/zinc/59/87/21/1079598721.db2.gz LJFHVNVKDZGBNH-UHFFFAOYSA-N 1 2 401.536 2.396 20 0 HEADLO NC(=O)c1c2c(sc1NC(=O)CN1CC[NH+](Cc3cccc(F)c3)CC1)CCC2 ZINC000767041864 1079601084 /nfs/dbraw/zinc/60/10/84/1079601084.db2.gz UAXXEVMJKGQWAD-UHFFFAOYSA-N 1 2 416.522 2.231 20 0 HEADLO Cc1n[nH]c(C)c1[C@H](C)CC(=O)OCC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000772032094 1079657225 /nfs/dbraw/zinc/65/72/25/1079657225.db2.gz UOQBDCJOCNZEAX-CQSZACIVSA-N 1 2 404.536 2.469 20 0 HEADLO C[C@H](OC(=O)C[N@H+](C)[C@@H]1CCSC1)C(=O)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000772049879 1079671258 /nfs/dbraw/zinc/67/12/58/1079671258.db2.gz UCWUDNKOXMFCHB-CMPLNLGQSA-N 1 2 402.419 2.316 20 0 HEADLO C[C@H](OC(=O)C[N@@H+](C)[C@@H]1CCSC1)C(=O)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000772049879 1079671267 /nfs/dbraw/zinc/67/12/67/1079671267.db2.gz UCWUDNKOXMFCHB-CMPLNLGQSA-N 1 2 402.419 2.316 20 0 HEADLO COc1ccc(OC)c([C@H](C)NC(=O)[C@@H](C)OC(=O)C[N@H+](C)[C@@H]2CCSC2)c1 ZINC000767116871 1079683315 /nfs/dbraw/zinc/68/33/15/1079683315.db2.gz NSTFYYMYOSVMQX-RRFJBIMHSA-N 1 2 410.536 2.250 20 0 HEADLO COc1ccc(OC)c([C@H](C)NC(=O)[C@@H](C)OC(=O)C[N@@H+](C)[C@@H]2CCSC2)c1 ZINC000767116871 1079683323 /nfs/dbraw/zinc/68/33/23/1079683323.db2.gz NSTFYYMYOSVMQX-RRFJBIMHSA-N 1 2 410.536 2.250 20 0 HEADLO C[N@H+](CC(=O)OCC(=O)NCc1ccc(F)cc1C(F)(F)F)[C@@H]1CCSC1 ZINC000767118596 1079686755 /nfs/dbraw/zinc/68/67/55/1079686755.db2.gz XCPDUCJCBQFNAH-CYBMUJFWSA-N 1 2 408.417 2.441 20 0 HEADLO C[N@@H+](CC(=O)OCC(=O)NCc1ccc(F)cc1C(F)(F)F)[C@@H]1CCSC1 ZINC000767118596 1079686761 /nfs/dbraw/zinc/68/67/61/1079686761.db2.gz XCPDUCJCBQFNAH-CYBMUJFWSA-N 1 2 408.417 2.441 20 0 HEADLO CCC[C@@H]1CN(C(=O)CCn2c(=O)c3ccccc3[nH]c2=S)CC[N@@H+]1CCOC ZINC000767123144 1079690771 /nfs/dbraw/zinc/69/07/71/1079690771.db2.gz LVIDHYUJYPVRLX-MRXNPFEDSA-N 1 2 418.563 2.035 20 0 HEADLO CCC[C@@H]1CN(C(=O)CCn2c(=O)c3ccccc3[nH]c2=S)CC[N@H+]1CCOC ZINC000767123144 1079690783 /nfs/dbraw/zinc/69/07/83/1079690783.db2.gz LVIDHYUJYPVRLX-MRXNPFEDSA-N 1 2 418.563 2.035 20 0 HEADLO Cc1c(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)cnn1-c1cc(C)ccc1C ZINC000772081563 1079691475 /nfs/dbraw/zinc/69/14/75/1079691475.db2.gz CLLBCEUQLAVAKE-UHFFFAOYSA-N 1 2 418.563 2.036 20 0 HEADLO C[C@H]1C[N@@H+]([C@H]2C[C@@H](C(=O)N3CCSC3)N(C(=O)OC(C)(C)C)C2)CCCC1=O ZINC001170038520 1079723361 /nfs/dbraw/zinc/72/33/61/1079723361.db2.gz LUWNDMXCWHENEG-JYJNAYRXSA-N 1 2 411.568 2.198 20 0 HEADLO C[C@H]1C[N@H+]([C@H]2C[C@@H](C(=O)N3CCSC3)N(C(=O)OC(C)(C)C)C2)CCCC1=O ZINC001170038520 1079723369 /nfs/dbraw/zinc/72/33/69/1079723369.db2.gz LUWNDMXCWHENEG-JYJNAYRXSA-N 1 2 411.568 2.198 20 0 HEADLO CC[N@@H+](Cc1nc(=O)c2c(C)c(C(=O)OCCOC)sc2[nH]1)C[C@@H]1CCCO1 ZINC000772260568 1079767233 /nfs/dbraw/zinc/76/72/33/1079767233.db2.gz JZGPLZXQMAJTNX-ZDUSSCGKSA-N 1 2 409.508 2.097 20 0 HEADLO CC[N@H+](Cc1nc(=O)c2c(C)c(C(=O)OCCOC)sc2[nH]1)C[C@@H]1CCCO1 ZINC000772260568 1079767269 /nfs/dbraw/zinc/76/72/69/1079767269.db2.gz JZGPLZXQMAJTNX-ZDUSSCGKSA-N 1 2 409.508 2.097 20 0 HEADLO COC(=O)/C=C\c1ccc(OCC[NH+]2CCN(C(=O)c3cccc(O)c3)CC2)cc1 ZINC000767332258 1079808863 /nfs/dbraw/zinc/80/88/63/1079808863.db2.gz OFKUEEJMQUMIGG-YFHOEESVSA-N 1 2 410.470 2.415 20 0 HEADLO CN(C)c1ccc(N2C(=O)C[C@H]([NH+]3CCC([C@@](C)(O)C(F)(F)F)CC3)C2=O)cc1 ZINC000767359830 1079828578 /nfs/dbraw/zinc/82/85/78/1079828578.db2.gz IFEDQOFXNIDUOJ-QFBILLFUSA-N 1 2 413.440 2.410 20 0 HEADLO O=C1O[C@@H](Cn2nnc([C@@H]3C[N@H+](Cc4ccccc4)CCO3)n2)CN1c1ccccc1 ZINC000767391792 1079842985 /nfs/dbraw/zinc/84/29/85/1079842985.db2.gz GOIHMPNHFJNZNB-UXHICEINSA-N 1 2 420.473 2.272 20 0 HEADLO O=C1O[C@@H](Cn2nnc([C@@H]3C[N@@H+](Cc4ccccc4)CCO3)n2)CN1c1ccccc1 ZINC000767391792 1079842989 /nfs/dbraw/zinc/84/29/89/1079842989.db2.gz GOIHMPNHFJNZNB-UXHICEINSA-N 1 2 420.473 2.272 20 0 HEADLO Cc1cncc(/C=C/C(=O)OCC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)c1 ZINC000772364122 1079846883 /nfs/dbraw/zinc/84/68/83/1079846883.db2.gz DWTOXAYJPZTMHW-HWKANZROSA-N 1 2 421.497 2.226 20 0 HEADLO CN(C)c1cc(COC(=O)CN2C(=O)N[C@@](C)(CCc3ccccc3)C2=O)cc[nH+]1 ZINC000767438832 1079863936 /nfs/dbraw/zinc/86/39/36/1079863936.db2.gz MGMHLNXCHQXZKW-QFIPXVFZSA-N 1 2 410.474 2.134 20 0 HEADLO CCOc1ccccc1C(=O)N1CCC[C@@H]1C(=O)OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000767485887 1079901689 /nfs/dbraw/zinc/90/16/89/1079901689.db2.gz WAAPTGVMHRYLRO-ZIFCJYIRSA-N 1 2 402.491 2.096 20 0 HEADLO CCOc1ccccc1C(=O)N1CCC[C@@H]1C(=O)OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000767485887 1079901696 /nfs/dbraw/zinc/90/16/96/1079901696.db2.gz WAAPTGVMHRYLRO-ZIFCJYIRSA-N 1 2 402.491 2.096 20 0 HEADLO O=C(OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)[C@H]1CSCN1C(=O)c1ccc(Cl)cc1 ZINC000767533309 1079925960 /nfs/dbraw/zinc/92/59/60/1079925960.db2.gz DBMZHMLVNVCPLR-IXDOHACOSA-N 1 2 410.923 2.262 20 0 HEADLO O=C(OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)[C@H]1CSCN1C(=O)c1ccc(Cl)cc1 ZINC000767533309 1079925967 /nfs/dbraw/zinc/92/59/67/1079925967.db2.gz DBMZHMLVNVCPLR-IXDOHACOSA-N 1 2 410.923 2.262 20 0 HEADLO O=C(CCC(=O)N1CCN(c2cccc[nH+]2)CC1)OCCOc1ccc(F)cc1 ZINC000767535647 1079935896 /nfs/dbraw/zinc/93/58/96/1079935896.db2.gz DIURQZYUXRXSAY-UHFFFAOYSA-N 1 2 401.438 2.272 20 0 HEADLO O=C(CCC(=O)N1CCN(c2cccc[nH+]2)CC1)OCCOc1cccc(F)c1 ZINC000767538589 1079941841 /nfs/dbraw/zinc/94/18/41/1079941841.db2.gz OHSUXUCOAYJHJT-UHFFFAOYSA-N 1 2 401.438 2.272 20 0 HEADLO O=C(CCC(=O)N1CCN(c2cccc[nH+]2)CC1)OCC(=O)c1ccc(F)cc1F ZINC000767540642 1079945547 /nfs/dbraw/zinc/94/55/47/1079945547.db2.gz YAXBTQMVEHINQX-UHFFFAOYSA-N 1 2 417.412 2.215 20 0 HEADLO O=C(CCC(=O)N1CCN(c2cccc[nH+]2)CC1)OCc1cccc2nsnc21 ZINC000767540735 1079945687 /nfs/dbraw/zinc/94/56/87/1079945687.db2.gz ZCDOJLBRTWNMLR-UHFFFAOYSA-N 1 2 411.487 2.259 20 0 HEADLO O=C(c1ccccc1)c1ccccc1S(=O)(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000772571526 1079974063 /nfs/dbraw/zinc/97/40/63/1079974063.db2.gz HNHKRTJUXFEOGQ-ROUUACIJSA-N 1 2 400.500 2.059 20 0 HEADLO O=C(c1ccccc1)c1ccccc1S(=O)(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000772571526 1079974067 /nfs/dbraw/zinc/97/40/67/1079974067.db2.gz HNHKRTJUXFEOGQ-ROUUACIJSA-N 1 2 400.500 2.059 20 0 HEADLO CCC(CC)[C@@H](C(=O)Nc1ccc(N2CCNC(=O)C2)c(Cl)c1)[NH+]1CCOCC1 ZINC000742045952 1080030444 /nfs/dbraw/zinc/03/04/44/1080030444.db2.gz KLTRVVONJRAEJF-FQEVSTJZSA-N 1 2 422.957 2.352 20 0 HEADLO CC(C)(C)n1cc(C(=O)N2CCC[N@H+](CC(N)=O)CC2)c(-c2ccc(F)cc2F)n1 ZINC000742066375 1080039910 /nfs/dbraw/zinc/03/99/10/1080039910.db2.gz XYZWCEDXQWMNIN-UHFFFAOYSA-N 1 2 419.476 2.217 20 0 HEADLO CC(C)(C)n1cc(C(=O)N2CCC[N@@H+](CC(N)=O)CC2)c(-c2ccc(F)cc2F)n1 ZINC000742066375 1080039920 /nfs/dbraw/zinc/03/99/20/1080039920.db2.gz XYZWCEDXQWMNIN-UHFFFAOYSA-N 1 2 419.476 2.217 20 0 HEADLO CN(C)c1ccc([NH+]2CCC(NC(=O)C(=O)NCCc3cccc(F)c3)CC2)cc1 ZINC000785538108 1080046871 /nfs/dbraw/zinc/04/68/71/1080046871.db2.gz BONDOROOBQMNQP-UHFFFAOYSA-N 1 2 412.509 2.336 20 0 HEADLO CO[C@@H](CNC(=O)OC(C)(C)C)CC(=O)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000767713690 1080047542 /nfs/dbraw/zinc/04/75/42/1080047542.db2.gz ZEVSAYDCEDAOMN-GOSISDBHSA-N 1 2 407.511 2.387 20 0 HEADLO CCOC1CC(CNC(=O)NCCCOc2ccccc2F)([NH+]2CCOCC2)C1 ZINC000767753863 1080070467 /nfs/dbraw/zinc/07/04/67/1080070467.db2.gz KTGSFMKZIYYVKB-UHFFFAOYSA-N 1 2 409.502 2.164 20 0 HEADLO COc1cccc([C@@H]2CN(C(=O)[C@@H](C)CS(=O)(=O)c3ccc(F)cc3)CC[NH2+]2)c1 ZINC001169974876 1080079790 /nfs/dbraw/zinc/07/97/90/1080079790.db2.gz LXEVCDVWKNUSEK-YWZLYKJASA-N 1 2 420.506 2.417 20 0 HEADLO CC1CCC2(CC1)NC(=O)N(NC(=O)C[NH2+]C1(c3nccs3)CCCC1)C2=O ZINC000746489926 1080087242 /nfs/dbraw/zinc/08/72/42/1080087242.db2.gz RLCGIAPGWLLUSX-UHFFFAOYSA-N 1 2 405.524 2.034 20 0 HEADLO CC[C@]1(c2ccc(OC)cc2)NC(=O)N(C[N@@H+]2CCS[C@H]3COCC[C@@H]32)C1=O ZINC000767784070 1080091030 /nfs/dbraw/zinc/09/10/30/1080091030.db2.gz BBKMVIIESAMYAI-ABSDTBQOSA-N 1 2 405.520 2.016 20 0 HEADLO CC[C@]1(c2ccc(OC)cc2)NC(=O)N(C[N@H+]2CCS[C@H]3COCC[C@@H]32)C1=O ZINC000767784070 1080091039 /nfs/dbraw/zinc/09/10/39/1080091039.db2.gz BBKMVIIESAMYAI-ABSDTBQOSA-N 1 2 405.520 2.016 20 0 HEADLO COc1cc(S(=O)(=O)N[C@H](C)C[NH+]2CCN(c3ccccc3)CC2)cnc1Cl ZINC000767792380 1080096953 /nfs/dbraw/zinc/09/69/53/1080096953.db2.gz MLZDONQQKLWTEC-OAHLLOKOSA-N 1 2 424.954 2.233 20 0 HEADLO C[N@@H+]1CCc2nc(NC(=O)CO[C@H]3CCCN(C(=O)OC(C)(C)C)C3)sc2C1 ZINC000767807831 1080112475 /nfs/dbraw/zinc/11/24/75/1080112475.db2.gz VDDKAMFCRFXFCH-ZDUSSCGKSA-N 1 2 410.540 2.486 20 0 HEADLO C[N@H+]1CCc2nc(NC(=O)CO[C@H]3CCCN(C(=O)OC(C)(C)C)C3)sc2C1 ZINC000767807831 1080112498 /nfs/dbraw/zinc/11/24/98/1080112498.db2.gz VDDKAMFCRFXFCH-ZDUSSCGKSA-N 1 2 410.540 2.486 20 0 HEADLO CC(C)(C)OC(=O)N1CCO[C@H](C(=O)NCC[N@@H+]2CCc3c(Cl)cccc3C2)C1 ZINC000785611016 1080114019 /nfs/dbraw/zinc/11/40/19/1080114019.db2.gz ZKFVXPZQFKRKLV-SFHVURJKSA-N 1 2 423.941 2.450 20 0 HEADLO CC(C)(C)OC(=O)N1CCO[C@H](C(=O)NCC[N@H+]2CCc3c(Cl)cccc3C2)C1 ZINC000785611016 1080114040 /nfs/dbraw/zinc/11/40/40/1080114040.db2.gz ZKFVXPZQFKRKLV-SFHVURJKSA-N 1 2 423.941 2.450 20 0 HEADLO C[C@H](CCSc1ccccc1)OC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000785664486 1080186092 /nfs/dbraw/zinc/18/60/92/1080186092.db2.gz SSHBWNYGFQGBJQ-MSOLQXFVSA-N 1 2 406.548 2.281 20 0 HEADLO COc1cccc([C@@H]2CN(C(=O)c3cc(Br)c(C=O)n3C)CC[NH2+]2)c1 ZINC001169977077 1080208849 /nfs/dbraw/zinc/20/88/49/1080208849.db2.gz XZKKIPSMYAAWAK-HNNXBMFYSA-N 1 2 406.280 2.395 20 0 HEADLO CC[C@@]1(C)CC(=O)N(C[N@@H+]2CCC[C@@H](CNS(=O)(=O)c3ccc(C)cc3)C2)C1=O ZINC000767975374 1080244353 /nfs/dbraw/zinc/24/43/53/1080244353.db2.gz ZINCMXXFIULKJX-UWJYYQICSA-N 1 2 421.563 2.118 20 0 HEADLO CC[C@@]1(C)CC(=O)N(C[N@H+]2CCC[C@@H](CNS(=O)(=O)c3ccc(C)cc3)C2)C1=O ZINC000767975374 1080244364 /nfs/dbraw/zinc/24/43/64/1080244364.db2.gz ZINCMXXFIULKJX-UWJYYQICSA-N 1 2 421.563 2.118 20 0 HEADLO C[C@@](O)(C[N@@H+]1CCC[C@@H](Oc2ncccc2F)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000785837521 1080265525 /nfs/dbraw/zinc/26/55/25/1080265525.db2.gz JIQPHCLRJVMRET-OXQOHEQNSA-N 1 2 408.495 2.375 20 0 HEADLO C[C@@](O)(C[N@H+]1CCC[C@@H](Oc2ncccc2F)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000785837521 1080265530 /nfs/dbraw/zinc/26/55/30/1080265530.db2.gz JIQPHCLRJVMRET-OXQOHEQNSA-N 1 2 408.495 2.375 20 0 HEADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N[C@@H](C)[C@H](O)c1ccc2c(c1)OCO2 ZINC000785879289 1080273348 /nfs/dbraw/zinc/27/33/48/1080273348.db2.gz QFVODDAMTAMUQE-XOBRGWDASA-N 1 2 414.462 2.199 20 0 HEADLO CO[C@H](CNC(=O)OC(C)(C)C)CC(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000768068180 1080304492 /nfs/dbraw/zinc/30/44/92/1080304492.db2.gz IVLAHSDBTKOSER-HNNXBMFYSA-N 1 2 408.499 2.095 20 0 HEADLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)[C@@]2(NC(=O)OCc3ccccc3)CCOC2)C1 ZINC000768129278 1080363810 /nfs/dbraw/zinc/36/38/10/1080363810.db2.gz UVRPQMWHXMHEPV-PGRDOPGGSA-N 1 2 412.490 2.212 20 0 HEADLO COCC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000768154652 1080373446 /nfs/dbraw/zinc/37/34/46/1080373446.db2.gz WYFFKZHWNDKGDM-RTBURBONSA-N 1 2 414.506 2.458 20 0 HEADLO CC(=O)N1CCC([NH+]2CCN(S(=O)(=O)c3c(C)c(C)cc(C)c3C)CC2)CC1 ZINC000768155159 1080374746 /nfs/dbraw/zinc/37/47/46/1080374746.db2.gz BRICRNDVRGUPBR-UHFFFAOYSA-N 1 2 407.580 2.237 20 0 HEADLO COC(=O)CCn1nc(C)c(C[N@H+]2Cc3c(OC)ccc(OC)c3[C@H](O)C2)c1C ZINC000768206995 1080395504 /nfs/dbraw/zinc/39/55/04/1080395504.db2.gz NYHKGRSZGMPOEW-QGZVFWFLSA-N 1 2 403.479 2.129 20 0 HEADLO COC(=O)CCn1nc(C)c(C[N@@H+]2Cc3c(OC)ccc(OC)c3[C@H](O)C2)c1C ZINC000768206995 1080395510 /nfs/dbraw/zinc/39/55/10/1080395510.db2.gz NYHKGRSZGMPOEW-QGZVFWFLSA-N 1 2 403.479 2.129 20 0 HEADLO CC(C)(C)OC(=O)NCc1cc(C(=O)N2CCC[C@H]2C[NH+]2CCOCC2)ccn1 ZINC000768195514 1080411473 /nfs/dbraw/zinc/41/14/73/1080411473.db2.gz ATPUEMYRQUUDQU-SFHVURJKSA-N 1 2 404.511 2.043 20 0 HEADLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(Cc2ccc(NC(=O)OC(C)(C)C)nc2)CC1 ZINC000768228642 1080432147 /nfs/dbraw/zinc/43/21/47/1080432147.db2.gz KWTZDAGCDSEKHA-HNNXBMFYSA-N 1 2 403.527 2.213 20 0 HEADLO COc1ccnc(N2CC[NH+](Cc3cc4ccccc4nc3N3CCOCC3)CC2)n1 ZINC000768265393 1080449170 /nfs/dbraw/zinc/44/91/70/1080449170.db2.gz YVLNDUPNKHCFNF-UHFFFAOYSA-N 1 2 420.517 2.192 20 0 HEADLO COc1cc(C[N@@H+]2CC[C@@H](NC(=O)OC(C)(C)C)C2)cc(Cl)c1OCC(N)=O ZINC000768244458 1080457118 /nfs/dbraw/zinc/45/71/18/1080457118.db2.gz OHMAWNCVUYMARL-CYBMUJFWSA-N 1 2 413.902 2.312 20 0 HEADLO COc1cc(C[N@H+]2CC[C@@H](NC(=O)OC(C)(C)C)C2)cc(Cl)c1OCC(N)=O ZINC000768244458 1080457124 /nfs/dbraw/zinc/45/71/24/1080457124.db2.gz OHMAWNCVUYMARL-CYBMUJFWSA-N 1 2 413.902 2.312 20 0 HEADLO O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)c1ccc(-n2cnc3ccccc32)nc1 ZINC000768338292 1080496338 /nfs/dbraw/zinc/49/63/38/1080496338.db2.gz NKSLGCWSFAYWLA-QFIPXVFZSA-N 1 2 423.542 2.358 20 0 HEADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)c1ccc(-n2cnc3ccccc32)nc1 ZINC000768402067 1080525869 /nfs/dbraw/zinc/52/58/69/1080525869.db2.gz MUOMHSORQBFVMZ-UHFFFAOYSA-N 1 2 417.473 2.202 20 0 HEADLO Cc1n[nH]c(C)c1[C@H](C)C(=O)OCC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000786318641 1080560437 /nfs/dbraw/zinc/56/04/37/1080560437.db2.gz GRMHBEUYNZRCLR-AWEZNQCLSA-N 1 2 400.479 2.144 20 0 HEADLO CC(C)(C)OC(=O)NC1CC[NH+](CC(=O)NCc2nnc(C3CC3)n2C2CC2)CC1 ZINC000768447528 1080566280 /nfs/dbraw/zinc/56/62/80/1080566280.db2.gz DGWCWJLHQAEMHJ-UHFFFAOYSA-N 1 2 418.542 2.096 20 0 HEADLO COc1cccc(OCC[NH+]2CCN(C(=O)[C@]3(O)CCc4ccccc4C3)CC2)c1 ZINC000786392840 1080584160 /nfs/dbraw/zinc/58/41/60/1080584160.db2.gz PZUQXYVSRRQVLN-DEOSSOPVSA-N 1 2 410.514 2.138 20 0 HEADLO CCc1ccc([C@@]2(CC)NC(=O)N(CN3CCC[C@@H]3C[NH+]3CCOCC3)C2=O)cc1 ZINC000768493901 1080605575 /nfs/dbraw/zinc/60/55/75/1080605575.db2.gz LKARGAPCARTOQN-NFBKMPQASA-N 1 2 414.550 2.160 20 0 HEADLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)C(=O)N[C@@H]1CCc2ccccc2OC1 ZINC000786469784 1080613130 /nfs/dbraw/zinc/61/31/30/1080613130.db2.gz YPDOHIIQAHWLJM-LJQANCHMSA-N 1 2 408.502 2.198 20 0 HEADLO COC(=O)c1cc(S(=O)(=O)N2C[C@H](C)[N@H+](C)C[C@H]2C)c(F)cc1Br ZINC000768562587 1080632461 /nfs/dbraw/zinc/63/24/61/1080632461.db2.gz OQCGJBLKYQEDRZ-VHSXEESVSA-N 1 2 423.304 2.088 20 0 HEADLO COC(=O)c1cc(S(=O)(=O)N2C[C@H](C)[N@@H+](C)C[C@H]2C)c(F)cc1Br ZINC000768562587 1080632464 /nfs/dbraw/zinc/63/24/64/1080632464.db2.gz OQCGJBLKYQEDRZ-VHSXEESVSA-N 1 2 423.304 2.088 20 0 HEADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)C(=O)N1CCC([C@H](O)c2ccccc2)CC1 ZINC000786505825 1080662899 /nfs/dbraw/zinc/66/28/99/1080662899.db2.gz QWNLKRDNCPAIJL-JOCHJYFZSA-N 1 2 422.529 2.270 20 0 HEADLO CC(C)(C)OC(=O)Cn1cc(COC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)nn1 ZINC000768806408 1080782913 /nfs/dbraw/zinc/78/29/13/1080782913.db2.gz BGEUNHMSFYFASY-SFHVURJKSA-N 1 2 400.479 2.328 20 0 HEADLO CC(C)(C)OC(=O)Cn1cc(COC(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)nn1 ZINC000768806408 1080782924 /nfs/dbraw/zinc/78/29/24/1080782924.db2.gz BGEUNHMSFYFASY-SFHVURJKSA-N 1 2 400.479 2.328 20 0 HEADLO CCS(=O)(=O)CCn1cc(C)c(NC(=O)N(C)Cc2[nH+]cc(C)c(OC)c2C)n1 ZINC000786739556 1080788622 /nfs/dbraw/zinc/78/86/22/1080788622.db2.gz NKCARHGQBOECRM-UHFFFAOYSA-N 1 2 423.539 2.311 20 0 HEADLO CC(C)(C)OC(=O)N1CC[NH+](CCCNC(=O)c2cnn(CC(F)(F)F)c2)CC1 ZINC000786781201 1080820328 /nfs/dbraw/zinc/82/03/28/1080820328.db2.gz AMBNYEMTIVVBME-UHFFFAOYSA-N 1 2 419.448 2.118 20 0 HEADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)C(=O)NCc2ccccc2Br)C1 ZINC000786818686 1080843556 /nfs/dbraw/zinc/84/35/56/1080843556.db2.gz WHSQWIJGCJIWAC-CQSZACIVSA-N 1 2 405.296 2.205 20 0 HEADLO Cc1cc(CCNC(=O)N2CC[N@@H+](C)C[C@H]2CNC(=O)OC(C)(C)C)cc(C)c1O ZINC000786872886 1080863464 /nfs/dbraw/zinc/86/34/64/1080863464.db2.gz VSVHSPAEJGIEBY-GOSISDBHSA-N 1 2 420.554 2.402 20 0 HEADLO Cc1cc(CCNC(=O)N2CC[N@H+](C)C[C@H]2CNC(=O)OC(C)(C)C)cc(C)c1O ZINC000786872886 1080863467 /nfs/dbraw/zinc/86/34/67/1080863467.db2.gz VSVHSPAEJGIEBY-GOSISDBHSA-N 1 2 420.554 2.402 20 0 HEADLO Cn1cc(C(=O)OCC(=O)N2CC[NH+](Cc3cccs3)CC2)c(C(C)(C)C)n1 ZINC000768959905 1080884171 /nfs/dbraw/zinc/88/41/71/1080884171.db2.gz RXPJQBRUBGRJEV-UHFFFAOYSA-N 1 2 404.536 2.280 20 0 HEADLO COC(=O)[C@@](C)(NC(=O)[C@@H]1CCc2[nH+]ccn2C1)c1cccc(Br)c1 ZINC000786933995 1080898377 /nfs/dbraw/zinc/89/83/77/1080898377.db2.gz FECCLWNURVXGDW-XIKOKIGWSA-N 1 2 406.280 2.413 20 0 HEADLO CCC(CC)n1ccc(COC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)n1 ZINC000786996549 1080907155 /nfs/dbraw/zinc/90/71/55/1080907155.db2.gz LHGWVNQBWUXRSG-IBGZPJMESA-N 1 2 406.527 2.001 20 0 HEADLO O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)OCc1cc(Cl)nc(Cl)c1 ZINC000786997463 1080907897 /nfs/dbraw/zinc/90/78/97/1080907897.db2.gz NHSITIWKDHNVLC-CQSZACIVSA-N 1 2 416.305 2.145 20 0 HEADLO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)c2ccc(CNC(=O)OC(C)(C)C)o2)CC1 ZINC000746621556 1080944152 /nfs/dbraw/zinc/94/41/52/1080944152.db2.gz YNACYFSWCZRDOY-AWEZNQCLSA-N 1 2 409.483 2.014 20 0 HEADLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)CN1C(=O)N[C@@]2(CCCC(C)(C)C2)C1=O ZINC000769143085 1080959064 /nfs/dbraw/zinc/95/90/64/1080959064.db2.gz IWYAVZQEGYWAGG-YCRPNKLZSA-N 1 2 403.527 2.305 20 0 HEADLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)CN1C(=O)N[C@]2(CCCC(C)(C)C2)C1=O ZINC000769143084 1080959177 /nfs/dbraw/zinc/95/91/77/1080959177.db2.gz IWYAVZQEGYWAGG-VFNWGFHPSA-N 1 2 403.527 2.305 20 0 HEADLO Cc1ccc2nc(CNC(=O)C[NH+]3CCC(NC(=O)OC(C)(C)C)CC3)cn2c1 ZINC000769147757 1080960616 /nfs/dbraw/zinc/96/06/16/1080960616.db2.gz SWWHHNAVDZAAMV-UHFFFAOYSA-N 1 2 401.511 2.248 20 0 HEADLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)[C@H]1c2ccccc2CCN1C(=O)OC(C)(C)C ZINC000769190818 1080963921 /nfs/dbraw/zinc/96/39/21/1080963921.db2.gz ZMNKCNDMUDXXEQ-FXAWDEMLSA-N 1 2 416.566 2.273 20 0 HEADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1c2ccccc2CCN1C(=O)OC(C)(C)C ZINC000769178249 1080992490 /nfs/dbraw/zinc/99/24/90/1080992490.db2.gz HZIDLMSPSXIPAG-APWZRJJASA-N 1 2 403.523 2.358 20 0 HEADLO C[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]1c2ccccc2CCN1C(=O)OC(C)(C)C ZINC000769178249 1080992502 /nfs/dbraw/zinc/99/25/02/1080992502.db2.gz HZIDLMSPSXIPAG-APWZRJJASA-N 1 2 403.523 2.358 20 0 HEADLO C[C@H](NC(=O)C[NH+]1CCC(NC(=O)OC(C)(C)C)CC1)C(=O)Nc1ccccc1 ZINC000769199999 1081000223 /nfs/dbraw/zinc/00/02/23/1081000223.db2.gz KXNLPZAAVSHNDY-HNNXBMFYSA-N 1 2 404.511 2.119 20 0 HEADLO COc1ccc2[nH]c(C(=O)N3CC[N@H+](C)C[C@@H]3CNC(=O)OC(C)(C)C)cc2c1 ZINC000787111925 1081004928 /nfs/dbraw/zinc/00/49/28/1081004928.db2.gz ALJBZNODAMSJAC-HNNXBMFYSA-N 1 2 402.495 2.457 20 0 HEADLO COc1ccc2[nH]c(C(=O)N3CC[N@@H+](C)C[C@@H]3CNC(=O)OC(C)(C)C)cc2c1 ZINC000787111925 1081004937 /nfs/dbraw/zinc/00/49/37/1081004937.db2.gz ALJBZNODAMSJAC-HNNXBMFYSA-N 1 2 402.495 2.457 20 0 HEADLO COC(=O)CC1(CC(=O)N2CC[N@H+](C)C[C@H]2CNC(=O)OC(C)(C)C)CCCC1 ZINC000787111924 1081005011 /nfs/dbraw/zinc/00/50/11/1081005011.db2.gz AKWGFWWTXSBYHQ-MRXNPFEDSA-N 1 2 411.543 2.167 20 0 HEADLO COC(=O)CC1(CC(=O)N2CC[N@@H+](C)C[C@H]2CNC(=O)OC(C)(C)C)CCCC1 ZINC000787111924 1081005023 /nfs/dbraw/zinc/00/50/23/1081005023.db2.gz AKWGFWWTXSBYHQ-MRXNPFEDSA-N 1 2 411.543 2.167 20 0 HEADLO COc1ccc(NC(=O)N2CC[N@H+](C)C[C@@H]2CNC(=O)OC(C)(C)C)cc1OC ZINC000769230802 1081009834 /nfs/dbraw/zinc/00/98/34/1081009834.db2.gz RSYFDFJUKGRMNE-HNNXBMFYSA-N 1 2 408.499 2.376 20 0 HEADLO COc1ccc(NC(=O)N2CC[N@@H+](C)C[C@@H]2CNC(=O)OC(C)(C)C)cc1OC ZINC000769230802 1081009839 /nfs/dbraw/zinc/00/98/39/1081009839.db2.gz RSYFDFJUKGRMNE-HNNXBMFYSA-N 1 2 408.499 2.376 20 0 HEADLO CC(C)(C)OC(=O)N1CC[C@@H]([NH+]2CCN(Cc3nc(N)c4ccccc4n3)CC2)C1 ZINC000769286300 1081014079 /nfs/dbraw/zinc/01/40/79/1081014079.db2.gz NMCUQDNKRPTYBI-MRXNPFEDSA-N 1 2 412.538 2.339 20 0 HEADLO COC(=O)c1cccc(NC(=O)C[NH+]2CCC(CN(C)C(=O)OC(C)(C)C)CC2)n1 ZINC000787216185 1081051998 /nfs/dbraw/zinc/05/19/98/1081051998.db2.gz ZDGFZUMWRAIRTO-UHFFFAOYSA-N 1 2 420.510 2.386 20 0 HEADLO CC(C)(C)OC(=O)NC1CC[NH+](CC(=O)Nc2cccc(-n3ccnn3)c2)CC1 ZINC000769336248 1081061808 /nfs/dbraw/zinc/06/18/08/1081061808.db2.gz FISOKDUANGMGCE-UHFFFAOYSA-N 1 2 400.483 2.195 20 0 HEADLO COC(=O)[C@@H]1CC[N@H+](Cn2nc(N3CCCCC3)n(C[C@H]3CCCO3)c2=S)[C@H]1C ZINC000787242658 1081067281 /nfs/dbraw/zinc/06/72/81/1081067281.db2.gz JONDBBNXXCGJOU-GVDBMIGSSA-N 1 2 423.583 2.424 20 0 HEADLO COC(=O)[C@@H]1CC[N@@H+](Cn2nc(N3CCCCC3)n(C[C@H]3CCCO3)c2=S)[C@H]1C ZINC000787242658 1081067284 /nfs/dbraw/zinc/06/72/84/1081067284.db2.gz JONDBBNXXCGJOU-GVDBMIGSSA-N 1 2 423.583 2.424 20 0 HEADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)C(=O)NCc2ccc(OC3CCCC3)nc2)C1 ZINC000787257648 1081074160 /nfs/dbraw/zinc/07/41/60/1081074160.db2.gz MAVNZVAVWYJDES-QGZVFWFLSA-N 1 2 411.506 2.159 20 0 HEADLO C[S@@](=O)CC[NH+]1CCN(Cc2cn(-c3cccc(Cl)c3Cl)nn2)CC1 ZINC000769479582 1081077766 /nfs/dbraw/zinc/07/77/66/1081077766.db2.gz JAVMGSPDGMXKSD-RUZDIDTESA-N 1 2 402.351 2.070 20 0 HEADLO C[S@@](=O)CC[NH+]1CCN(Cc2cn(-c3ccccc3)nc2-c2cccnc2)CC1 ZINC000769481122 1081078188 /nfs/dbraw/zinc/07/81/88/1081078188.db2.gz RNIADWRDRWYMPG-GDLZYMKVSA-N 1 2 409.559 2.430 20 0 HEADLO CC(=O)Nc1ccccc1CC(=O)OCC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000769461788 1081087325 /nfs/dbraw/zinc/08/73/25/1081087325.db2.gz KPYCRQPHNKNYQT-UHFFFAOYSA-N 1 2 415.515 2.137 20 0 HEADLO COCCN1CC[N@H+](C)C2(CCN(c3nc(C(C)(C)C)nc(Cl)c3C)CC2)C1=O ZINC001164639955 719279832 /nfs/dbraw/zinc/27/98/32/719279832.db2.gz MCCYDPBGDLCEMA-UHFFFAOYSA-N 1 2 423.989 2.495 20 0 HEADLO COCCN1CC[N@@H+](C)C2(CCN(c3nc(C(C)(C)C)nc(Cl)c3C)CC2)C1=O ZINC001164639955 719279839 /nfs/dbraw/zinc/27/98/39/719279839.db2.gz MCCYDPBGDLCEMA-UHFFFAOYSA-N 1 2 423.989 2.495 20 0 HEADLO NC(=O)c1cc(F)cnc1N1CCC2(CC1)COCC[N@@H+]2Cc1ccc(F)cc1 ZINC001164671559 719520324 /nfs/dbraw/zinc/52/03/24/719520324.db2.gz FXEXQMNRUFLARI-UHFFFAOYSA-N 1 2 402.445 2.330 20 0 HEADLO NC(=O)c1cc(F)cnc1N1CCC2(CC1)COCC[N@H+]2Cc1ccc(F)cc1 ZINC001164671559 719520332 /nfs/dbraw/zinc/52/03/32/719520332.db2.gz FXEXQMNRUFLARI-UHFFFAOYSA-N 1 2 402.445 2.330 20 0 HEADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc(C(=O)OC(C)(C)C)cn1 ZINC001164701085 719853963 /nfs/dbraw/zinc/85/39/63/719853963.db2.gz JGJZGHHBSFTTSB-VGSWGCGISA-N 1 2 419.522 2.270 20 0 HEADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cnc(Cl)nc1SC ZINC001164697856 719854142 /nfs/dbraw/zinc/85/41/42/719854142.db2.gz BIHBDOPXFVVOBK-SJKOYZFVSA-N 1 2 400.932 2.085 20 0 HEADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(F)(F)c1cnc(Cl)cc1N ZINC001164702571 719856488 /nfs/dbraw/zinc/85/64/88/719856488.db2.gz NYKSGAOSIGVXDH-YVEFUNNKSA-N 1 2 418.872 2.095 20 0 HEADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(C)c2cc(OC)ccc2n1 ZINC001164705168 719858811 /nfs/dbraw/zinc/85/88/11/719858811.db2.gz UBTYTXUNDGUVRG-KSFYIVLOSA-N 1 2 414.506 2.180 20 0 HEADLO C=Cc1nc(Cl)nc(N2CC[C@@H]([NH+]3CCOCC3)C[C@@]2(C)C(=O)OC)c1OC ZINC001164699143 719866682 /nfs/dbraw/zinc/86/66/82/719866682.db2.gz AIBMSLPPDPIPQX-YJYMSZOUSA-N 1 2 410.902 2.014 20 0 HEADLO Cc1noc([C@]23COC[C@H]2CN(c2ncnc4c2C[N@H+](Cc2ccccc2)CC4)C3)n1 ZINC001164807588 720055137 /nfs/dbraw/zinc/05/51/37/720055137.db2.gz WBEBKVPPZOEVPH-WZONZLPQSA-N 1 2 418.501 2.131 20 0 HEADLO Cc1noc([C@]23COC[C@H]2CN(c2ncnc4c2C[N@@H+](Cc2ccccc2)CC4)C3)n1 ZINC001164807588 720055143 /nfs/dbraw/zinc/05/51/43/720055143.db2.gz WBEBKVPPZOEVPH-WZONZLPQSA-N 1 2 418.501 2.131 20 0 HEADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ncnc(C)c4C)CC3)C2=O)cs1 ZINC001164824849 720367063 /nfs/dbraw/zinc/36/70/63/720367063.db2.gz OPHIXXFEXYNODU-UHFFFAOYSA-N 1 2 400.552 2.172 20 0 HEADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ncnc(C)c4C)CC3)C2=O)cs1 ZINC001164824849 720367068 /nfs/dbraw/zinc/36/70/68/720367068.db2.gz OPHIXXFEXYNODU-UHFFFAOYSA-N 1 2 400.552 2.172 20 0 HEADLO Cc1nc2ccccc2c(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164824110 720439497 /nfs/dbraw/zinc/43/94/97/720439497.db2.gz LZZNIGYWQNEWDY-GOSISDBHSA-N 1 2 422.533 2.124 20 0 HEADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1ncc(F)cc1Cl)C2 ZINC001164821891 720445058 /nfs/dbraw/zinc/44/50/58/720445058.db2.gz AJIOTDZWJVNSGK-AWEZNQCLSA-N 1 2 409.893 2.060 20 0 HEADLO Cc1cccc2ncc(N3Cc4ncn(C)c4[C@H](COCC[NH+]4CCOCC4)C3)nc12 ZINC001164821925 720447233 /nfs/dbraw/zinc/44/72/33/720447233.db2.gz ASDQKJQCBRFHMM-SFHVURJKSA-N 1 2 422.533 2.124 20 0 HEADLO O=c1cc(Cn2cc[nH+]c2)nc2n1CCCN(C(F)(F)c1ccnc(Cl)c1)C2 ZINC001164857906 720895523 /nfs/dbraw/zinc/89/55/23/720895523.db2.gz KJSZWXCFODFHKX-UHFFFAOYSA-N 1 2 406.824 2.492 20 0 HEADLO Cc1nc2cnc(N3CCC[C@]4(C3)COCC[N@H+](Cc3c(C)noc3C)C4)nc2[nH]1 ZINC001164787089 721360740 /nfs/dbraw/zinc/36/07/40/721360740.db2.gz YWRQEEBAYURSHP-NRFANRHFSA-N 1 2 411.510 2.337 20 0 HEADLO Cc1nc2cnc(N3CCC[C@]4(C3)COCC[N@@H+](Cc3c(C)noc3C)C4)nc2[nH]1 ZINC001164787089 721360744 /nfs/dbraw/zinc/36/07/44/721360744.db2.gz YWRQEEBAYURSHP-NRFANRHFSA-N 1 2 411.510 2.337 20 0 HEADLO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4nc[nH]c5nc(=S)sc4-5)C3)O2)CC1 ZINC001164897454 721430164 /nfs/dbraw/zinc/43/01/64/721430164.db2.gz UDMXDSOCCDANKQ-KUHUBIRLSA-N 1 2 420.608 2.140 20 0 HEADLO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4nc[nH]c5nc(=S)sc4-5)C3)O2)CC1 ZINC001164897454 721430166 /nfs/dbraw/zinc/43/01/66/721430166.db2.gz UDMXDSOCCDANKQ-KUHUBIRLSA-N 1 2 420.608 2.140 20 0 HEADLO COc1cc(Cl)cnc1N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164912680 721771481 /nfs/dbraw/zinc/77/14/81/721771481.db2.gz OHELVBFSBMJOKC-HXUWFJFHSA-N 1 2 404.898 2.246 20 0 HEADLO COc1cc(Cl)cnc1N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164912680 721771484 /nfs/dbraw/zinc/77/14/84/721771484.db2.gz OHELVBFSBMJOKC-HXUWFJFHSA-N 1 2 404.898 2.246 20 0 HEADLO F[C@@H](Oc1ccnc(Cl)c1)N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164910398 721776387 /nfs/dbraw/zinc/77/63/87/721776387.db2.gz BMRAJJUFSRFSSE-WOJBJXKFSA-N 1 2 422.888 2.365 20 0 HEADLO F[C@@H](Oc1ccnc(Cl)c1)N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164910398 721776388 /nfs/dbraw/zinc/77/63/88/721776388.db2.gz BMRAJJUFSRFSSE-WOJBJXKFSA-N 1 2 422.888 2.365 20 0 HEADLO Clc1cnc(Cl)c(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164916629 721780635 /nfs/dbraw/zinc/78/06/35/721780635.db2.gz RFKIPTOJFHWIEJ-GOSISDBHSA-N 1 2 410.305 2.286 20 0 HEADLO Clc1cnc(Cl)c(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164916629 721780637 /nfs/dbraw/zinc/78/06/37/721780637.db2.gz RFKIPTOJFHWIEJ-GOSISDBHSA-N 1 2 410.305 2.286 20 0 HEADLO F[C@@H](Oc1cccc(Cl)n1)N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164915962 721782529 /nfs/dbraw/zinc/78/25/29/721782529.db2.gz MOBLGUNFCCZGRM-WOJBJXKFSA-N 1 2 422.888 2.365 20 0 HEADLO F[C@@H](Oc1cccc(Cl)n1)N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164915962 721782531 /nfs/dbraw/zinc/78/25/31/721782531.db2.gz MOBLGUNFCCZGRM-WOJBJXKFSA-N 1 2 422.888 2.365 20 0 HEADLO COc1nc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nc2ccccc21 ZINC001164915645 721786641 /nfs/dbraw/zinc/78/66/41/721786641.db2.gz MKXWMRATVVMNSM-HSZRJFAPSA-N 1 2 421.501 2.141 20 0 HEADLO COc1nc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nc2ccccc21 ZINC001164915645 721786645 /nfs/dbraw/zinc/78/66/45/721786645.db2.gz MKXWMRATVVMNSM-HSZRJFAPSA-N 1 2 421.501 2.141 20 0 HEADLO c1cncc(C[N@@H+]2CCOC[C@@]3(CN(c4cc(-c5ccncc5)ncn4)CCO3)C2)c1 ZINC001164914673 721795575 /nfs/dbraw/zinc/79/55/75/721795575.db2.gz PORVGGAONCAMKQ-QHCPKHFHSA-N 1 2 418.501 2.041 20 0 HEADLO c1cncc(C[N@H+]2CCOC[C@@]3(CN(c4cc(-c5ccncc5)ncn4)CCO3)C2)c1 ZINC001164914673 721795577 /nfs/dbraw/zinc/79/55/77/721795577.db2.gz PORVGGAONCAMKQ-QHCPKHFHSA-N 1 2 418.501 2.041 20 0 HEADLO CCSc1cncc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164914389 721796438 /nfs/dbraw/zinc/79/64/38/721796438.db2.gz MTORYWOEDFUTHG-FQEVSTJZSA-N 1 2 401.536 2.091 20 0 HEADLO CCSc1cncc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164914389 721796439 /nfs/dbraw/zinc/79/64/39/721796439.db2.gz MTORYWOEDFUTHG-FQEVSTJZSA-N 1 2 401.536 2.091 20 0 HEADLO Cc1cnc2n1CC[N@@H+](C)C21CCN(C(F)(F)c2cnc(Cl)cc2C(N)=O)CC1 ZINC001164918331 721818269 /nfs/dbraw/zinc/81/82/69/721818269.db2.gz OIOCPNIIWQQILQ-UHFFFAOYSA-N 1 2 424.883 2.325 20 0 HEADLO Cc1cnc2n1CC[N@H+](C)C21CCN(C(F)(F)c2cnc(Cl)cc2C(N)=O)CC1 ZINC001164918331 721818271 /nfs/dbraw/zinc/81/82/71/721818271.db2.gz OIOCPNIIWQQILQ-UHFFFAOYSA-N 1 2 424.883 2.325 20 0 HEADLO O=C(Nc1nncs1)c1cnc(N2CC[NH+](C[C@H]3CCCO3)CC2)c(Cl)c1 ZINC001165043601 721920049 /nfs/dbraw/zinc/92/00/49/721920049.db2.gz MXIUVONMGBBRMY-CYBMUJFWSA-N 1 2 408.915 2.140 20 0 HEADLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1nc(Cl)nc(Cl)n1)CC2 ZINC001164944441 721971982 /nfs/dbraw/zinc/97/19/82/721971982.db2.gz ISSLZPUEBDEPTR-UHFFFAOYSA-N 1 2 407.305 2.149 20 0 HEADLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1nc(Cl)nc(Cl)n1)CC2 ZINC001164944441 721971986 /nfs/dbraw/zinc/97/19/86/721971986.db2.gz ISSLZPUEBDEPTR-UHFFFAOYSA-N 1 2 407.305 2.149 20 0 HEADLO CC1(C)OC(=O)c2c1ccnc2N1CCC2(CC1)C(=O)NCC[N@H+]2Cc1ccccc1 ZINC001164944988 721972827 /nfs/dbraw/zinc/97/28/27/721972827.db2.gz LZNGZELOZVHZJJ-UHFFFAOYSA-N 1 2 420.513 2.458 20 0 HEADLO CC1(C)OC(=O)c2c1ccnc2N1CCC2(CC1)C(=O)NCC[N@@H+]2Cc1ccccc1 ZINC001164944988 721972830 /nfs/dbraw/zinc/97/28/30/721972830.db2.gz LZNGZELOZVHZJJ-UHFFFAOYSA-N 1 2 420.513 2.458 20 0 HEADLO CCCCCCn1cc(S(=O)(=O)N2CC[N@H+](C)Cc3ccccc32)c(=O)[nH]c1=O ZINC000769649172 1078484382 /nfs/dbraw/zinc/48/43/82/1078484382.db2.gz NWGRSVRRVMVPNX-UHFFFAOYSA-N 1 2 420.535 2.170 20 0 HEADLO CCCCCCn1cc(S(=O)(=O)N2CC[N@@H+](C)Cc3ccccc32)c(=O)[nH]c1=O ZINC000769649172 1078484385 /nfs/dbraw/zinc/48/43/85/1078484385.db2.gz NWGRSVRRVMVPNX-UHFFFAOYSA-N 1 2 420.535 2.170 20 0 HEADLO C[C@@H](NC(=O)CON=C(N)c1cccc(C[NH+]2CCOCC2)c1)c1ccc(F)cc1 ZINC000745448176 1078485878 /nfs/dbraw/zinc/48/58/78/1078485878.db2.gz DWYOFWPHXUJVLQ-MRXNPFEDSA-N 1 2 414.481 2.382 20 0 HEADLO COc1cc(C[NH+]2CCN(C3CN(C(=O)OC(C)(C)C)C3)CC2)cc(OC)c1OC ZINC000769729722 1078518562 /nfs/dbraw/zinc/51/85/62/1078518562.db2.gz MBCXIYWBHUANGO-UHFFFAOYSA-N 1 2 421.538 2.449 20 0 HEADLO O=C(C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@]13CCC[C@H]1OCC3)C2)NCC1CCCCC1 ZINC001109513316 1078534107 /nfs/dbraw/zinc/53/41/07/1078534107.db2.gz ARHZIFXVXGADLM-IFUXXNRASA-N 1 2 403.567 2.364 20 0 HEADLO O=C(C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@]13CCC[C@H]1OCC3)C2)NCC1CCCCC1 ZINC001109513316 1078534116 /nfs/dbraw/zinc/53/41/16/1078534116.db2.gz ARHZIFXVXGADLM-IFUXXNRASA-N 1 2 403.567 2.364 20 0 HEADLO CC(C)(C)OC(=O)N(CCCNC(=O)N1CCC[C@H]1C[NH+]1CCOCC1)C1CC1 ZINC000745608672 1078554358 /nfs/dbraw/zinc/55/43/58/1078554358.db2.gz KMLMYWWJKOACDO-SFHVURJKSA-N 1 2 410.559 2.282 20 0 HEADLO C[C@@H]([NH2+]Cc1nnnn1CC1CCOCC1)c1cc(F)ccc1N1CCC(O)CC1 ZINC000769785849 1078565268 /nfs/dbraw/zinc/56/52/68/1078565268.db2.gz GOPRFKVIWNBGIO-OAHLLOKOSA-N 1 2 418.517 2.051 20 0 HEADLO CC(C)(C)OC(=O)N1CCCC[C@@H]1CNC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000745783483 1078640809 /nfs/dbraw/zinc/64/08/09/1078640809.db2.gz SZJURSFPCFFFMR-QZTJIDSGSA-N 1 2 410.559 2.282 20 0 HEADLO CC[C@H](c1ccc(F)cc1F)N1CCN(C(=O)NCC[N@@H+]2CCO[C@H](C)C2)CC1 ZINC000745791850 1078649612 /nfs/dbraw/zinc/64/96/12/1078649612.db2.gz NAWUFJPSMHYDQF-OXQOHEQNSA-N 1 2 410.509 2.464 20 0 HEADLO CC[C@H](c1ccc(F)cc1F)N1CCN(C(=O)NCC[N@H+]2CCO[C@H](C)C2)CC1 ZINC000745791850 1078649614 /nfs/dbraw/zinc/64/96/14/1078649614.db2.gz NAWUFJPSMHYDQF-OXQOHEQNSA-N 1 2 410.509 2.464 20 0 HEADLO CCC(CC)(CNC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)SC ZINC000745789093 1078645505 /nfs/dbraw/zinc/64/55/05/1078645505.db2.gz BRWVZJXVHNXZAY-UHFFFAOYSA-N 1 2 407.584 2.341 20 0 HEADLO CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@H]1NC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000745794044 1078650585 /nfs/dbraw/zinc/65/05/85/1078650585.db2.gz VAFNPIDYAWGBGR-DLBZAZTESA-N 1 2 412.575 2.480 20 0 HEADLO CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@H]1NC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000745794044 1078650586 /nfs/dbraw/zinc/65/05/86/1078650586.db2.gz VAFNPIDYAWGBGR-DLBZAZTESA-N 1 2 412.575 2.480 20 0 HEADLO CCC(CC)(CNC(=O)NCC[N@@H+]1CCOCC1(C)C)NC(=O)OC(C)(C)C ZINC000745802663 1078653373 /nfs/dbraw/zinc/65/33/73/1078653373.db2.gz SZYCHQWHUULSOX-UHFFFAOYSA-N 1 2 400.564 2.480 20 0 HEADLO CCC(CC)(CNC(=O)NCC[N@H+]1CCOCC1(C)C)NC(=O)OC(C)(C)C ZINC000745802663 1078653376 /nfs/dbraw/zinc/65/33/76/1078653376.db2.gz SZYCHQWHUULSOX-UHFFFAOYSA-N 1 2 400.564 2.480 20 0 HEADLO C[C@H]1COCC[N@@H+]1CCNC(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC000745803258 1078653966 /nfs/dbraw/zinc/65/39/66/1078653966.db2.gz RFVQYGWQPXVZMD-WMZOPIPTSA-N 1 2 406.527 2.272 20 0 HEADLO C[C@H]1COCC[N@H+]1CCNC(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC000745803258 1078653970 /nfs/dbraw/zinc/65/39/70/1078653970.db2.gz RFVQYGWQPXVZMD-WMZOPIPTSA-N 1 2 406.527 2.272 20 0 HEADLO Cn1ccnc1[C@@H](O)[C@H]1CCCN(C(=O)NCc2ccccc2Cn2cc[nH+]c2)C1 ZINC000769962593 1078654303 /nfs/dbraw/zinc/65/43/03/1078654303.db2.gz CZXJGVQMIVBMBZ-PMACEKPBSA-N 1 2 408.506 2.320 20 0 HEADLO CCOC(=O)N1CCN(C(=O)[C@H](C)N2CC[NH+]([C@H](C)c3cccc(F)c3)CC2)CC1 ZINC000769927416 1078661908 /nfs/dbraw/zinc/66/19/08/1078661908.db2.gz HSDMCMSPZWTOOT-MSOLQXFVSA-N 1 2 420.529 2.194 20 0 HEADLO CCOC(=O)N1CCN(C(=O)[C@H](C)[NH+]2CCN([C@H](C)c3cccc(F)c3)CC2)CC1 ZINC000769927416 1078661912 /nfs/dbraw/zinc/66/19/12/1078661912.db2.gz HSDMCMSPZWTOOT-MSOLQXFVSA-N 1 2 420.529 2.194 20 0 HEADLO CC[C@@H](c1ccncc1)[N@H+](C)CC(=O)NN1C(=O)N[C@](CC)(c2ccccc2)C1=O ZINC000769935886 1078664400 /nfs/dbraw/zinc/66/44/00/1078664400.db2.gz DDRGNLSKWDZLCG-PGRDOPGGSA-N 1 2 409.490 2.353 20 0 HEADLO CC[C@@H](c1ccncc1)[N@@H+](C)CC(=O)NN1C(=O)N[C@](CC)(c2ccccc2)C1=O ZINC000769935886 1078664401 /nfs/dbraw/zinc/66/44/01/1078664401.db2.gz DDRGNLSKWDZLCG-PGRDOPGGSA-N 1 2 409.490 2.353 20 0 HEADLO CCOC(=O)N1CCN(C(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)CC1 ZINC000745870176 1078668583 /nfs/dbraw/zinc/66/85/83/1078668583.db2.gz RHPBWHLRKNLFGC-UHFFFAOYSA-N 1 2 403.527 2.205 20 0 HEADLO C[N@@H+]1CCN(C(=O)c2ccc3c(c2O)OC(C)(C)C3)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000769972127 1078669498 /nfs/dbraw/zinc/66/94/98/1078669498.db2.gz HLGJEHBDFHLUQM-OAHLLOKOSA-N 1 2 419.522 2.387 20 0 HEADLO C[N@H+]1CCN(C(=O)c2ccc3c(c2O)OC(C)(C)C3)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000769972127 1078669501 /nfs/dbraw/zinc/66/95/01/1078669501.db2.gz HLGJEHBDFHLUQM-OAHLLOKOSA-N 1 2 419.522 2.387 20 0 HEADLO C[N@@H+]1CCN(C(=O)c2ccc3c(c2O)OC(C)(C)C3)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000769972122 1078669545 /nfs/dbraw/zinc/66/95/45/1078669545.db2.gz HLGJEHBDFHLUQM-HNNXBMFYSA-N 1 2 419.522 2.387 20 0 HEADLO C[N@H+]1CCN(C(=O)c2ccc3c(c2O)OC(C)(C)C3)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000769972122 1078669547 /nfs/dbraw/zinc/66/95/47/1078669547.db2.gz HLGJEHBDFHLUQM-HNNXBMFYSA-N 1 2 419.522 2.387 20 0 HEADLO CC(=O)[C@H](Cc1ccccc1)NC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000745944220 1078708558 /nfs/dbraw/zinc/70/85/58/1078708558.db2.gz KIPILHLGMAPWBY-MOPGFXCFSA-N 1 2 403.523 2.244 20 0 HEADLO CC(=O)[C@H](Cc1ccccc1)NC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000745944220 1078708564 /nfs/dbraw/zinc/70/85/64/1078708564.db2.gz KIPILHLGMAPWBY-MOPGFXCFSA-N 1 2 403.523 2.244 20 0 HEADLO CON(C)S(=O)(=O)c1ccc(NC(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)cc1 ZINC000770112715 1078734128 /nfs/dbraw/zinc/73/41/28/1078734128.db2.gz BHERWPCEVNKVLH-CQSZACIVSA-N 1 2 407.496 2.014 20 0 HEADLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)Nc2cccc(S(=O)(=O)NC3CC3)c2)C1 ZINC000770132898 1078742305 /nfs/dbraw/zinc/74/23/05/1078742305.db2.gz WRNQWRNYOLNBFX-AWEZNQCLSA-N 1 2 403.508 2.272 20 0 HEADLO CC(C)[N@H+](CC(=O)NN1C(=O)N[C@@](C)(CCc2ccccc2)C1=O)Cc1ccco1 ZINC000746109756 1078789474 /nfs/dbraw/zinc/78/94/74/1078789474.db2.gz VGCPQRQBJNNKSK-QFIPXVFZSA-N 1 2 412.490 2.465 20 0 HEADLO CC(C)[N@@H+](CC(=O)NN1C(=O)N[C@@](C)(CCc2ccccc2)C1=O)Cc1ccco1 ZINC000746109756 1078789477 /nfs/dbraw/zinc/78/94/77/1078789477.db2.gz VGCPQRQBJNNKSK-QFIPXVFZSA-N 1 2 412.490 2.465 20 0 HEADLO C[C@@H](c1ccco1)[N@H+](C)CC(=O)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 ZINC000746124778 1078797882 /nfs/dbraw/zinc/79/78/82/1078797882.db2.gz WUDFSGHKWUCFAI-BXBHGGAKSA-N 1 2 417.531 2.417 20 0 HEADLO C[C@@H](c1ccco1)[N@@H+](C)CC(=O)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 ZINC000746124778 1078797892 /nfs/dbraw/zinc/79/78/92/1078797892.db2.gz WUDFSGHKWUCFAI-BXBHGGAKSA-N 1 2 417.531 2.417 20 0 HEADLO Fc1ccc(-c2nnc(SC[C@@H]3CCOCO3)n2CC[NH+]2CCOCC2)cc1 ZINC000746203665 1078817679 /nfs/dbraw/zinc/81/76/79/1078817679.db2.gz PDWFCBJUMATLQV-KRWDZBQOSA-N 1 2 408.499 2.272 20 0 HEADLO O=C(Nc1ccc2[nH+]ccn2c1)c1ccc(F)c(S(=O)(=O)Cc2ncon2)c1 ZINC000746249197 1078831480 /nfs/dbraw/zinc/83/14/80/1078831480.db2.gz YJKZSIAKVCCVBS-UHFFFAOYSA-N 1 2 401.379 2.083 20 0 HEADLO Cc1[nH]ncc1C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000770380102 1078834247 /nfs/dbraw/zinc/83/42/47/1078834247.db2.gz LKUCJDJJBVSSHB-FUHWJXTLSA-N 1 2 405.543 2.446 20 0 HEADLO Cc1[nH]ncc1C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000770380102 1078834250 /nfs/dbraw/zinc/83/42/50/1078834250.db2.gz LKUCJDJJBVSSHB-FUHWJXTLSA-N 1 2 405.543 2.446 20 0 HEADLO CCOC(=O)N1CC[C@H](NC(=O)N[C@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)C1 ZINC000770404309 1078843431 /nfs/dbraw/zinc/84/34/31/1078843431.db2.gz MJQNVGFQRQBBID-GJZGRUSLSA-N 1 2 410.465 2.459 20 0 HEADLO CCOC(=O)N1CC[C@H](NC(=O)N[C@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)C1 ZINC000770404309 1078843433 /nfs/dbraw/zinc/84/34/33/1078843433.db2.gz MJQNVGFQRQBBID-GJZGRUSLSA-N 1 2 410.465 2.459 20 0 HEADLO COc1cc2c(cc1OC)C[N@H+](CC(=O)N(C)CCCNC(=O)OC(C)(C)C)CC2 ZINC000770427999 1078850772 /nfs/dbraw/zinc/85/07/72/1078850772.db2.gz WHTCAUYAFBZVJY-UHFFFAOYSA-N 1 2 421.538 2.435 20 0 HEADLO COc1cc2c(cc1OC)C[N@@H+](CC(=O)N(C)CCCNC(=O)OC(C)(C)C)CC2 ZINC000770427999 1078850774 /nfs/dbraw/zinc/85/07/74/1078850774.db2.gz WHTCAUYAFBZVJY-UHFFFAOYSA-N 1 2 421.538 2.435 20 0 HEADLO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2nc3c(c(=O)[nH]2)COCC3)cc1 ZINC001168776523 1078854166 /nfs/dbraw/zinc/85/41/66/1078854166.db2.gz UQLKZEFOCCWOCD-CQSZACIVSA-N 1 2 420.535 2.136 20 0 HEADLO C[N@H+](CC(F)F)C1CCN(C(=O)c2cn(-c3ccc(C(F)(F)F)cn3)nn2)CC1 ZINC000746320781 1078857629 /nfs/dbraw/zinc/85/76/29/1078857629.db2.gz DNZFXXODFQGZJP-UHFFFAOYSA-N 1 2 418.370 2.483 20 0 HEADLO C[N@@H+](CC(F)F)C1CCN(C(=O)c2cn(-c3ccc(C(F)(F)F)cn3)nn2)CC1 ZINC000746320781 1078857635 /nfs/dbraw/zinc/85/76/35/1078857635.db2.gz DNZFXXODFQGZJP-UHFFFAOYSA-N 1 2 418.370 2.483 20 0 HEADLO C[N@H+](CC(F)F)C1CCN(C(=O)[C@H]2CCCN2C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000746321943 1078857992 /nfs/dbraw/zinc/85/79/92/1078857992.db2.gz AYYWRPALDMYXRQ-MRXNPFEDSA-N 1 2 423.460 2.208 20 0 HEADLO C[N@@H+](CC(F)F)C1CCN(C(=O)[C@H]2CCCN2C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000746321943 1078857997 /nfs/dbraw/zinc/85/79/97/1078857997.db2.gz AYYWRPALDMYXRQ-MRXNPFEDSA-N 1 2 423.460 2.208 20 0 HEADLO C[C@@H](NC(=O)c1ccccc1NC(=O)C[N@H+](C)CC(C)(CO)CO)c1ccccc1 ZINC000770524143 1078883843 /nfs/dbraw/zinc/88/38/43/1078883843.db2.gz NJPMWVHQSXBVGP-QGZVFWFLSA-N 1 2 413.518 2.039 20 0 HEADLO C[C@@H](NC(=O)c1ccccc1NC(=O)C[N@@H+](C)CC(C)(CO)CO)c1ccccc1 ZINC000770524143 1078883845 /nfs/dbraw/zinc/88/38/45/1078883845.db2.gz NJPMWVHQSXBVGP-QGZVFWFLSA-N 1 2 413.518 2.039 20 0 HEADLO Cc1cc(C(N)=O)ccc1NC(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000065455305 1078915733 /nfs/dbraw/zinc/91/57/33/1078915733.db2.gz HPYRROPFLVMNQA-UHFFFAOYSA-N 1 2 412.490 2.127 20 0 HEADLO CC1(C)COCC[N@@H+]1CCNC(=O)[C@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000766380668 1078929966 /nfs/dbraw/zinc/92/99/66/1078929966.db2.gz MTMBJZSMUAOTSX-IBGZPJMESA-N 1 2 403.523 2.262 20 0 HEADLO CC1(C)COCC[N@H+]1CCNC(=O)[C@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000766380668 1078929977 /nfs/dbraw/zinc/92/99/77/1078929977.db2.gz MTMBJZSMUAOTSX-IBGZPJMESA-N 1 2 403.523 2.262 20 0 HEADLO O=C([C@H](O)c1ccccn1)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000804269919 1078941204 /nfs/dbraw/zinc/94/12/04/1078941204.db2.gz FKARVQRSPVGWOA-MRXNPFEDSA-N 1 2 405.252 2.396 20 0 HEADLO O=C([C@H](O)c1cccnc1)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000804269447 1078942237 /nfs/dbraw/zinc/94/22/37/1078942237.db2.gz WUKFVEFWAWCOQV-MRXNPFEDSA-N 1 2 405.252 2.396 20 0 HEADLO O=C(CCN1CCOC1=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000804270456 1078960538 /nfs/dbraw/zinc/96/05/38/1078960538.db2.gz XIHGPCXYFLUYNX-UHFFFAOYSA-N 1 2 411.256 2.110 20 0 HEADLO C[C@H]1[C@H](C)[N@H+](C)CCN1S(=O)(=O)C1CCN(C(=O)OCc2ccccc2)CC1 ZINC000770724391 1078950251 /nfs/dbraw/zinc/95/02/51/1078950251.db2.gz USYAWMALULXANM-IRXDYDNUSA-N 1 2 409.552 2.142 20 0 HEADLO C[C@H]1[C@H](C)[N@@H+](C)CCN1S(=O)(=O)C1CCN(C(=O)OCc2ccccc2)CC1 ZINC000770724391 1078950265 /nfs/dbraw/zinc/95/02/65/1078950265.db2.gz USYAWMALULXANM-IRXDYDNUSA-N 1 2 409.552 2.142 20 0 HEADLO CC(C)(C)OC(=O)N1CCN(C(=O)CNc2[nH+]cnc3c2cnn3C(C)(C)C)CC1 ZINC000766402709 1078954255 /nfs/dbraw/zinc/95/42/55/1078954255.db2.gz PPMSZMKLJBMGDY-UHFFFAOYSA-N 1 2 417.514 2.073 20 0 HEADLO COC(=O)C1=C(C[NH2+][C@H](CO)c2ccsc2)N(C)C(=O)N[C@H]1c1ccccc1 ZINC000770690047 1078959022 /nfs/dbraw/zinc/95/90/22/1078959022.db2.gz VKUFPAUTOHYKAY-QAPCUYQASA-N 1 2 401.488 2.195 20 0 HEADLO CC(C)[C@@H](CNC(=O)CN(C)c1ccc(C(F)(F)F)cc1C=O)[NH+]1CCOCC1 ZINC000746450458 1078975583 /nfs/dbraw/zinc/97/55/83/1078975583.db2.gz UIVQIJVUXDWVSZ-GOSISDBHSA-N 1 2 415.456 2.427 20 0 HEADLO CN(C)S(=O)(=O)c1cnn(C[N@H+](C)CCCc2cc(-c3ccccc3)no2)c1 ZINC000738039314 1078976682 /nfs/dbraw/zinc/97/66/82/1078976682.db2.gz DLRJAJAEGIADPP-UHFFFAOYSA-N 1 2 403.508 2.311 20 0 HEADLO CN(C)S(=O)(=O)c1cnn(C[N@@H+](C)CCCc2cc(-c3ccccc3)no2)c1 ZINC000738039314 1078976699 /nfs/dbraw/zinc/97/66/99/1078976699.db2.gz DLRJAJAEGIADPP-UHFFFAOYSA-N 1 2 403.508 2.311 20 0 HEADLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)C(=O)Nc3cnn(C)c3C3CC3)CC2)c1 ZINC000770739143 1078997629 /nfs/dbraw/zinc/99/76/29/1078997629.db2.gz RQBTYQCZULBWML-HNNXBMFYSA-N 1 2 411.506 2.150 20 0 HEADLO Cc1ccn(CC(=O)N2CC[NH+](Cc3ccc(OC(F)(F)F)cc3)CC2)c(=O)c1 ZINC000770823179 1079032732 /nfs/dbraw/zinc/03/27/32/1079032732.db2.gz HGDUMGZDUVIHRG-UHFFFAOYSA-N 1 2 409.408 2.400 20 0 HEADLO CC[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(=O)Nc1ccccc1F ZINC001109737182 1079054191 /nfs/dbraw/zinc/05/41/91/1079054191.db2.gz ZRBOBSCMNQFTAP-QVXTZCDOSA-N 1 2 402.470 2.241 20 0 HEADLO CC[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(=O)Nc1ccccc1F ZINC001109737182 1079054195 /nfs/dbraw/zinc/05/41/95/1079054195.db2.gz ZRBOBSCMNQFTAP-QVXTZCDOSA-N 1 2 402.470 2.241 20 0 HEADLO C[C@@H]1C[C@H]([N@@H+]2CCc3onc(COCC(=O)N(C)C)c3C2)CN1C(=O)OC(C)(C)C ZINC001168849700 1079061040 /nfs/dbraw/zinc/06/10/40/1079061040.db2.gz LHFKRTNXGGLCPL-CABCVRRESA-N 1 2 422.526 2.035 20 0 HEADLO C[C@@H]1C[C@H]([N@H+]2CCc3onc(COCC(=O)N(C)C)c3C2)CN1C(=O)OC(C)(C)C ZINC001168849700 1079061042 /nfs/dbraw/zinc/06/10/42/1079061042.db2.gz LHFKRTNXGGLCPL-CABCVRRESA-N 1 2 422.526 2.035 20 0 HEADLO C[C@H]1C[C@H]([N@@H+]2CCc3onc(COCC(=O)N(C)C)c3C2)CN1C(=O)OC(C)(C)C ZINC001168849701 1079061165 /nfs/dbraw/zinc/06/11/65/1079061165.db2.gz LHFKRTNXGGLCPL-GJZGRUSLSA-N 1 2 422.526 2.035 20 0 HEADLO C[C@H]1C[C@H]([N@H+]2CCc3onc(COCC(=O)N(C)C)c3C2)CN1C(=O)OC(C)(C)C ZINC001168849701 1079061169 /nfs/dbraw/zinc/06/11/69/1079061169.db2.gz LHFKRTNXGGLCPL-GJZGRUSLSA-N 1 2 422.526 2.035 20 0 HEADLO O=C(CCS(=O)(=O)c1ccc2c(c1)OCCCO2)OCc1cccc2[nH+]ccn21 ZINC000770926747 1079083516 /nfs/dbraw/zinc/08/35/16/1079083516.db2.gz RWMDJWPULWXUEN-UHFFFAOYSA-N 1 2 416.455 2.403 20 0 HEADLO C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N1CCO[C@@H](C[NH+]2CCOCC2)C1 ZINC001169004531 1079097745 /nfs/dbraw/zinc/09/77/45/1079097745.db2.gz ZECIDBQSJXCSOB-QAPCUYQASA-N 1 2 400.441 2.444 20 0 HEADLO C[C@@H](c1nc(CC(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)no1)[NH+](C)C ZINC000771062361 1079121239 /nfs/dbraw/zinc/12/12/39/1079121239.db2.gz UMURUWGHCCRSEA-AWEZNQCLSA-N 1 2 421.523 2.048 20 0 HEADLO O=C(NCC[NH+]1CCN(c2cccc(Cl)c2)CC1)c1ccnc(-n2ccnc2)c1 ZINC000766582083 1079132069 /nfs/dbraw/zinc/13/20/69/1079132069.db2.gz OJWIZVWCCIEECU-UHFFFAOYSA-N 1 2 410.909 2.473 20 0 HEADLO CCCS(=O)(=O)N1CCCC[C@H]1C(=O)NCCn1c[nH+]cc1-c1ccccc1 ZINC001169159989 1079169159 /nfs/dbraw/zinc/16/91/59/1079169159.db2.gz ZPDMZQNHJBZMQI-SFHVURJKSA-N 1 2 404.536 2.261 20 0 HEADLO O=C(CC1(C(=O)NCCn2c[nH+]cc2-c2ccccc2)CCCC1)N1CCOCC1 ZINC001169158265 1079168410 /nfs/dbraw/zinc/16/84/10/1079168410.db2.gz FNWGBGPVILMLFK-UHFFFAOYSA-N 1 2 410.518 2.476 20 0 HEADLO CCOC(=O)c1[nH]c(C)c(S(=O)(=O)Nc2ccccc2N2CC[NH+](C)CC2)c1C ZINC000771131935 1079184315 /nfs/dbraw/zinc/18/43/15/1079184315.db2.gz BMYVDCFFNFZOBD-UHFFFAOYSA-N 1 2 420.535 2.361 20 0 HEADLO Cc1c(C(=O)OCC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)cnn1C(C)C ZINC000771177587 1079211053 /nfs/dbraw/zinc/21/10/53/1079211053.db2.gz GXVVKRRISOZIBN-UHFFFAOYSA-N 1 2 400.479 2.400 20 0 HEADLO O=C(NCc1cc[nH+]c(N2CCSCC2)c1)c1cc(Cl)ccc1-n1cnnn1 ZINC001169223957 1079202055 /nfs/dbraw/zinc/20/20/55/1079202055.db2.gz CQFZTFPIWXMFRZ-UHFFFAOYSA-N 1 2 415.910 2.194 20 0 HEADLO O=C(NCc1cc[nH+]c(N2CCSCC2)c1)c1cnc2c(c1)NC(=O)CS2 ZINC001169225123 1079202785 /nfs/dbraw/zinc/20/27/85/1079202785.db2.gz JKJHRQMZZLWCCU-UHFFFAOYSA-N 1 2 401.517 2.004 20 0 HEADLO O=C(c1cc(I)ccc1O)N1CC[NH2+][C@H](c2ccc(O)cc2)C1 ZINC001169239482 1079208609 /nfs/dbraw/zinc/20/86/09/1079208609.db2.gz JMCODSGXIKXIRE-HNNXBMFYSA-N 1 2 424.238 2.489 20 0 HEADLO CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000771175188 1079209992 /nfs/dbraw/zinc/20/99/92/1079209992.db2.gz MWALMDFIXQXACM-RTBURBONSA-N 1 2 405.539 2.349 20 0 HEADLO CCOC(=O)[C@@H]1CC[C@@H]([N@H+]2Cc3c(cnn3CC)[C@@H](COc3cccnc3)C2)CO1 ZINC001169384586 1079257145 /nfs/dbraw/zinc/25/71/45/1079257145.db2.gz GEFZTBAOBKXDJR-LZJOCLMNSA-N 1 2 414.506 2.387 20 0 HEADLO CCOC(=O)[C@@H]1CC[C@@H]([N@@H+]2Cc3c(cnn3CC)[C@@H](COc3cccnc3)C2)CO1 ZINC001169384586 1079257152 /nfs/dbraw/zinc/25/71/52/1079257152.db2.gz GEFZTBAOBKXDJR-LZJOCLMNSA-N 1 2 414.506 2.387 20 0 HEADLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)CCNS(=O)(=O)/C=C\c1ccccc1 ZINC000771293653 1079267802 /nfs/dbraw/zinc/26/78/02/1079267802.db2.gz AOWJUWJHAVCMNB-RXEWJAMOSA-N 1 2 404.536 2.394 20 0 HEADLO O=C(OCc1ccccc1)[C@@H]1CCC[NH2+][C@@H](Nc2nccc(N3CCOCC3)n2)C1 ZINC001169503979 1079316048 /nfs/dbraw/zinc/31/60/48/1079316048.db2.gz MHBLCSXUOQDRKA-MOPGFXCFSA-N 1 2 411.506 2.184 20 0 HEADLO C[C@@H]1[C@H](C)N(C(=O)c2ccc3c(c2)[nH]c(=S)n(Cc2ccco2)c3=O)CC[N@H+]1C ZINC000771397572 1079321952 /nfs/dbraw/zinc/32/19/52/1079321952.db2.gz RMTAXVNHLLJXHE-KGLIPLIRSA-N 1 2 412.515 2.491 20 0 HEADLO C[C@@H]1[C@H](C)N(C(=O)c2ccc3c(c2)[nH]c(=S)n(Cc2ccco2)c3=O)CC[N@@H+]1C ZINC000771397572 1079321957 /nfs/dbraw/zinc/32/19/57/1079321957.db2.gz RMTAXVNHLLJXHE-KGLIPLIRSA-N 1 2 412.515 2.491 20 0 HEADLO CC(C)(C)OC(=O)N1CC[C@@H]([C@H](F)C(=O)N2CC[NH+](CCc3ccncc3)CC2)C1 ZINC001169679235 1079365360 /nfs/dbraw/zinc/36/53/60/1079365360.db2.gz PSFWQGJPUMKTRA-MOPGFXCFSA-N 1 2 420.529 2.363 20 0 HEADLO CC(C)(C)OC(=O)N1CCC[C@H](n2cc(C(=O)N[C@@H]3CCc4c[nH+]cn4C3)cn2)C1 ZINC000804334408 1079376619 /nfs/dbraw/zinc/37/66/19/1079376619.db2.gz GAOKPILDOKCSOY-AEFFLSMTSA-N 1 2 414.510 2.396 20 0 HEADLO CC(C)(C)NS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H]2CCc3c[nH+]cn3C2)c1 ZINC000804336140 1079380396 /nfs/dbraw/zinc/38/03/96/1079380396.db2.gz KPRGRDHSSLHMSF-GFCCVEGCSA-N 1 2 410.927 2.358 20 0 HEADLO Cc1ccc(N2N=C(Br)C[C@H]2C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000771557998 1079384874 /nfs/dbraw/zinc/38/48/74/1079384874.db2.gz AZXNXHHRTFGOMC-IRXDYDNUSA-N 1 2 421.339 2.215 20 0 HEADLO CC[C@H](c1nnc(Sc2ncc(SC)cn2)n1CCN1CCOCC1)[NH+](C)C ZINC000804337692 1079389749 /nfs/dbraw/zinc/38/97/49/1079389749.db2.gz KBEBAROVIGQUGT-OAHLLOKOSA-N 1 2 423.612 2.286 20 0 HEADLO NC(=O)c1cc(OC2CC[NH+](CN3C(=O)OC[C@@H]3Cc3ccccc3)CC2)ccn1 ZINC000771619961 1079403445 /nfs/dbraw/zinc/40/34/45/1079403445.db2.gz MZDWKZXBLHXVOC-KRWDZBQOSA-N 1 2 410.474 2.045 20 0 HEADLO CCC[C@H]1CN(S(=O)(=O)c2c(Cl)nc3ccccn32)CC[N@@H+]1CCOC ZINC000766848862 1079449595 /nfs/dbraw/zinc/44/95/95/1079449595.db2.gz DLKGVSVEJOKRCC-AWEZNQCLSA-N 1 2 400.932 2.109 20 0 HEADLO CCC[C@H]1CN(S(=O)(=O)c2c(Cl)nc3ccccn32)CC[N@H+]1CCOC ZINC000766848862 1079449604 /nfs/dbraw/zinc/44/96/04/1079449604.db2.gz DLKGVSVEJOKRCC-AWEZNQCLSA-N 1 2 400.932 2.109 20 0 HEADLO CS(=O)(=O)C1CCC([N@@H+]2CCCn3cnc(COc4cccnc4)c3C2)CC1 ZINC001169886042 1079458985 /nfs/dbraw/zinc/45/89/85/1079458985.db2.gz YUZVMZDYEPGRSU-UHFFFAOYSA-N 1 2 404.536 2.419 20 0 HEADLO CS(=O)(=O)C1CCC([N@H+]2CCCn3cnc(COc4cccnc4)c3C2)CC1 ZINC001169886042 1079458991 /nfs/dbraw/zinc/45/89/91/1079458991.db2.gz YUZVMZDYEPGRSU-UHFFFAOYSA-N 1 2 404.536 2.419 20 0 HEADLO CN(CCOc1ccc(Br)cc1)C(=O)CO[NH+]=C(N)Cc1cccnc1 ZINC000771674800 1079462125 /nfs/dbraw/zinc/46/21/25/1079462125.db2.gz VWFGVPUXGBTHCE-UHFFFAOYSA-N 1 2 421.295 2.422 20 0 HEADLO O=C(C[N@@H+]1CCC[C@H](c2n[nH]c(=O)o2)C1)NCc1cccc(OCC(F)(F)F)c1 ZINC001169864771 1079462254 /nfs/dbraw/zinc/46/22/54/1079462254.db2.gz UJMHUAVPZZIJPY-ZDUSSCGKSA-N 1 2 414.384 2.212 20 0 HEADLO O=C(C[N@H+]1CCC[C@H](c2n[nH]c(=O)o2)C1)NCc1cccc(OCC(F)(F)F)c1 ZINC001169864771 1079462265 /nfs/dbraw/zinc/46/22/65/1079462265.db2.gz UJMHUAVPZZIJPY-ZDUSSCGKSA-N 1 2 414.384 2.212 20 0 HEADLO CCCN(CC(=O)N1CC[NH+](Cc2ccc(OC)cc2)CC1)[C@@H](C)C(=O)OCC ZINC001169933809 1079479698 /nfs/dbraw/zinc/47/96/98/1079479698.db2.gz RSWSRHTZCJMHPQ-SFHVURJKSA-N 1 2 405.539 2.003 20 0 HEADLO C[C@H]1C[N@H+](CCNC(=O)[C@H](NC(=O)OCc2ccccc2)c2ccccc2)CCO1 ZINC000737827432 1075933985 /nfs/dbraw/zinc/93/39/85/1075933985.db2.gz SJNJVJUSJLYTHQ-GHTZIAJQSA-N 1 2 411.502 2.491 20 0 HEADLO C[C@H]1C[N@@H+](CCNC(=O)[C@H](NC(=O)OCc2ccccc2)c2ccccc2)CCO1 ZINC000737827432 1075933991 /nfs/dbraw/zinc/93/39/91/1075933991.db2.gz SJNJVJUSJLYTHQ-GHTZIAJQSA-N 1 2 411.502 2.491 20 0 HEADLO C[C@H]1C[N@H+](CCNC(=O)[C@@H](NC(=O)OCc2ccccc2)c2ccccc2)CCO1 ZINC000737827435 1075934046 /nfs/dbraw/zinc/93/40/46/1075934046.db2.gz SJNJVJUSJLYTHQ-RXVVDRJESA-N 1 2 411.502 2.491 20 0 HEADLO C[C@H]1C[N@@H+](CCNC(=O)[C@@H](NC(=O)OCc2ccccc2)c2ccccc2)CCO1 ZINC000737827435 1075934057 /nfs/dbraw/zinc/93/40/57/1075934057.db2.gz SJNJVJUSJLYTHQ-RXVVDRJESA-N 1 2 411.502 2.491 20 0 HEADLO CCOC(=O)c1ccc(N2CCC[N@H+](CN3C(=O)CC4(CCCC4)C3=O)CC2)nc1 ZINC000738110243 1075965694 /nfs/dbraw/zinc/96/56/94/1075965694.db2.gz MSULGDJBRHIWEA-UHFFFAOYSA-N 1 2 414.506 2.047 20 0 HEADLO CCOC(=O)c1ccc(N2CCC[N@@H+](CN3C(=O)CC4(CCCC4)C3=O)CC2)nc1 ZINC000738110243 1075965705 /nfs/dbraw/zinc/96/57/05/1075965705.db2.gz MSULGDJBRHIWEA-UHFFFAOYSA-N 1 2 414.506 2.047 20 0 HEADLO COC(=O)c1cn(C[NH+]2CCC(C(=O)Nc3cccc(Br)c3)CC2)nn1 ZINC000738117652 1075967713 /nfs/dbraw/zinc/96/77/13/1075967713.db2.gz UUZXBHYCDQJCNV-UHFFFAOYSA-N 1 2 422.283 2.135 20 0 HEADLO NC(=O)CCn1c(-c2ccco2)nn(CN2CCC[C@H](n3cc[nH+]c3)C2)c1=S ZINC000738157098 1075970325 /nfs/dbraw/zinc/97/03/25/1075970325.db2.gz GRLRQBJCVAAQPI-AWEZNQCLSA-N 1 2 401.496 2.041 20 0 HEADLO CC(C)Cn1c(=S)n(CN2CCC[C@@H](n3cc[nH+]c3)C2)nc1N1CCOCC1 ZINC000738159050 1075970411 /nfs/dbraw/zinc/97/04/11/1075970411.db2.gz QKUNPTKSOIOWBB-QGZVFWFLSA-N 1 2 405.572 2.398 20 0 HEADLO c1csc(-c2ccn(CN3CCN(c4cc(N5CCOCC5)[nH+]cn4)CC3)n2)c1 ZINC000738289307 1075985022 /nfs/dbraw/zinc/98/50/22/1075985022.db2.gz NEDGTXPACXLPEI-UHFFFAOYSA-N 1 2 411.535 2.018 20 0 HEADLO C[C@H](CNS(=O)(=O)/C=C\c1ccc(Br)cc1)C[NH+]1CCOCC1 ZINC000738413114 1075995270 /nfs/dbraw/zinc/99/52/70/1075995270.db2.gz LZCIWIUKCOMWMZ-RQWJFSOLSA-N 1 2 403.342 2.308 20 0 HEADLO C[C@@H](CNS(=O)(=O)/C=C/c1ccccc1Br)C[NH+]1CCOCC1 ZINC000738412603 1075995528 /nfs/dbraw/zinc/99/55/28/1075995528.db2.gz GRJGAZOQGFEFHC-MUAYPFOZSA-N 1 2 403.342 2.308 20 0 HEADLO C[C@@H](CNS(=O)(=O)C1=Cc2ccc(OC(F)F)cc2CC1)C[NH+]1CCOCC1 ZINC000738413418 1075995632 /nfs/dbraw/zinc/99/56/32/1075995632.db2.gz VRVQYCCQKBZBAP-AWEZNQCLSA-N 1 2 416.490 2.463 20 0 HEADLO Clc1cc(CN2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)cc(Cl)n1 ZINC000738343955 1075996436 /nfs/dbraw/zinc/99/64/36/1075996436.db2.gz UCPFRUFTCHSXNE-UHFFFAOYSA-N 1 2 409.321 2.337 20 0 HEADLO O=S(=O)(c1cccnc1Cl)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000738364159 1075998254 /nfs/dbraw/zinc/99/82/54/1075998254.db2.gz MNJJMVWHZAZZND-UHFFFAOYSA-N 1 2 401.838 2.010 20 0 HEADLO O=C(NC1CCCCCCC1)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000738450607 1076003077 /nfs/dbraw/zinc/00/30/77/1076003077.db2.gz OCHYDNIOZYMCSJ-UHFFFAOYSA-N 1 2 402.543 2.258 20 0 HEADLO O=C(NC1CCCCCCC1)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000738450607 1076003083 /nfs/dbraw/zinc/00/30/83/1076003083.db2.gz OCHYDNIOZYMCSJ-UHFFFAOYSA-N 1 2 402.543 2.258 20 0 HEADLO Cc1cn2cc(NC(=O)NCC3CCN(S(=O)(=O)C(F)F)CC3)ccc2[nH+]1 ZINC000738919192 1076029215 /nfs/dbraw/zinc/02/92/15/1076029215.db2.gz HLUBUZJUFHSFES-UHFFFAOYSA-N 1 2 401.439 2.029 20 0 HEADLO CC(C)(NC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)c1cccc(Cl)c1 ZINC000739006419 1076030315 /nfs/dbraw/zinc/03/03/15/1076030315.db2.gz XTOFRXFMOCJUQR-UHFFFAOYSA-N 1 2 401.960 2.383 20 0 HEADLO COc1c(C)c[nH+]c(CNC(=O)C(=O)Nc2ccc(N3CCOC[C@@H]3C)cc2)c1C ZINC000739079670 1076039238 /nfs/dbraw/zinc/03/92/38/1076039238.db2.gz HINSSVXGEBWBNP-HNNXBMFYSA-N 1 2 412.490 2.187 20 0 HEADLO OC[C@@H]1CCCN(c2cc(NC[C@H](O)c3cc(Cl)c4c(c3)OCCO4)[nH+]cn2)C1 ZINC000739900503 1076086226 /nfs/dbraw/zinc/08/62/26/1076086226.db2.gz DCLZYPSOAOJOBP-CJNGLKHVSA-N 1 2 420.897 2.255 20 0 HEADLO OC[C@@H]1CCCN(c2cc(NC[C@H](O)c3cc(Cl)c4c(c3)OCCO4)nc[nH+]2)C1 ZINC000739900503 1076086235 /nfs/dbraw/zinc/08/62/35/1076086235.db2.gz DCLZYPSOAOJOBP-CJNGLKHVSA-N 1 2 420.897 2.255 20 0 HEADLO C[C@@](O)(CNC(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1)c1cccs1 ZINC000740478076 1076185608 /nfs/dbraw/zinc/18/56/08/1076185608.db2.gz BFRNLYVDWXRJHB-WIYYLYMNSA-N 1 2 403.548 2.198 20 0 HEADLO C[C@H](c1cccc(NC(=O)C(=O)NC[C@](C)(O)c2cccs2)c1)[NH+]1CCOCC1 ZINC000740524416 1076205633 /nfs/dbraw/zinc/20/56/33/1076205633.db2.gz ZKXHPXJPDYYSRL-VFNWGFHPSA-N 1 2 417.531 2.104 20 0 HEADLO C[C@@H](CNC(=O)C1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1)Cn1cc[nH+]c1 ZINC000740727558 1076217575 /nfs/dbraw/zinc/21/75/75/1076217575.db2.gz SUPRDRDEBPOLMW-WAFIBAPDSA-N 1 2 416.547 2.348 20 0 HEADLO C[C@@H](C(=O)Nc1sccc1C(N)=O)[N@@H+]1CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000740881648 1076280370 /nfs/dbraw/zinc/28/03/70/1076280370.db2.gz AMXUWIMPDNYDLF-DYEKYZERSA-N 1 2 410.540 2.409 20 0 HEADLO C[C@@H](C(=O)Nc1sccc1C(N)=O)[N@H+]1CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000740881648 1076280378 /nfs/dbraw/zinc/28/03/78/1076280378.db2.gz AMXUWIMPDNYDLF-DYEKYZERSA-N 1 2 410.540 2.409 20 0 HEADLO O=C1OCCN1c1ccc(S(=O)(=O)NCc2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC000740889965 1076290751 /nfs/dbraw/zinc/29/07/51/1076290751.db2.gz PHSJXKKVZGAIJW-UHFFFAOYSA-N 1 2 412.471 2.367 20 0 HEADLO O=C(NCc1ccccc1C[NH+]1CCOCC1)NC[C@H](O)c1c(F)cccc1F ZINC000740903453 1076297349 /nfs/dbraw/zinc/29/73/49/1076297349.db2.gz OVFUQVQYVDZMDP-IBGZPJMESA-N 1 2 405.445 2.330 20 0 HEADLO CC[N@H+](C)[C@H](C(=O)OCc1nnc2n1c1ccccc1c(=O)n2C)c1ccccc1 ZINC000741151057 1076392995 /nfs/dbraw/zinc/39/29/95/1076392995.db2.gz UDYWODANWZKRPO-IBGZPJMESA-N 1 2 405.458 2.317 20 0 HEADLO CC[N@@H+](C)[C@H](C(=O)OCc1nnc2n1c1ccccc1c(=O)n2C)c1ccccc1 ZINC000741151057 1076392998 /nfs/dbraw/zinc/39/29/98/1076392998.db2.gz UDYWODANWZKRPO-IBGZPJMESA-N 1 2 405.458 2.317 20 0 HEADLO CC[N@H+](C)[C@H](C(=O)OCC(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O)c1ccccc1 ZINC000741151105 1076393308 /nfs/dbraw/zinc/39/33/08/1076393308.db2.gz VVWIBWBLQROOJF-IBGZPJMESA-N 1 2 409.442 2.087 20 0 HEADLO CC[N@@H+](C)[C@H](C(=O)OCC(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O)c1ccccc1 ZINC000741151105 1076393310 /nfs/dbraw/zinc/39/33/10/1076393310.db2.gz VVWIBWBLQROOJF-IBGZPJMESA-N 1 2 409.442 2.087 20 0 HEADLO O=C(COC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)NC(=O)Nc1ccccc1 ZINC000741358021 1076483409 /nfs/dbraw/zinc/48/34/09/1076483409.db2.gz WRLFPNZAIIHCGJ-LJQANCHMSA-N 1 2 411.458 2.169 20 0 HEADLO O=C(COC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)NC(=O)Nc1ccccc1 ZINC000741358021 1076483419 /nfs/dbraw/zinc/48/34/19/1076483419.db2.gz WRLFPNZAIIHCGJ-LJQANCHMSA-N 1 2 411.458 2.169 20 0 HEADLO O=C(COC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)NCc1ccccc1F ZINC000741346815 1076489496 /nfs/dbraw/zinc/48/94/96/1076489496.db2.gz MHXFZLKIBRIGLZ-LJQANCHMSA-N 1 2 400.450 2.276 20 0 HEADLO O=C(COC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)NCc1ccccc1F ZINC000741346815 1076489499 /nfs/dbraw/zinc/48/94/99/1076489499.db2.gz MHXFZLKIBRIGLZ-LJQANCHMSA-N 1 2 400.450 2.276 20 0 HEADLO Cc1cccn2c(=O)cc(COC(=O)C[C@H]3C[N@H+](Cc4ccccc4)CCO3)nc12 ZINC000741353942 1076493163 /nfs/dbraw/zinc/49/31/63/1076493163.db2.gz KYWDCZMHPYTOIB-FQEVSTJZSA-N 1 2 407.470 2.337 20 0 HEADLO Cc1cccn2c(=O)cc(COC(=O)C[C@H]3C[N@@H+](Cc4ccccc4)CCO3)nc12 ZINC000741353942 1076493164 /nfs/dbraw/zinc/49/31/64/1076493164.db2.gz KYWDCZMHPYTOIB-FQEVSTJZSA-N 1 2 407.470 2.337 20 0 HEADLO O=C(C[C@H]1C[N@H+](Cc2ccccc2)CCO1)OCC(=O)N1CCc2sccc2C1 ZINC000741354238 1076493627 /nfs/dbraw/zinc/49/36/27/1076493627.db2.gz NAPKUJAEHUSFCX-IBGZPJMESA-N 1 2 414.527 2.467 20 0 HEADLO O=C(C[C@H]1C[N@@H+](Cc2ccccc2)CCO1)OCC(=O)N1CCc2sccc2C1 ZINC000741354238 1076493631 /nfs/dbraw/zinc/49/36/31/1076493631.db2.gz NAPKUJAEHUSFCX-IBGZPJMESA-N 1 2 414.527 2.467 20 0 HEADLO Cc1ccc2nc(COC(=O)C[C@@H]3C[N@H+](Cc4ccccc4)CCO3)cc(=O)n2c1 ZINC000741355945 1076494170 /nfs/dbraw/zinc/49/41/70/1076494170.db2.gz PXHUDZAPPHRHDA-HXUWFJFHSA-N 1 2 407.470 2.337 20 0 HEADLO Cc1ccc2nc(COC(=O)C[C@@H]3C[N@@H+](Cc4ccccc4)CCO3)cc(=O)n2c1 ZINC000741355945 1076494175 /nfs/dbraw/zinc/49/41/75/1076494175.db2.gz PXHUDZAPPHRHDA-HXUWFJFHSA-N 1 2 407.470 2.337 20 0 HEADLO O=C(COC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1)NC1C2CC3CC(C2)CC1C3 ZINC000741385888 1076509262 /nfs/dbraw/zinc/50/92/62/1076509262.db2.gz JFECIWCLUPXOCG-GJBGWGSXSA-N 1 2 412.530 2.372 20 0 HEADLO O=C(COC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1)NC1C2CC3CC(C2)CC1C3 ZINC000741385888 1076509267 /nfs/dbraw/zinc/50/92/67/1076509267.db2.gz JFECIWCLUPXOCG-GJBGWGSXSA-N 1 2 412.530 2.372 20 0 HEADLO CC(=O)Nc1cccc(NC(=O)COC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)c1 ZINC000741385830 1076509326 /nfs/dbraw/zinc/50/93/26/1076509326.db2.gz IINMHYGGIVXGIC-HXUWFJFHSA-N 1 2 411.458 2.028 20 0 HEADLO CC(=O)Nc1cccc(NC(=O)COC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c1 ZINC000741385830 1076509337 /nfs/dbraw/zinc/50/93/37/1076509337.db2.gz IINMHYGGIVXGIC-HXUWFJFHSA-N 1 2 411.458 2.028 20 0 HEADLO C[C@H](C(=O)Nc1ccc(N2CCOCC2)cc1)[NH+]1CCN(c2cccc(O)c2)CC1 ZINC000741695122 1076582063 /nfs/dbraw/zinc/58/20/63/1076582063.db2.gz BFHYFAZCGLMGQA-GOSISDBHSA-N 1 2 410.518 2.378 20 0 HEADLO C[C@H](C(=O)Nc1sccc1C(N)=O)[NH+]1CCC(C(=O)Nc2ccccc2O)CC1 ZINC000741723555 1076593957 /nfs/dbraw/zinc/59/39/57/1076593957.db2.gz BOKMKRMZEZWDLO-GFCCVEGCSA-N 1 2 416.503 2.230 20 0 HEADLO COC(=O)c1ccc(OC[C@@H](O)C[N@@H+]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)cc1 ZINC000741803376 1076642049 /nfs/dbraw/zinc/64/20/49/1076642049.db2.gz AGFRTYPCFPOWIG-RDJZCZTQSA-N 1 2 408.495 2.154 20 0 HEADLO COC(=O)c1ccc(OC[C@@H](O)C[N@H+]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)cc1 ZINC000741803376 1076642055 /nfs/dbraw/zinc/64/20/55/1076642055.db2.gz AGFRTYPCFPOWIG-RDJZCZTQSA-N 1 2 408.495 2.154 20 0 HEADLO C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000741803552 1076642092 /nfs/dbraw/zinc/64/20/92/1076642092.db2.gz FIDRDPFJJKUYGB-ROUUACIJSA-N 1 2 417.554 2.060 20 0 HEADLO COc1c(C)c[nH+]c(CNC(=O)[C@@H](C)NC(=O)c2cc3c(C)nn(C)c3s2)c1C ZINC000742059925 1076731537 /nfs/dbraw/zinc/73/15/37/1076731537.db2.gz QWEKDIQWKMUIJP-CYBMUJFWSA-N 1 2 415.519 2.398 20 0 HEADLO CN(C)c1ccc([NH+]2CCC(NC(=O)c3ccc(N4CCOCC4)nc3)CC2)cc1 ZINC000742112535 1076745813 /nfs/dbraw/zinc/74/58/13/1076745813.db2.gz CQSCZKYTFZUGRQ-UHFFFAOYSA-N 1 2 409.534 2.383 20 0 HEADLO CNS(=O)(=O)c1cccc(C(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)c1 ZINC000742114843 1076746356 /nfs/dbraw/zinc/74/63/56/1076746356.db2.gz ZTBHWMGPKOIXAP-UHFFFAOYSA-N 1 2 416.547 2.060 20 0 HEADLO Cn1cc(C[NH+]2CCN(Cn3[nH]c(-c4cc(F)cc(F)c4)nc3=S)CC2)cn1 ZINC000742147132 1076751694 /nfs/dbraw/zinc/75/16/94/1076751694.db2.gz BSSSODLMNARFPQ-UHFFFAOYSA-N 1 2 405.478 2.395 20 0 HEADLO CC[C@@H](c1ccc(F)cc1F)[NH+]1CCN(Cn2nc(C(=O)OC)ccc2=O)CC1 ZINC000742171977 1076763362 /nfs/dbraw/zinc/76/33/62/1076763362.db2.gz KIADKBAXEALDGR-SFHVURJKSA-N 1 2 406.433 2.035 20 0 HEADLO C[N@H+](CC(F)F)C1CCN(C(=O)CCCOc2ccc(S(C)(=O)=O)cc2)CC1 ZINC000742236959 1076803007 /nfs/dbraw/zinc/80/30/07/1076803007.db2.gz BRVUNOVKMYEWJX-UHFFFAOYSA-N 1 2 418.506 2.437 20 0 HEADLO C[N@@H+](CC(F)F)C1CCN(C(=O)CCCOc2ccc(S(C)(=O)=O)cc2)CC1 ZINC000742236959 1076803010 /nfs/dbraw/zinc/80/30/10/1076803010.db2.gz BRVUNOVKMYEWJX-UHFFFAOYSA-N 1 2 418.506 2.437 20 0 HEADLO Cc1nnnn1[C@@H](Cc1cccc(F)c1)C(=O)N1CCC([N@H+](C)CC(F)F)CC1 ZINC000742236936 1076803072 /nfs/dbraw/zinc/80/30/72/1076803072.db2.gz CEIRLDCSYBYRID-KRWDZBQOSA-N 1 2 410.444 2.092 20 0 HEADLO Cc1nnnn1[C@@H](Cc1cccc(F)c1)C(=O)N1CCC([N@@H+](C)CC(F)F)CC1 ZINC000742236936 1076803073 /nfs/dbraw/zinc/80/30/73/1076803073.db2.gz CEIRLDCSYBYRID-KRWDZBQOSA-N 1 2 410.444 2.092 20 0 HEADLO CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC([N@H+](C)CC(F)F)CC1 ZINC000742236601 1076803273 /nfs/dbraw/zinc/80/32/73/1076803273.db2.gz CUQWOTGQVQRZRD-LJQANCHMSA-N 1 2 406.477 2.403 20 0 HEADLO CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC([N@@H+](C)CC(F)F)CC1 ZINC000742236601 1076803276 /nfs/dbraw/zinc/80/32/76/1076803276.db2.gz CUQWOTGQVQRZRD-LJQANCHMSA-N 1 2 406.477 2.403 20 0 HEADLO C[N@H+](CC(F)F)C1CCN(C(=O)[C@@H]2CCCN2C(=O)OCC(F)(F)F)CC1 ZINC000742239664 1076803834 /nfs/dbraw/zinc/80/38/34/1076803834.db2.gz XDBOGEYLMSNFIH-LBPRGKRZSA-N 1 2 401.376 2.338 20 0 HEADLO C[N@@H+](CC(F)F)C1CCN(C(=O)[C@@H]2CCCN2C(=O)OCC(F)(F)F)CC1 ZINC000742239664 1076803836 /nfs/dbraw/zinc/80/38/36/1076803836.db2.gz XDBOGEYLMSNFIH-LBPRGKRZSA-N 1 2 401.376 2.338 20 0 HEADLO CN(CC1CCCCC1)C(=O)CON=C(N)c1cccc(C[NH+]2CCOCC2)c1 ZINC000742357369 1076830459 /nfs/dbraw/zinc/83/04/59/1076830459.db2.gz VSXRPYLIUNFRHI-UHFFFAOYSA-N 1 2 402.539 2.404 20 0 HEADLO Cc1[nH]c(-c2cccc(NC(=O)c3ccc(S(=O)(=O)CC(N)=O)cc3)c2)[nH+]c1C ZINC000742579146 1076853067 /nfs/dbraw/zinc/85/30/67/1076853067.db2.gz VAOFVIYXXAICME-UHFFFAOYSA-N 1 2 412.471 2.205 20 0 HEADLO C[NH+](C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)C[C@@H]1SC(=N)NC1=O ZINC000742592651 1076853213 /nfs/dbraw/zinc/85/32/13/1076853213.db2.gz DVDWKVBEFPPMLO-ZDUSSCGKSA-N 1 2 402.442 2.152 20 0 HEADLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)c1ccc(NC(=O)OCC(F)(F)F)cc1 ZINC000742646012 1076857440 /nfs/dbraw/zinc/85/74/40/1076857440.db2.gz CNUQIFUCGPHADU-ZDUSSCGKSA-N 1 2 402.417 2.163 20 0 HEADLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)[C@H](CNC(=O)OC(C)(C)C)c1ccccc1 ZINC000742646862 1076857613 /nfs/dbraw/zinc/85/76/13/1076857613.db2.gz UGHQVYOBEIVXTD-IEBWSBKVSA-N 1 2 404.555 2.047 20 0 HEADLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)[C@@H](CNC(=O)OC(C)(C)C)c1ccccc1 ZINC000742646863 1076857638 /nfs/dbraw/zinc/85/76/38/1076857638.db2.gz UGHQVYOBEIVXTD-MJGOQNOKSA-N 1 2 404.555 2.047 20 0 HEADLO C[C@@H]1C[N@@H+](C[C@H]2CCCN2S(=O)(=O)c2ccc3oc(=O)ccc3c2)C[C@H](C)O1 ZINC000742632686 1076859468 /nfs/dbraw/zinc/85/94/68/1076859468.db2.gz KAOLKVQDWTXWAB-HLLBOEOZSA-N 1 2 406.504 2.055 20 0 HEADLO C[C@@H]1C[N@H+](C[C@H]2CCCN2S(=O)(=O)c2ccc3oc(=O)ccc3c2)C[C@H](C)O1 ZINC000742632686 1076859469 /nfs/dbraw/zinc/85/94/69/1076859469.db2.gz KAOLKVQDWTXWAB-HLLBOEOZSA-N 1 2 406.504 2.055 20 0 HEADLO CN(C)c1ccc([NH+]2CCC(NC(=O)c3cn(Cc4ccccn4)nn3)CC2)cc1 ZINC000742709119 1076865822 /nfs/dbraw/zinc/86/58/22/1076865822.db2.gz WRAORWTXNIRWRW-UHFFFAOYSA-N 1 2 405.506 2.186 20 0 HEADLO S=C(Nc1ccc2c(c1)CCC2)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000737465896 1076877082 /nfs/dbraw/zinc/87/70/82/1076877082.db2.gz YLLKWOBFEQXVIK-UHFFFAOYSA-N 1 2 424.574 2.321 20 0 HEADLO S=C(Nc1ccc2c(c1)CCC2)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000737465896 1076877087 /nfs/dbraw/zinc/87/70/87/1076877087.db2.gz YLLKWOBFEQXVIK-UHFFFAOYSA-N 1 2 424.574 2.321 20 0 HEADLO O=C(Nc1ccc(S(=O)(=O)C(F)F)cc1)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000743075113 1076944675 /nfs/dbraw/zinc/94/46/75/1076944675.db2.gz YWLYYDUEKFBRSK-HNNXBMFYSA-N 1 2 417.478 2.402 20 0 HEADLO O=C(NCc1ccccc1Cn1cc[nH+]c1)C(=O)Nc1ccc(Br)nc1 ZINC000766291651 1076947826 /nfs/dbraw/zinc/94/78/26/1076947826.db2.gz RPDDQUYGMRFZOC-UHFFFAOYSA-N 1 2 414.263 2.344 20 0 HEADLO Cc1cc(NC(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)ccc1N1C(=O)CCC1=O ZINC000743158460 1076979125 /nfs/dbraw/zinc/97/91/25/1076979125.db2.gz UBUDGCRNOFIFCL-SFHVURJKSA-N 1 2 414.506 2.367 20 0 HEADLO O=C(NC[C@@H](O)c1ccc2ccccc2c1)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000743168420 1076985541 /nfs/dbraw/zinc/98/55/41/1076985541.db2.gz GSOZOVACJQZFDD-HXUWFJFHSA-N 1 2 409.490 2.224 20 0 HEADLO Cc1ccc(N2CCC[C@@H](NC(=O)Nc3ccn(CC[NH+]4CCOCC4)n3)C2)cc1 ZINC000743168777 1076985694 /nfs/dbraw/zinc/98/56/94/1076985694.db2.gz LSYZCAUTKIAPPG-LJQANCHMSA-N 1 2 412.538 2.314 20 0 HEADLO CC(C)C1CCC2(CC1)NC(=O)N(C[NH+]1CCC(c3nnc4n3CCC4)CC1)C2=O ZINC000743355739 1077031445 /nfs/dbraw/zinc/03/14/45/1077031445.db2.gz MOOOIFMAILBQFT-UHFFFAOYSA-N 1 2 414.554 2.498 20 0 HEADLO CC(=O)NC1CCC(NC(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)CC1 ZINC000743577592 1077071955 /nfs/dbraw/zinc/07/19/55/1077071955.db2.gz DGZNMCJJAIRLQA-UHFFFAOYSA-N 1 2 401.555 2.468 20 0 HEADLO CN(C)c1ccc([NH+]2CCC(NC(=O)NCCS(=O)(=O)C(C)(C)C)CC2)cc1 ZINC000743609021 1077075221 /nfs/dbraw/zinc/07/52/21/1077075221.db2.gz LEZHJJQJBOHXCR-UHFFFAOYSA-N 1 2 410.584 2.234 20 0 HEADLO Cc1ccc(N2CC[C@H](NC(=O)[C@@H](c3ccccc3)[NH+]3CCC(O)CC3)C2=O)cc1 ZINC000743634564 1077084649 /nfs/dbraw/zinc/08/46/49/1077084649.db2.gz YOCIJUMWMJNIGG-FCHUYYIVSA-N 1 2 407.514 2.415 20 0 HEADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)C(=O)Nc1ccc(Br)nc1 ZINC000766302877 1077091167 /nfs/dbraw/zinc/09/11/67/1077091167.db2.gz QEBDLOLDRFVCEC-UHFFFAOYSA-N 1 2 404.268 2.094 20 0 HEADLO COc1cccc(C(=O)NCC(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)c1 ZINC000743836528 1077137608 /nfs/dbraw/zinc/13/76/08/1077137608.db2.gz RKABXQFWSIWBEA-UHFFFAOYSA-N 1 2 410.518 2.276 20 0 HEADLO COc1ccccc1C(=O)NCC(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000743836013 1077138273 /nfs/dbraw/zinc/13/82/73/1077138273.db2.gz KXNUQPGTMALSSK-UHFFFAOYSA-N 1 2 410.518 2.276 20 0 HEADLO C[C@@H]1[C@@H](C)[S@@](=O)CC[N@@H+]1C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000743851543 1077142057 /nfs/dbraw/zinc/14/20/57/1077142057.db2.gz VQELMIDACHAPBF-MTPCCPDASA-N 1 2 410.580 2.325 20 0 HEADLO C[C@@H]1[C@@H](C)[S@@](=O)CC[N@H+]1C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000743851543 1077142058 /nfs/dbraw/zinc/14/20/58/1077142058.db2.gz VQELMIDACHAPBF-MTPCCPDASA-N 1 2 410.580 2.325 20 0 HEADLO O=C(C[N@@H+]1CCc2c(cccc2N2CCOC2=O)C1)NCCOc1ccc(F)cc1 ZINC000743857587 1077144164 /nfs/dbraw/zinc/14/41/64/1077144164.db2.gz GZOWSHMBQRXCAA-UHFFFAOYSA-N 1 2 413.449 2.336 20 0 HEADLO O=C(C[N@H+]1CCc2c(cccc2N2CCOC2=O)C1)NCCOc1ccc(F)cc1 ZINC000743857587 1077144176 /nfs/dbraw/zinc/14/41/76/1077144176.db2.gz GZOWSHMBQRXCAA-UHFFFAOYSA-N 1 2 413.449 2.336 20 0 HEADLO CCO[C@H](C)c1noc(CN2CC[NH+](C[C@@H](O)c3cc(OC)ccc3OC)CC2)n1 ZINC000743859145 1077145563 /nfs/dbraw/zinc/14/55/63/1077145563.db2.gz VWNWRSFURZJVCM-CRAIPNDOSA-N 1 2 420.510 2.036 20 0 HEADLO O=C(NCC[NH+]1Cc2ccccc2C1)C(=O)Nc1ccc(N2CCSCC2)cc1 ZINC000743899872 1077214011 /nfs/dbraw/zinc/21/40/11/1077214011.db2.gz YOYNKCBLUQGQCA-UHFFFAOYSA-N 1 2 410.543 2.310 20 0 HEADLO Cn1cc(C(=O)NCc2ccccc2OCC[NH+]2CCOCC2)c(C(F)(F)F)n1 ZINC000743937931 1077230389 /nfs/dbraw/zinc/23/03/89/1077230389.db2.gz ZTDHZBUREKLTGZ-UHFFFAOYSA-N 1 2 412.412 2.080 20 0 HEADLO CN(C)c1ccc([NH+]2CCC(NC(=O)C(=O)Nc3ccc4c(c3)OCCO4)CC2)cc1 ZINC000743945404 1077239715 /nfs/dbraw/zinc/23/97/15/1077239715.db2.gz WAWPMIHARMXTON-UHFFFAOYSA-N 1 2 424.501 2.248 20 0 HEADLO C[C@]1(c2ccccc2F)NC(=O)N(CN2CC[NH+](Cc3ccsc3)CC2)C1=O ZINC000744130013 1077325863 /nfs/dbraw/zinc/32/58/63/1077325863.db2.gz FXNAKLZEHZIBPP-HXUWFJFHSA-N 1 2 402.495 2.430 20 0 HEADLO Cn1ccnc1[C@@](O)(CC(=O)Nc1cccc(C[NH+]2CCOCC2)c1)C(F)(F)F ZINC000744339002 1077369369 /nfs/dbraw/zinc/36/93/69/1077369369.db2.gz WOYDHJGXNFMUON-SFHVURJKSA-N 1 2 412.412 2.031 20 0 HEADLO COC(=O)Cc1c(C(=O)OC)sc2[nH]c(C[N@@H+]3CCC4(CCCC4)C3)nc(=O)c12 ZINC000744422153 1077385584 /nfs/dbraw/zinc/38/55/84/1077385584.db2.gz VMSMEZVXGTVTNK-UHFFFAOYSA-N 1 2 419.503 2.253 20 0 HEADLO COC(=O)Cc1c(C(=O)OC)sc2[nH]c(C[N@H+]3CCC4(CCCC4)C3)nc(=O)c12 ZINC000744422153 1077385588 /nfs/dbraw/zinc/38/55/88/1077385588.db2.gz VMSMEZVXGTVTNK-UHFFFAOYSA-N 1 2 419.503 2.253 20 0 HEADLO COCCOC(=O)c1sc2[nH]c(C[N@@H+]3CCC4(C3)CCOCC4)nc(=O)c2c1C ZINC000744428078 1077390503 /nfs/dbraw/zinc/39/05/03/1077390503.db2.gz FRYWDXTWJCRNDW-UHFFFAOYSA-N 1 2 421.519 2.099 20 0 HEADLO COCCOC(=O)c1sc2[nH]c(C[N@H+]3CCC4(C3)CCOCC4)nc(=O)c2c1C ZINC000744428078 1077390509 /nfs/dbraw/zinc/39/05/09/1077390509.db2.gz FRYWDXTWJCRNDW-UHFFFAOYSA-N 1 2 421.519 2.099 20 0 HEADLO CCCN1C(=O)C(=O)N(C[NH+]2CCC(CN(CC)C(=O)OC(C)(C)C)CC2)C1=O ZINC000744439993 1077395186 /nfs/dbraw/zinc/39/51/86/1077395186.db2.gz QXPSTFNLWVDFAG-UHFFFAOYSA-N 1 2 410.515 2.114 20 0 HEADLO C[C@]1(C(=O)O[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2OC(=O)[C@]2(C)CCCO2)CCCO1 ZINC000766321013 1077446857 /nfs/dbraw/zinc/44/68/57/1077446857.db2.gz QQDOYFJBBLNLOH-ZIIYYELXSA-N 1 2 417.502 2.464 20 0 HEADLO C[C@]1(C(=O)O[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2OC(=O)[C@]2(C)CCCO2)CCCO1 ZINC000766321013 1077446863 /nfs/dbraw/zinc/44/68/63/1077446863.db2.gz QQDOYFJBBLNLOH-ZIIYYELXSA-N 1 2 417.502 2.464 20 0 HEADLO C[C@H](OC(=O)c1cccnc1N1CC[NH+](Cc2cccc(Cl)c2)CC1)C(N)=O ZINC000744879180 1077649141 /nfs/dbraw/zinc/64/91/41/1077649141.db2.gz QSEMGHDXXYTOOA-AWEZNQCLSA-N 1 2 402.882 2.088 20 0 HEADLO C[C@H](OC(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1)C(=O)NC(=O)NCC(F)(F)F ZINC000745103623 1077732362 /nfs/dbraw/zinc/73/23/62/1077732362.db2.gz GXFNQTMTIRLPNF-DZGCQCFKSA-N 1 2 415.412 2.361 20 0 HEADLO C[C@H](OC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1)C(=O)NC(=O)NCC(F)(F)F ZINC000745103623 1077732368 /nfs/dbraw/zinc/73/23/68/1077732368.db2.gz GXFNQTMTIRLPNF-DZGCQCFKSA-N 1 2 415.412 2.361 20 0 HEADLO O=C(COC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1)Nc1ccnn1C1CCCC1 ZINC000745110946 1077745208 /nfs/dbraw/zinc/74/52/08/1077745208.db2.gz MDBORRYNRTYMGL-LJQANCHMSA-N 1 2 412.490 2.381 20 0 HEADLO O=C(COC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1)Nc1ccnn1C1CCCC1 ZINC000745110946 1077745213 /nfs/dbraw/zinc/74/52/13/1077745213.db2.gz MDBORRYNRTYMGL-LJQANCHMSA-N 1 2 412.490 2.381 20 0 HEADLO O=C(O[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1OC(=O)[C@H]1CCCCO1)[C@H]1CCCCO1 ZINC000766323349 1077753089 /nfs/dbraw/zinc/75/30/89/1077753089.db2.gz ZXVUBJBKISCVGA-NCYKPQTJSA-N 1 2 417.502 2.464 20 0 HEADLO O=C(O[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1OC(=O)[C@H]1CCCCO1)[C@H]1CCCCO1 ZINC000766323349 1077753096 /nfs/dbraw/zinc/75/30/96/1077753096.db2.gz ZXVUBJBKISCVGA-NCYKPQTJSA-N 1 2 417.502 2.464 20 0 HEADLO COc1cc(OC)c(OC)cc1NC(=O)C(=O)N[C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000766326781 1077764312 /nfs/dbraw/zinc/76/43/12/1077764312.db2.gz XKYHGRPGSCYHLE-KRWDZBQOSA-N 1 2 404.467 2.079 20 0 HEADLO CCCc1ncc(C(=O)OCC(=O)NCc2ccccc2C[NH+]2CCOCC2)s1 ZINC000745269319 1077797299 /nfs/dbraw/zinc/79/72/99/1077797299.db2.gz JXRVDDVWGWBVGV-UHFFFAOYSA-N 1 2 417.531 2.401 20 0 HEADLO CCn1c(=O)c2ccc(C(=O)N3CCC[N@H+](C[C@@H]4CCCO4)CC3)cc2[nH]c1=S ZINC000745399635 1077818109 /nfs/dbraw/zinc/81/81/09/1077818109.db2.gz RICCKSNBURBICS-INIZCTEOSA-N 1 2 416.547 2.032 20 0 HEADLO CCn1c(=O)c2ccc(C(=O)N3CCC[N@@H+](C[C@@H]4CCCO4)CC3)cc2[nH]c1=S ZINC000745399635 1077818111 /nfs/dbraw/zinc/81/81/11/1077818111.db2.gz RICCKSNBURBICS-INIZCTEOSA-N 1 2 416.547 2.032 20 0 HEADLO CCOC(=O)c1ccsc1NC(=O)C[N@@H+]1CCC[C@H]1C[C@@H](O)c1cnn(C)c1 ZINC000766954225 1079519680 /nfs/dbraw/zinc/51/96/80/1079519680.db2.gz XXWYFKQBQLGVCD-GOEBONIOSA-N 1 2 406.508 2.185 20 0 HEADLO CCOC(=O)c1ccsc1NC(=O)C[N@H+]1CCC[C@H]1C[C@@H](O)c1cnn(C)c1 ZINC000766954225 1079519691 /nfs/dbraw/zinc/51/96/91/1079519691.db2.gz XXWYFKQBQLGVCD-GOEBONIOSA-N 1 2 406.508 2.185 20 0 HEADLO CC(C)(C)OC(=O)N1CC[C@H]([N@H+](CN2C(=O)C[C@@]3(CCSC3)C2=O)C2CC2)C1 ZINC000771866998 1079557535 /nfs/dbraw/zinc/55/75/35/1079557535.db2.gz UOJLCXCRZVIXDH-MGPUTAFESA-N 1 2 409.552 2.300 20 0 HEADLO CC(C)(C)OC(=O)N1CC[C@H]([N@@H+](CN2C(=O)C[C@@]3(CCSC3)C2=O)C2CC2)C1 ZINC000771866998 1079557555 /nfs/dbraw/zinc/55/75/55/1079557555.db2.gz UOJLCXCRZVIXDH-MGPUTAFESA-N 1 2 409.552 2.300 20 0 HEADLO CN(C)S(=O)(=O)c1ccc(C[N@H+](C)[C@H](CO)c2cccc(Br)c2)o1 ZINC000767057323 1079632200 /nfs/dbraw/zinc/63/22/00/1079632200.db2.gz XRCRRNGPRQRJRB-OAHLLOKOSA-N 1 2 417.325 2.458 20 0 HEADLO CN(C)S(=O)(=O)c1ccc(C[N@@H+](C)[C@H](CO)c2cccc(Br)c2)o1 ZINC000767057323 1079632216 /nfs/dbraw/zinc/63/22/16/1079632216.db2.gz XRCRRNGPRQRJRB-OAHLLOKOSA-N 1 2 417.325 2.458 20 0 HEADLO C[C@@H](OC(=O)C[N@H+](C)[C@H]1CCSC1)C(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000767111920 1079664164 /nfs/dbraw/zinc/66/41/64/1079664164.db2.gz NRKMBSUDMPQPES-PBHICJAKSA-N 1 2 405.520 2.121 20 0 HEADLO C[C@@H](OC(=O)C[N@@H+](C)[C@H]1CCSC1)C(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000767111920 1079664180 /nfs/dbraw/zinc/66/41/80/1079664180.db2.gz NRKMBSUDMPQPES-PBHICJAKSA-N 1 2 405.520 2.121 20 0 HEADLO CCC[C@H]1CN(C(=O)c2ccc3c(c2)[nH]c(=S)n(CC)c3=O)CC[N@@H+]1CCOC ZINC000767123137 1079690983 /nfs/dbraw/zinc/69/09/83/1079690983.db2.gz LUJDHSNUVDPZAV-INIZCTEOSA-N 1 2 418.563 2.278 20 0 HEADLO CCC[C@H]1CN(C(=O)c2ccc3c(c2)[nH]c(=S)n(CC)c3=O)CC[N@H+]1CCOC ZINC000767123137 1079690992 /nfs/dbraw/zinc/69/09/92/1079690992.db2.gz LUJDHSNUVDPZAV-INIZCTEOSA-N 1 2 418.563 2.278 20 0 HEADLO Cc1n[nH]c(C)c1C[C@@H](C)C(=O)OCC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000772089486 1079697168 /nfs/dbraw/zinc/69/71/68/1079697168.db2.gz QAMLXCPURQUNLM-OAHLLOKOSA-N 1 2 414.506 2.219 20 0 HEADLO CC(C)(C)OC(=O)N1CCSC[C@H]1CC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000772101947 1079726074 /nfs/dbraw/zinc/72/60/74/1079726074.db2.gz SJKZAMKALQYZCZ-IAGOWNOFSA-N 1 2 413.584 2.052 20 0 HEADLO CC1([C@@H]2CCCN(c3cc(N4CCC[C@H](C5(C)OCCO5)C4)nc[nH+]3)C2)OCCO1 ZINC000772160181 1079735311 /nfs/dbraw/zinc/73/53/11/1079735311.db2.gz AVZIHLQRPHXOMQ-HDICACEKSA-N 1 2 418.538 2.435 20 0 HEADLO CC1([C@@H]2CCCN(c3cc(N4CCC[C@H](C5(C)OCCO5)C4)[nH+]cn3)C2)OCCO1 ZINC000772160181 1079735324 /nfs/dbraw/zinc/73/53/24/1079735324.db2.gz AVZIHLQRPHXOMQ-HDICACEKSA-N 1 2 418.538 2.435 20 0 HEADLO CC1([C@@H]2CCCN(c3cc(N4CCC[C@@H](C5(C)OCCO5)C4)[nH+]cn3)C2)OCCO1 ZINC000772160186 1079735425 /nfs/dbraw/zinc/73/54/25/1079735425.db2.gz AVZIHLQRPHXOMQ-QZTJIDSGSA-N 1 2 418.538 2.435 20 0 HEADLO NC(=O)NC(=O)OCCC[N@H+](CC(=O)Nc1ccc(Cl)cc1)Cc1cccnc1 ZINC000772203287 1079762672 /nfs/dbraw/zinc/76/26/72/1079762672.db2.gz YRVLMYUBVXEUGI-UHFFFAOYSA-N 1 2 419.869 2.371 20 0 HEADLO NC(=O)NC(=O)OCCC[N@@H+](CC(=O)Nc1ccc(Cl)cc1)Cc1cccnc1 ZINC000772203287 1079762681 /nfs/dbraw/zinc/76/26/81/1079762681.db2.gz YRVLMYUBVXEUGI-UHFFFAOYSA-N 1 2 419.869 2.371 20 0 HEADLO CC[N@@H+](Cc1nc(=O)c2c(C)c(C(=O)OCCOC)sc2[nH]1)C[C@H]1CCCO1 ZINC000772260558 1079766837 /nfs/dbraw/zinc/76/68/37/1079766837.db2.gz JZGPLZXQMAJTNX-CYBMUJFWSA-N 1 2 409.508 2.097 20 0 HEADLO CC[N@H+](Cc1nc(=O)c2c(C)c(C(=O)OCCOC)sc2[nH]1)C[C@H]1CCCO1 ZINC000772260558 1079766852 /nfs/dbraw/zinc/76/68/52/1079766852.db2.gz JZGPLZXQMAJTNX-CYBMUJFWSA-N 1 2 409.508 2.097 20 0 HEADLO CCCc1cc(NC(=O)C(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)n(C)n1 ZINC000772234005 1079779578 /nfs/dbraw/zinc/77/95/78/1079779578.db2.gz BNRJROKYHVTTFO-UHFFFAOYSA-N 1 2 412.538 2.162 20 0 HEADLO COc1ccc(C)cc1NC(=O)[C@@H](C)[NH+]1CCC(Oc2ccnc(C(N)=O)c2)CC1 ZINC000772329585 1079823539 /nfs/dbraw/zinc/82/35/39/1079823539.db2.gz PABVSWNEELSULI-OAHLLOKOSA-N 1 2 412.490 2.368 20 0 HEADLO CC(C)CN(CC(F)(F)F)C(=O)C[NH+]1CCC(Oc2ccnc(C(N)=O)c2)CC1 ZINC000772329703 1079823594 /nfs/dbraw/zinc/82/35/94/1079823594.db2.gz QTZUVAOFCBGMLG-UHFFFAOYSA-N 1 2 416.444 2.071 20 0 HEADLO NC(=O)c1cc(OC2CC[NH+](CC(=O)N3CCSc4ccccc43)CC2)ccn1 ZINC000772333118 1079826271 /nfs/dbraw/zinc/82/62/71/1079826271.db2.gz NYSWUYTXKHVGFS-UHFFFAOYSA-N 1 2 412.515 2.163 20 0 HEADLO NC(=O)c1cc(OC2CC[NH+]([C@H]3CCCN(c4ccccc4F)C3=O)CC2)ccn1 ZINC000772336986 1079829345 /nfs/dbraw/zinc/82/93/45/1079829345.db2.gz YQCDBXNIWDSTQY-FQEVSTJZSA-N 1 2 412.465 2.358 20 0 HEADLO COc1cc(NC(=O)[C@@H]2C[C@@H]2C)c(C(=O)OCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)cc1OC ZINC000767411679 1079837569 /nfs/dbraw/zinc/83/75/69/1079837569.db2.gz WTBMRCIJEXDVDL-CAOSSQGBSA-N 1 2 418.490 2.318 20 0 HEADLO COc1cc(NC(=O)[C@@H]2C[C@@H]2C)c(C(=O)OCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)cc1OC ZINC000767411679 1079837573 /nfs/dbraw/zinc/83/75/73/1079837573.db2.gz WTBMRCIJEXDVDL-CAOSSQGBSA-N 1 2 418.490 2.318 20 0 HEADLO COc1cccc(/C=C(\C(=O)NCCc2cn3cccc(C)c3[nH+]2)n2nnnc2C)c1 ZINC000746538807 1079864302 /nfs/dbraw/zinc/86/43/02/1079864302.db2.gz BRTNGELLJCIGEE-DEDYPNTBSA-N 1 2 417.473 2.303 20 0 HEADLO Cc1ccc(S(=O)(=O)NC(C)(C)C)cc1C(=O)OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000767450395 1079877984 /nfs/dbraw/zinc/87/79/84/1079877984.db2.gz JGGSOBSDVGBULR-IYBDPMFKSA-N 1 2 410.536 2.092 20 0 HEADLO Cc1ccc(S(=O)(=O)NC(C)(C)C)cc1C(=O)OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000767450395 1079877989 /nfs/dbraw/zinc/87/79/89/1079877989.db2.gz JGGSOBSDVGBULR-IYBDPMFKSA-N 1 2 410.536 2.092 20 0 HEADLO Cc1ccc2nc(COC(=O)CCC(=O)N3CCN(c4cccc[nH+]4)CC3)cn2c1 ZINC000767536176 1079936184 /nfs/dbraw/zinc/93/61/84/1079936184.db2.gz FGGQZKWVTDHLNC-UHFFFAOYSA-N 1 2 407.474 2.210 20 0 HEADLO COc1cccc([C@H]2[C@H](C(=O)OCC[N@H+]3C[C@H]4CC[C@@H](C3)O4)CC(=O)N2C2CC2)c1 ZINC000767582849 1079968768 /nfs/dbraw/zinc/96/87/68/1079968768.db2.gz DHZIHVAGZAAXOP-DYQZNNLLSA-N 1 2 414.502 2.154 20 0 HEADLO COc1cccc([C@H]2[C@H](C(=O)OCC[N@@H+]3C[C@H]4CC[C@@H](C3)O4)CC(=O)N2C2CC2)c1 ZINC000767582849 1079968789 /nfs/dbraw/zinc/96/87/89/1079968789.db2.gz DHZIHVAGZAAXOP-DYQZNNLLSA-N 1 2 414.502 2.154 20 0 HEADLO O=C(C[C@H](O)c1cccc(F)c1)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000772613515 1079979430 /nfs/dbraw/zinc/97/94/30/1079979430.db2.gz WMNNODVBUGEJBL-FQEVSTJZSA-N 1 2 402.466 2.277 20 0 HEADLO C[C@@H]1C[NH+](C(C)(C)CNS(=O)(=O)c2ccc(C3(C)OCCO3)cc2)C[C@@H](C)O1 ZINC000767670401 1080018157 /nfs/dbraw/zinc/01/81/57/1080018157.db2.gz HHYHIIBTJRYWCF-HZPDHXFCSA-N 1 2 412.552 2.072 20 0 HEADLO O=C(COC(=O)C[C@H]1CSCCS1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000767695171 1080026978 /nfs/dbraw/zinc/02/69/78/1080026978.db2.gz DMLRYRJECZKBMD-KRWDZBQOSA-N 1 2 410.561 2.239 20 0 HEADLO CC(C)(C)OC(=O)N(CC(=O)NCCc1cn2c([nH+]1)CCCC2)C[C@H]1CCCO1 ZINC000742044654 1080029560 /nfs/dbraw/zinc/02/95/60/1080029560.db2.gz QWCQXEMRPKXVNZ-QGZVFWFLSA-N 1 2 406.527 2.294 20 0 HEADLO CC[C@@H](SC)C(=O)OCC(=O)N1CC[NH+](Cc2cc(OC)c(OC)cc2C)CC1 ZINC000767677728 1080035002 /nfs/dbraw/zinc/03/50/02/1080035002.db2.gz RYTHDYBIGRMGSX-LJQANCHMSA-N 1 2 424.563 2.341 20 0 HEADLO CC(C)NC(=O)c1ccc(C(=O)N2CC[N@H+](C)C[C@@H]2CNC(=O)OC(C)(C)C)cc1 ZINC000767692250 1080042293 /nfs/dbraw/zinc/04/22/93/1080042293.db2.gz UAQKFUWSFPOCND-SFHVURJKSA-N 1 2 418.538 2.106 20 0 HEADLO CC(C)NC(=O)c1ccc(C(=O)N2CC[N@@H+](C)C[C@@H]2CNC(=O)OC(C)(C)C)cc1 ZINC000767692250 1080042303 /nfs/dbraw/zinc/04/23/03/1080042303.db2.gz UAQKFUWSFPOCND-SFHVURJKSA-N 1 2 418.538 2.106 20 0 HEADLO CN(Cc1c[nH+]cn1C)Cc1cccc(Br)c1OCCS(C)(=O)=O ZINC000785533905 1080043522 /nfs/dbraw/zinc/04/35/22/1080043522.db2.gz HWUINHPDDAWMJP-UHFFFAOYSA-N 1 2 416.341 2.238 20 0 HEADLO C[C@@H]1C[NH+](C[C@H]2CCCN2S(=O)(=O)c2ccc(C3(C)OCCO3)cc2)C[C@@H](C)O1 ZINC000767727481 1080055247 /nfs/dbraw/zinc/05/52/47/1080055247.db2.gz IJDWYNJMWBNHKN-ZHALLVOQSA-N 1 2 424.563 2.168 20 0 HEADLO C[N@H+](Cc1nc(CC(=O)Nc2ccc(N3CCOCC3)cc2)no1)[C@H]1CCSC1 ZINC000785560256 1080057626 /nfs/dbraw/zinc/05/76/26/1080057626.db2.gz QCEXDXUZUNFZRT-KRWDZBQOSA-N 1 2 417.535 2.025 20 0 HEADLO C[N@@H+](Cc1nc(CC(=O)Nc2ccc(N3CCOCC3)cc2)no1)[C@H]1CCSC1 ZINC000785560256 1080057637 /nfs/dbraw/zinc/05/76/37/1080057637.db2.gz QCEXDXUZUNFZRT-KRWDZBQOSA-N 1 2 417.535 2.025 20 0 HEADLO C[N@H+](Cc1nc(CC(=O)Nc2ccc(N3CCOCC3)cc2)no1)[C@@H]1CCSC1 ZINC000785560257 1080057776 /nfs/dbraw/zinc/05/77/76/1080057776.db2.gz QCEXDXUZUNFZRT-QGZVFWFLSA-N 1 2 417.535 2.025 20 0 HEADLO C[N@@H+](Cc1nc(CC(=O)Nc2ccc(N3CCOCC3)cc2)no1)[C@@H]1CCSC1 ZINC000785560257 1080057786 /nfs/dbraw/zinc/05/77/86/1080057786.db2.gz QCEXDXUZUNFZRT-QGZVFWFLSA-N 1 2 417.535 2.025 20 0 HEADLO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]CCN1CCCC(C)(C)C1 ZINC000767741204 1080060502 /nfs/dbraw/zinc/06/05/02/1080060502.db2.gz ZJEMXNOVSBCZDV-OAHLLOKOSA-N 1 2 402.992 2.416 20 0 HEADLO COc1ccc(C[N@@H+]2CCCN(C(=O)COC(=O)c3cccc4[nH]ncc43)CC2)cc1 ZINC000785592852 1080066368 /nfs/dbraw/zinc/06/63/68/1080066368.db2.gz SSUAOIRWVIWZKT-UHFFFAOYSA-N 1 2 422.485 2.463 20 0 HEADLO COc1ccc(C[N@H+]2CCCN(C(=O)COC(=O)c3cccc4[nH]ncc43)CC2)cc1 ZINC000785592852 1080066378 /nfs/dbraw/zinc/06/63/78/1080066378.db2.gz SSUAOIRWVIWZKT-UHFFFAOYSA-N 1 2 422.485 2.463 20 0 HEADLO COc1cccc([C@H]2CN(C(=O)c3cc(Br)c(C)n(C)c3=O)CC[NH2+]2)c1 ZINC001169974350 1080070042 /nfs/dbraw/zinc/07/00/42/1080070042.db2.gz IXANQOFOIILCCH-QGZVFWFLSA-N 1 2 420.307 2.252 20 0 HEADLO C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1C)[NH+]1CCN(c2ccc(NS(C)(=O)=O)cc2)CC1 ZINC000767753950 1080070324 /nfs/dbraw/zinc/07/03/24/1080070324.db2.gz ONZIWFXUSIAKHU-FUHIMQAGSA-N 1 2 422.595 2.264 20 0 HEADLO CCOC(C[NH+]1CCN(C(=O)COc2ccc(Br)cc2)CC1)OCC ZINC000767789657 1080095569 /nfs/dbraw/zinc/09/55/69/1080095569.db2.gz YGTBLDXJTLSFRC-UHFFFAOYSA-N 1 2 415.328 2.371 20 0 HEADLO C[C@@H](NS(=O)(=O)c1ccc(C2(C)OCCO2)cc1)C1([NH+]2CCOCC2)CCCC1 ZINC000767821280 1080130925 /nfs/dbraw/zinc/13/09/25/1080130925.db2.gz IFTFBXSGPRFSFG-QGZVFWFLSA-N 1 2 424.563 2.218 20 0 HEADLO COCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[NH2+][C@@H](c2cccc(OC)c2)C1 ZINC001169976638 1080174074 /nfs/dbraw/zinc/17/40/74/1080174074.db2.gz WLTRFOBTCNLSSH-ZWKOTPCHSA-N 1 2 407.511 2.098 20 0 HEADLO O=C(OCc1cc2ccccc2nc1Cl)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000785655519 1080176464 /nfs/dbraw/zinc/17/64/64/1080176464.db2.gz IGXHCXPSLUASRY-MRXNPFEDSA-N 1 2 417.893 2.112 20 0 HEADLO CC(=O)c1c(C)cc(C)c(COC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1C ZINC000785657775 1080179705 /nfs/dbraw/zinc/17/97/05/1080179705.db2.gz NLTSJNBNXYKLAA-LJQANCHMSA-N 1 2 416.518 2.038 20 0 HEADLO O=C(OCc1csc(-c2cccs2)n1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000785662501 1080184358 /nfs/dbraw/zinc/18/43/58/1080184358.db2.gz XZFHCLDJMSNKQK-CQSZACIVSA-N 1 2 421.544 2.096 20 0 HEADLO O=C(OCc1cc(Cl)ccc1Cl)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000785665743 1080186273 /nfs/dbraw/zinc/18/62/73/1080186273.db2.gz YHMLYFBCNSSMFU-CYBMUJFWSA-N 1 2 401.290 2.217 20 0 HEADLO COc1ccc(CN2CCC[N@H+](C[C@@H](O)c3cc(OC)ccc3OC)CC2=O)cc1 ZINC000767931620 1080229193 /nfs/dbraw/zinc/22/91/93/1080229193.db2.gz NXBASRRACSXVNT-OAQYLSRUSA-N 1 2 414.502 2.480 20 0 HEADLO COc1ccc(CN2CCC[N@@H+](C[C@@H](O)c3cc(OC)ccc3OC)CC2=O)cc1 ZINC000767931620 1080229201 /nfs/dbraw/zinc/22/92/01/1080229201.db2.gz NXBASRRACSXVNT-OAQYLSRUSA-N 1 2 414.502 2.480 20 0 HEADLO CC(=O)[C@H]1CCCC[N@@H+]1[C@@H]1C[C@@H](C(=O)N2CCSC2)N(C(=O)OC(C)(C)C)C1 ZINC001170049893 1080235167 /nfs/dbraw/zinc/23/51/67/1080235167.db2.gz GRCMRVBISWSZBV-ZACQAIPSSA-N 1 2 411.568 2.341 20 0 HEADLO CC(=O)[C@H]1CCCC[N@H+]1[C@@H]1C[C@@H](C(=O)N2CCSC2)N(C(=O)OC(C)(C)C)C1 ZINC001170049893 1080235169 /nfs/dbraw/zinc/23/51/69/1080235169.db2.gz GRCMRVBISWSZBV-ZACQAIPSSA-N 1 2 411.568 2.341 20 0 HEADLO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)c1cc(S(C)(=O)=O)ccc1Cl ZINC000785809614 1080253936 /nfs/dbraw/zinc/25/39/36/1080253936.db2.gz PWMYVUADTXXATG-ZDUSSCGKSA-N 1 2 400.928 2.069 20 0 HEADLO C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)c1cc(S(C)(=O)=O)ccc1Cl ZINC000785809614 1080253945 /nfs/dbraw/zinc/25/39/45/1080253945.db2.gz PWMYVUADTXXATG-ZDUSSCGKSA-N 1 2 400.928 2.069 20 0 HEADLO O=C(NCC[N@@H+]1CCc2c(Cl)cccc2C1)N[C@H](CO)C[C@@H](O)c1ccccc1 ZINC000785944342 1080310275 /nfs/dbraw/zinc/31/02/75/1080310275.db2.gz ATSFGZDOWBAJSH-GHTZIAJQSA-N 1 2 417.937 2.482 20 0 HEADLO O=C(NCC[N@H+]1CCc2c(Cl)cccc2C1)N[C@H](CO)C[C@@H](O)c1ccccc1 ZINC000785944342 1080310288 /nfs/dbraw/zinc/31/02/88/1080310288.db2.gz ATSFGZDOWBAJSH-GHTZIAJQSA-N 1 2 417.937 2.482 20 0 HEADLO Cc1ccc(NC(=O)C(=O)N[C@@H](CO)c2ccc(Br)cc2)c(N(C)C)[nH+]1 ZINC000768128527 1080362400 /nfs/dbraw/zinc/36/24/00/1080362400.db2.gz ZVWRRJPJGDJFPT-HNNXBMFYSA-N 1 2 421.295 2.007 20 0 HEADLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)c2ccc(-n3cc(Br)cn3)nn2)C1 ZINC000768154355 1080374193 /nfs/dbraw/zinc/37/41/93/1080374193.db2.gz NKHGGWLHFOPKGN-LBPRGKRZSA-N 1 2 416.283 2.178 20 0 HEADLO Cc1cccc(C)c1CNC(=O)C(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000786083613 1080414275 /nfs/dbraw/zinc/41/42/75/1080414275.db2.gz QFRALRGEPVKLEV-UHFFFAOYSA-N 1 2 422.529 2.139 20 0 HEADLO CC(C)OCC[NH+]1CCN(C(=O)c2ccnc(CNC(=O)OC(C)(C)C)c2)CC1 ZINC000768217517 1080420540 /nfs/dbraw/zinc/42/05/40/1080420540.db2.gz MSDAGYNFYBGTAT-UHFFFAOYSA-N 1 2 406.527 2.289 20 0 HEADLO Cn1ncc2c1ncnc2N1CC[NH+](Cc2ccc(NC(=O)OC(C)(C)C)nc2)CC1 ZINC000768233947 1080434391 /nfs/dbraw/zinc/43/43/91/1080434391.db2.gz CGXONNPUOIQAKB-UHFFFAOYSA-N 1 2 424.509 2.428 20 0 HEADLO CN(CCCn1cc[nH+]c1)C(=O)C1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1 ZINC000768325535 1080487263 /nfs/dbraw/zinc/48/72/63/1080487263.db2.gz ZJHJSBPKOTWQIJ-YVLHZVERSA-N 1 2 416.547 2.444 20 0 HEADLO CCc1ccc([C@@]2(CC)NC(=O)N(C[N@@H+]3CCC[C@@H](N4CCCC4=O)C3)C2=O)cc1 ZINC000768485858 1080578964 /nfs/dbraw/zinc/57/89/64/1080578964.db2.gz XVHSTXHPKFKWFE-AUSIDOKSSA-N 1 2 412.534 2.450 20 0 HEADLO CCc1ccc([C@@]2(CC)NC(=O)N(C[N@H+]3CCC[C@@H](N4CCCC4=O)C3)C2=O)cc1 ZINC000768485858 1080578971 /nfs/dbraw/zinc/57/89/71/1080578971.db2.gz XVHSTXHPKFKWFE-AUSIDOKSSA-N 1 2 412.534 2.450 20 0 HEADLO CN(CCCn1cc[nH+]c1)C(=O)C(=O)NCC1(NC(=O)OC(C)(C)C)CCCCC1 ZINC000786393582 1080584593 /nfs/dbraw/zinc/58/45/93/1080584593.db2.gz QQYIOOVDSSHSMN-UHFFFAOYSA-N 1 2 421.542 2.075 20 0 HEADLO COC(=O)CC1(CC(=O)OCC(=O)N2CC[NH+](Cc3ccsc3)CC2)CCCC1 ZINC000786404437 1080588029 /nfs/dbraw/zinc/58/80/29/1080588029.db2.gz KXYNEZMZXZESSG-UHFFFAOYSA-N 1 2 422.547 2.449 20 0 HEADLO COC(=O)CCC[N@@H+](Cc1ccccc1)CN1C(=O)C(=O)N(C2CCCC2)C1=O ZINC000768500466 1080594895 /nfs/dbraw/zinc/59/48/95/1080594895.db2.gz OUKNPEYFMMGFJY-UHFFFAOYSA-N 1 2 401.463 2.133 20 0 HEADLO COC(=O)CCC[N@H+](Cc1ccccc1)CN1C(=O)C(=O)N(C2CCCC2)C1=O ZINC000768500466 1080594905 /nfs/dbraw/zinc/59/49/05/1080594905.db2.gz OUKNPEYFMMGFJY-UHFFFAOYSA-N 1 2 401.463 2.133 20 0 HEADLO COC(=O)c1ccc(C(=O)OCC(=O)N2CC[NH+](Cc3cccs3)CC2)cc1F ZINC000768680941 1080743168 /nfs/dbraw/zinc/74/31/68/1080743168.db2.gz UORXYFCQMURSTH-UHFFFAOYSA-N 1 2 420.462 2.175 20 0 HEADLO COC(=O)c1ccsc1N1CC[C@H]([N@H+](C)CCN(C)C(=O)OC(C)(C)C)C1=O ZINC000768745852 1080770077 /nfs/dbraw/zinc/77/00/77/1080770077.db2.gz DFNIBHMEIAYFML-AWEZNQCLSA-N 1 2 411.524 2.439 20 0 HEADLO COC(=O)c1ccsc1N1CC[C@H]([N@@H+](C)CCN(C)C(=O)OC(C)(C)C)C1=O ZINC000768745852 1080770087 /nfs/dbraw/zinc/77/00/87/1080770087.db2.gz DFNIBHMEIAYFML-AWEZNQCLSA-N 1 2 411.524 2.439 20 0 HEADLO CN(CC[N@H+](C)CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)OC(C)(C)C ZINC000768746760 1080771030 /nfs/dbraw/zinc/77/10/30/1080771030.db2.gz YYSKZYSTJNBJKR-UHFFFAOYSA-N 1 2 406.527 2.260 20 0 HEADLO CN(CC[N@@H+](C)CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)OC(C)(C)C ZINC000768746760 1080771039 /nfs/dbraw/zinc/77/10/39/1080771039.db2.gz YYSKZYSTJNBJKR-UHFFFAOYSA-N 1 2 406.527 2.260 20 0 HEADLO Cn1cc(C(=O)NCCC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)c(C(C)(C)C)n1 ZINC000768941262 1080868059 /nfs/dbraw/zinc/86/80/59/1080868059.db2.gz FESHBJJXESDHKA-UHFFFAOYSA-N 1 2 407.559 2.390 20 0 HEADLO C[N@H+](CCOC(=O)c1nc(S(C)(=O)=O)n2ccccc12)Cc1ccc(F)cc1 ZINC000769091581 1080902150 /nfs/dbraw/zinc/90/21/50/1080902150.db2.gz RSVMYYQLNSFLCM-UHFFFAOYSA-N 1 2 405.451 2.166 20 0 HEADLO C[N@@H+](CCOC(=O)c1nc(S(C)(=O)=O)n2ccccc12)Cc1ccc(F)cc1 ZINC000769091581 1080902179 /nfs/dbraw/zinc/90/21/79/1080902179.db2.gz RSVMYYQLNSFLCM-UHFFFAOYSA-N 1 2 405.451 2.166 20 0 HEADLO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)c2ccoc2COc2ccc(C=O)cc2)CC1 ZINC000746621126 1080903863 /nfs/dbraw/zinc/90/38/63/1080903863.db2.gz WDQCHGBZZRDZSK-INIZCTEOSA-N 1 2 414.458 2.381 20 0 HEADLO O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)OCc1cc(-c2cccs2)on1 ZINC000786994558 1080904046 /nfs/dbraw/zinc/90/40/46/1080904046.db2.gz DGBYQSUBOGRKIK-MRXNPFEDSA-N 1 2 419.503 2.160 20 0 HEADLO O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)OCc1ncc(Cl)cc1Cl ZINC000787002628 1080915293 /nfs/dbraw/zinc/91/52/93/1080915293.db2.gz UQUUCVRIHLSGGV-MRXNPFEDSA-N 1 2 416.305 2.145 20 0 HEADLO COc1ccc2[nH]cc(CCNC(=O)C(=O)NCc3[nH+]cc(C)c(OC)c3C)c2c1 ZINC000787044240 1080967843 /nfs/dbraw/zinc/96/78/43/1080967843.db2.gz BMNGFMPJOXGXJS-UHFFFAOYSA-N 1 2 410.474 2.172 20 0 HEADLO COc1ccc(NC(=O)N2CC[N@H+](C)C[C@H]2CNC(=O)OC(C)(C)C)cc1OC ZINC000769230803 1081009597 /nfs/dbraw/zinc/00/95/97/1081009597.db2.gz RSYFDFJUKGRMNE-OAHLLOKOSA-N 1 2 408.499 2.376 20 0 HEADLO COc1ccc(NC(=O)N2CC[N@@H+](C)C[C@H]2CNC(=O)OC(C)(C)C)cc1OC ZINC000769230803 1081009606 /nfs/dbraw/zinc/00/96/06/1081009606.db2.gz RSYFDFJUKGRMNE-OAHLLOKOSA-N 1 2 408.499 2.376 20 0 HEADLO COc1ccc(CC(=O)N2CC[NH+]([C@@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)cc1 ZINC000769298300 1081033591 /nfs/dbraw/zinc/03/35/91/1081033591.db2.gz HFDINTNOYWGPAS-GOSISDBHSA-N 1 2 403.523 2.391 20 0 HEADLO CC1CCC(NC(=O)CN2CC[NH+]([C@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)CC1 ZINC000769320743 1081041403 /nfs/dbraw/zinc/04/14/03/1081041403.db2.gz WLTVYGRFKLBXOC-ACBHZAAOSA-N 1 2 408.587 2.308 20 0 HEADLO Cc1noc(C)c1S(=O)(=O)N1CCC[N@H+](C[C@H](O)c2ccc(F)cc2C)CC1 ZINC000746655717 1081042632 /nfs/dbraw/zinc/04/26/32/1081042632.db2.gz PXGAOJRBCMNDJP-SFHVURJKSA-N 1 2 411.499 2.169 20 0 HEADLO Cc1noc(C)c1S(=O)(=O)N1CCC[N@@H+](C[C@H](O)c2ccc(F)cc2C)CC1 ZINC000746655717 1081042640 /nfs/dbraw/zinc/04/26/40/1081042640.db2.gz PXGAOJRBCMNDJP-SFHVURJKSA-N 1 2 411.499 2.169 20 0 HEADLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)C(=O)NCc2cccc(OCC(F)(F)F)c2)C1 ZINC000787175298 1081045314 /nfs/dbraw/zinc/04/53/14/1081045314.db2.gz IPKXHAJKLJHRGV-HNNXBMFYSA-N 1 2 424.423 2.384 20 0 HEADLO CN(C)C(=O)COc1ccc(C(F)(F)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC000769398364 1081062060 /nfs/dbraw/zinc/06/20/60/1081062060.db2.gz QMLJPYVMCTYTRN-MRXNPFEDSA-N 1 2 418.444 2.036 20 0 HEADLO C[C@]1(C2CC[NH+](CC(=O)Nc3ccccc3SC(F)F)CC2)NC(=O)NC1=O ZINC000746497569 1081062227 /nfs/dbraw/zinc/06/22/27/1081062227.db2.gz PPAFQMGYLCNMET-GOSISDBHSA-N 1 2 412.462 2.250 20 0 HEADLO CC(C)Nc1ccc(C(=O)OCC(=O)N2CC[NH+](Cc3ccsc3)CC2)cn1 ZINC000787248740 1081070353 /nfs/dbraw/zinc/07/03/53/1081070353.db2.gz DWADHZAFDKKPTB-UHFFFAOYSA-N 1 2 402.520 2.465 20 0 HEADLO C[S@](=O)CC[NH+]1CCN(Cc2cn(Cc3ccccc3)nc2-c2cccnc2)CC1 ZINC000769481097 1081078242 /nfs/dbraw/zinc/07/82/42/1081078242.db2.gz QZXVYXNSSSZOCZ-PMERELPUSA-N 1 2 423.586 2.490 20 0 HEADLO C[C@@H]1CN=C(N2CC[NH+](Cc3ccccc3OCC(=O)N3CCCC3)CC2)S1 ZINC000769488199 1081080547 /nfs/dbraw/zinc/08/05/47/1081080547.db2.gz NTTCDUYOFVLSFH-QGZVFWFLSA-N 1 2 402.564 2.297 20 0 HEADLO CCOCCOCC[N@H+](C)CN1C(=O)N[C@@](C)(c2ccc(F)cc2Cl)C1=O ZINC000787235877 1081083053 /nfs/dbraw/zinc/08/30/53/1081083053.db2.gz DAWOWBZQFLCQFM-SFHVURJKSA-N 1 2 401.866 2.189 20 0 HEADLO CCOCCOCC[N@@H+](C)CN1C(=O)N[C@@](C)(c2ccc(F)cc2Cl)C1=O ZINC000787235877 1081083057 /nfs/dbraw/zinc/08/30/57/1081083057.db2.gz DAWOWBZQFLCQFM-SFHVURJKSA-N 1 2 401.866 2.189 20 0 HEADLO C[C@H](CNC(=O)OC(C)(C)C)NC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000769496124 1081097079 /nfs/dbraw/zinc/09/70/79/1081097079.db2.gz YCCBODOCOWMKPI-AEFFLSMTSA-N 1 2 406.527 2.100 20 0 HEADLO C[C@H](CNC(=O)OC(C)(C)C)NC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000769496124 1081097085 /nfs/dbraw/zinc/09/70/85/1081097085.db2.gz YCCBODOCOWMKPI-AEFFLSMTSA-N 1 2 406.527 2.100 20 0 HEADLO CC(C)(C)OC(=O)N1CCc2cccc(CN3CC[NH+](C(C)(C)C(N)=O)CC3)c21 ZINC000769504209 1081098846 /nfs/dbraw/zinc/09/88/46/1081098846.db2.gz PPXBSNWNEMGQTK-UHFFFAOYSA-N 1 2 402.539 2.366 20 0 HEADLO CC(C)(C)OC(=O)N1CCc2cccc(C[NH+]3CCN(C(C)(C)C(N)=O)CC3)c21 ZINC000769504209 1081098851 /nfs/dbraw/zinc/09/88/51/1081098851.db2.gz PPXBSNWNEMGQTK-UHFFFAOYSA-N 1 2 402.539 2.366 20 0 HEADLO COCCN1CC[N@H+](C)C2(CCN(c3nc(Cl)cc(C(C)(C)C)n3)CC2)C1=O ZINC001164638994 719278523 /nfs/dbraw/zinc/27/85/23/719278523.db2.gz GLVZEFVQTQIIBF-UHFFFAOYSA-N 1 2 409.962 2.187 20 0 HEADLO COCCN1CC[N@@H+](C)C2(CCN(c3nc(Cl)cc(C(C)(C)C)n3)CC2)C1=O ZINC001164638994 719278526 /nfs/dbraw/zinc/27/85/26/719278526.db2.gz GLVZEFVQTQIIBF-UHFFFAOYSA-N 1 2 409.962 2.187 20 0 HEADLO NC(=O)c1c(Cl)ncnc1N1CCC2(CC1)COCC[N@@H+]2Cc1ccc(F)cc1 ZINC001164672535 719512699 /nfs/dbraw/zinc/51/26/99/719512699.db2.gz JUNPZSSVZIKDFO-UHFFFAOYSA-N 1 2 419.888 2.239 20 0 HEADLO NC(=O)c1c(Cl)ncnc1N1CCC2(CC1)COCC[N@H+]2Cc1ccc(F)cc1 ZINC001164672535 719512707 /nfs/dbraw/zinc/51/27/07/719512707.db2.gz JUNPZSSVZIKDFO-UHFFFAOYSA-N 1 2 419.888 2.239 20 0 HEADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(SC)cnc1Cl ZINC001164706644 719865413 /nfs/dbraw/zinc/86/54/13/719865413.db2.gz QFNVVJZMVQBAIW-YVEFUNNKSA-N 1 2 400.932 2.085 20 0 HEADLO C=Cc1nc(Cl)nc(N2CC[C@@H]([NH+]3CCOCC3)C[C@]2(C)C(=O)OC)c1OC ZINC001164699137 719866569 /nfs/dbraw/zinc/86/65/69/719866569.db2.gz AIBMSLPPDPIPQX-BFUOFWGJSA-N 1 2 410.902 2.014 20 0 HEADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc(COC2CCC2)cn1 ZINC001164708435 719875703 /nfs/dbraw/zinc/87/57/03/719875703.db2.gz ZFCVHHCRASYBCY-AVRDEDQJSA-N 1 2 403.523 2.383 20 0 HEADLO CCCSc1ncnc(N2CC[C@H]([NH+]3CCOCC3)C[C@]2(C)C(=O)OC)c1OC ZINC001164702790 719879191 /nfs/dbraw/zinc/87/91/91/719879191.db2.gz QFXYDQRGYCRZDB-MGPUTAFESA-N 1 2 424.567 2.220 20 0 HEADLO CSc1ccnc(Cl)c1N1CCc2c(C(=O)N3CC[NH+](C)CC3)nn(C)c2C1 ZINC001164708375 719915734 /nfs/dbraw/zinc/91/57/34/719915734.db2.gz BKVQNUSTFAJZKE-UHFFFAOYSA-N 1 2 420.970 2.141 20 0 HEADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3cnc(Cl)cc3C)C2)C1 ZINC001164719944 720250301 /nfs/dbraw/zinc/25/03/01/720250301.db2.gz PZGHQXLQVLXHAA-SFHVURJKSA-N 1 2 416.900 2.253 20 0 HEADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3cnc(Cl)cc3C)C2)C1 ZINC001164719944 720250305 /nfs/dbraw/zinc/25/03/05/720250305.db2.gz PZGHQXLQVLXHAA-SFHVURJKSA-N 1 2 416.900 2.253 20 0 HEADLO CSc1nccc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)n1 ZINC001164824867 720358044 /nfs/dbraw/zinc/35/80/44/720358044.db2.gz OYBHVEFNDVXBBB-UHFFFAOYSA-N 1 2 418.592 2.277 20 0 HEADLO CSc1nccc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)n1 ZINC001164824867 720358049 /nfs/dbraw/zinc/35/80/49/720358049.db2.gz OYBHVEFNDVXBBB-UHFFFAOYSA-N 1 2 418.592 2.277 20 0 HEADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ncnc5ncccc54)CC3)C2=O)cs1 ZINC001164823283 720361719 /nfs/dbraw/zinc/36/17/19/720361719.db2.gz DETZXJMDYNVSRP-UHFFFAOYSA-N 1 2 423.546 2.103 20 0 HEADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ncnc5ncccc54)CC3)C2=O)cs1 ZINC001164823283 720361723 /nfs/dbraw/zinc/36/17/23/720361723.db2.gz DETZXJMDYNVSRP-UHFFFAOYSA-N 1 2 423.546 2.103 20 0 HEADLO Cc1cnc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)c(Cl)c1 ZINC001164824627 720434839 /nfs/dbraw/zinc/43/48/39/720434839.db2.gz OGJRGXUCHOYCFE-MRXNPFEDSA-N 1 2 405.930 2.230 20 0 HEADLO Cc1cnc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)c(Cl)c1 ZINC001164824625 720435218 /nfs/dbraw/zinc/43/52/18/720435218.db2.gz OGJRGXUCHOYCFE-INIZCTEOSA-N 1 2 405.930 2.230 20 0 HEADLO CSc1cnc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)c(C)c1 ZINC001164829539 720468903 /nfs/dbraw/zinc/46/89/03/720468903.db2.gz FZWSWJUPQJONID-KRWDZBQOSA-N 1 2 417.579 2.298 20 0 HEADLO Nc1cc(C(F)(F)N2CCCn3c(=O)cc(Cn4cc[nH+]c4)nc3C2)cnc1Cl ZINC001164855405 720895999 /nfs/dbraw/zinc/89/59/99/720895999.db2.gz BWWBMOLSMJKUNX-UHFFFAOYSA-N 1 2 421.839 2.074 20 0 HEADLO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4nc[nH]c5nc(=S)sc4-5)C3)O2)CC1 ZINC001164897456 721430135 /nfs/dbraw/zinc/43/01/35/721430135.db2.gz UDMXDSOCCDANKQ-LIRRHRJNSA-N 1 2 420.608 2.140 20 0 HEADLO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4nc[nH]c5nc(=S)sc4-5)C3)O2)CC1 ZINC001164897456 721430137 /nfs/dbraw/zinc/43/01/37/721430137.db2.gz UDMXDSOCCDANKQ-LIRRHRJNSA-N 1 2 420.608 2.140 20 0 HEADLO CCOC(=O)Cc1nc(Cl)cc(N2CCCn3c(C[N@H+](C)C(C)C)nnc3C2)n1 ZINC001165010401 721702199 /nfs/dbraw/zinc/70/21/99/721702199.db2.gz IAUALUIESMAWLI-UHFFFAOYSA-N 1 2 421.933 2.078 20 0 HEADLO CCOC(=O)Cc1nc(Cl)cc(N2CCCn3c(C[N@@H+](C)C(C)C)nnc3C2)n1 ZINC001165010401 721702200 /nfs/dbraw/zinc/70/22/00/721702200.db2.gz IAUALUIESMAWLI-UHFFFAOYSA-N 1 2 421.933 2.078 20 0 HEADLO COc1nc(-c2ccccc2)nc(N2CCCn3c(C[N@H+](C)C(C)C)nnc3C2)n1 ZINC001165009011 721707285 /nfs/dbraw/zinc/70/72/85/721707285.db2.gz MVZDNBNKTMJTSU-UHFFFAOYSA-N 1 2 408.510 2.389 20 0 HEADLO COc1nc(-c2ccccc2)nc(N2CCCn3c(C[N@@H+](C)C(C)C)nnc3C2)n1 ZINC001165009011 721707289 /nfs/dbraw/zinc/70/72/89/721707289.db2.gz MVZDNBNKTMJTSU-UHFFFAOYSA-N 1 2 408.510 2.389 20 0 HEADLO c1cncc(C[N@@H+]2CCOC[C@@]3(CN(c4ccnc(-c5cccnc5)n4)CCO3)C2)c1 ZINC001164914568 721786914 /nfs/dbraw/zinc/78/69/14/721786914.db2.gz DZPGIDCLKGQGGX-QHCPKHFHSA-N 1 2 418.501 2.041 20 0 HEADLO c1cncc(C[N@H+]2CCOC[C@@]3(CN(c4ccnc(-c5cccnc5)n4)CCO3)C2)c1 ZINC001164914568 721786916 /nfs/dbraw/zinc/78/69/16/721786916.db2.gz DZPGIDCLKGQGGX-QHCPKHFHSA-N 1 2 418.501 2.041 20 0 HEADLO COC(=O)c1ccc2nc(N3CCC4(CC3)c3[nH+]cc(C)n3CCN4C)ncc2c1 ZINC001164919145 721813403 /nfs/dbraw/zinc/81/34/03/721813403.db2.gz VSFAIWSDUHQIQH-UHFFFAOYSA-N 1 2 406.490 2.362 20 0 HEADLO COC(=O)c1ccc(C)nc1N1CCC2(CC1)C(=O)NCC[N@H+]2Cc1ccccc1 ZINC001164944987 721969998 /nfs/dbraw/zinc/96/99/98/721969998.db2.gz LYUGZUZKJYXTRR-UHFFFAOYSA-N 1 2 408.502 2.148 20 0 HEADLO COC(=O)c1ccc(C)nc1N1CCC2(CC1)C(=O)NCC[N@@H+]2Cc1ccccc1 ZINC001164944987 721970002 /nfs/dbraw/zinc/97/00/02/721970002.db2.gz LYUGZUZKJYXTRR-UHFFFAOYSA-N 1 2 408.502 2.148 20 0 HEADLO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2S(=O)(=O)CCC(=O)OCc2ccccc2)C[C@H](C)O1 ZINC000769758028 1078543109 /nfs/dbraw/zinc/54/31/09/1078543109.db2.gz PXTBKSVZYGUVFC-NSHGMRRFSA-N 1 2 424.563 2.023 20 0 HEADLO C[C@@H]1C[N@H+](C[C@@H]2CCCN2S(=O)(=O)CCC(=O)OCc2ccccc2)C[C@H](C)O1 ZINC000769758028 1078543119 /nfs/dbraw/zinc/54/31/19/1078543119.db2.gz PXTBKSVZYGUVFC-NSHGMRRFSA-N 1 2 424.563 2.023 20 0 HEADLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)CCNS(=O)(=O)/C=C\c2ccccc2)C1 ZINC000769771102 1078548604 /nfs/dbraw/zinc/54/86/04/1078548604.db2.gz DTEIKGVAHUVIFM-BXBOZWQASA-N 1 2 402.520 2.107 20 0 HEADLO C[NH+](C)CCNC(=O)c1ccc(NS(=O)(=O)c2c[nH]c3cccc(F)c32)cc1 ZINC000769863161 1078586581 /nfs/dbraw/zinc/58/65/81/1078586581.db2.gz RJGQEQCLSFQTRC-UHFFFAOYSA-N 1 2 404.467 2.399 20 0 HEADLO CC(C)(C)OC(=O)CNC(=O)C[NH+]1CCC(O)(c2ccccc2C(F)(F)F)CC1 ZINC000769834981 1078597255 /nfs/dbraw/zinc/59/72/55/1078597255.db2.gz PJZUEHCADNFCQC-UHFFFAOYSA-N 1 2 416.440 2.447 20 0 HEADLO CCN(CC1CCN(C(=O)NCC[N@@H+]2CCO[C@H](C)C2)CC1)C(=O)OC(C)(C)C ZINC000745792139 1078649567 /nfs/dbraw/zinc/64/95/67/1078649567.db2.gz OVMCHCDZYHSANA-QGZVFWFLSA-N 1 2 412.575 2.386 20 0 HEADLO CCN(CC1CCN(C(=O)NCC[N@H+]2CCO[C@H](C)C2)CC1)C(=O)OC(C)(C)C ZINC000745792139 1078649571 /nfs/dbraw/zinc/64/95/71/1078649571.db2.gz OVMCHCDZYHSANA-QGZVFWFLSA-N 1 2 412.575 2.386 20 0 HEADLO O=C(COC(=O)c1ccncc1Cl)NCc1ccccc1C[NH+]1CCOCC1 ZINC000745771142 1078647540 /nfs/dbraw/zinc/64/75/40/1078647540.db2.gz IASQRKLXTUPMQU-UHFFFAOYSA-N 1 2 403.866 2.040 20 0 HEADLO CCC(CC)(CNC(=O)NCC[N@@H+]1CCOC(C)(C)C1)NC(=O)OC(C)(C)C ZINC000745792311 1078649053 /nfs/dbraw/zinc/64/90/53/1078649053.db2.gz BVGSPHXICVOEEV-UHFFFAOYSA-N 1 2 400.564 2.480 20 0 HEADLO CCC(CC)(CNC(=O)NCC[N@H+]1CCOC(C)(C)C1)NC(=O)OC(C)(C)C ZINC000745792311 1078649057 /nfs/dbraw/zinc/64/90/57/1078649057.db2.gz BVGSPHXICVOEEV-UHFFFAOYSA-N 1 2 400.564 2.480 20 0 HEADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC000745803257 1078654009 /nfs/dbraw/zinc/65/40/09/1078654009.db2.gz RFVQYGWQPXVZMD-SJLPKXTDSA-N 1 2 406.527 2.272 20 0 HEADLO C[C@@H]1COCC[N@H+]1CCNC(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC000745803257 1078654011 /nfs/dbraw/zinc/65/40/11/1078654011.db2.gz RFVQYGWQPXVZMD-SJLPKXTDSA-N 1 2 406.527 2.272 20 0 HEADLO C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)c3cccc4[nH+]ccn43)cc2)C[C@H](C)O1 ZINC000770054543 1078707134 /nfs/dbraw/zinc/70/71/34/1078707134.db2.gz BNCWQLDGEVHXON-GJZGRUSLSA-N 1 2 414.487 2.385 20 0 HEADLO CN(C)C(=O)c1cccc(NC(=O)C[N@H+](C)[C@H]2CCN(C(=O)OC(C)(C)C)C2)c1 ZINC000745991376 1078722453 /nfs/dbraw/zinc/72/24/53/1078722453.db2.gz PLHIGWPKZVMHLR-KRWDZBQOSA-N 1 2 404.511 2.268 20 0 HEADLO CN(C)C(=O)c1cccc(NC(=O)C[N@@H+](C)[C@H]2CCN(C(=O)OC(C)(C)C)C2)c1 ZINC000745991376 1078722460 /nfs/dbraw/zinc/72/24/60/1078722460.db2.gz PLHIGWPKZVMHLR-KRWDZBQOSA-N 1 2 404.511 2.268 20 0 HEADLO CCOC1CC(CNC(=O)Nc2ccc(F)c(C(=O)OC)c2)([NH+]2CCOCC2)C1 ZINC000770231938 1078777023 /nfs/dbraw/zinc/77/70/23/1078777023.db2.gz ZGYYVBFEXZKXJK-UHFFFAOYSA-N 1 2 409.458 2.004 20 0 HEADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N(C)Cc1cnn(-c2ccccc2)n1 ZINC000770276009 1078802905 /nfs/dbraw/zinc/80/29/05/1078802905.db2.gz OGTRNUFQPLNGJR-UHFFFAOYSA-N 1 2 407.478 2.471 20 0 HEADLO COC(=O)c1cc(F)c(Br)c(S(=O)(=O)N2C[C@H](C)[N@H+](C)C[C@@H]2C)c1 ZINC000770268818 1078799396 /nfs/dbraw/zinc/79/93/96/1078799396.db2.gz FKOGFZJCBBMYBP-UWVGGRQHSA-N 1 2 423.304 2.088 20 0 HEADLO COC(=O)c1cc(F)c(Br)c(S(=O)(=O)N2C[C@H](C)[N@@H+](C)C[C@@H]2C)c1 ZINC000770268818 1078799403 /nfs/dbraw/zinc/79/94/03/1078799403.db2.gz FKOGFZJCBBMYBP-UWVGGRQHSA-N 1 2 423.304 2.088 20 0 HEADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N1CCCC[C@H]1CN1CCCC1=O ZINC000770275730 1078803165 /nfs/dbraw/zinc/80/31/65/1078803165.db2.gz VIAOACTUUGCNBJ-KRWDZBQOSA-N 1 2 401.511 2.235 20 0 HEADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N1CCC[C@H](N2CCCCC2=O)C1 ZINC000770273550 1078802217 /nfs/dbraw/zinc/80/22/17/1078802217.db2.gz DLAXPACHHHXOIB-KRWDZBQOSA-N 1 2 401.511 2.235 20 0 HEADLO COCC[N@H+](CC(=O)NN1C(=O)NC2(CCC(C)CC2)C1=O)[C@H](C)c1ccccc1 ZINC000746152074 1078807445 /nfs/dbraw/zinc/80/74/45/1078807445.db2.gz YJYLYTCBEZLIMI-PSCUFVCCSA-N 1 2 416.522 2.228 20 0 HEADLO COCC[N@@H+](CC(=O)NN1C(=O)NC2(CCC(C)CC2)C1=O)[C@H](C)c1ccccc1 ZINC000746152074 1078807447 /nfs/dbraw/zinc/80/74/47/1078807447.db2.gz YJYLYTCBEZLIMI-PSCUFVCCSA-N 1 2 416.522 2.228 20 0 HEADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)NCCSCc1ccccc1 ZINC000770253034 1078812738 /nfs/dbraw/zinc/81/27/38/1078812738.db2.gz SFQLQEHSJOLJJN-UHFFFAOYSA-N 1 2 414.531 2.215 20 0 HEADLO O=C(c1cccc2[nH+]ccn21)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000770398826 1078842315 /nfs/dbraw/zinc/84/23/15/1078842315.db2.gz FWGYAWSAOOJSJT-UHFFFAOYSA-N 1 2 402.451 2.010 20 0 HEADLO Cc1ccc(SC[C@H](C)NC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)cc1 ZINC000770404764 1078843078 /nfs/dbraw/zinc/84/30/78/1078843078.db2.gz PHBZOJPOCMFZOX-INIZCTEOSA-N 1 2 413.609 2.284 20 0 HEADLO CCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)c1cccc2[nH+]ccn21 ZINC000770409486 1078844474 /nfs/dbraw/zinc/84/44/74/1078844474.db2.gz SOIBTDUKXDDHAV-UHFFFAOYSA-N 1 2 407.474 2.272 20 0 HEADLO C[N@H+](CC(F)F)C1CCN(C(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)CC1 ZINC000746319604 1078857975 /nfs/dbraw/zinc/85/79/75/1078857975.db2.gz AYAZNROKTDGGOW-UHFFFAOYSA-N 1 2 415.506 2.273 20 0 HEADLO C[N@@H+](CC(F)F)C1CCN(C(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)CC1 ZINC000746319604 1078857976 /nfs/dbraw/zinc/85/79/76/1078857976.db2.gz AYAZNROKTDGGOW-UHFFFAOYSA-N 1 2 415.506 2.273 20 0 HEADLO COc1cc(-n2cnnn2)c(Cl)cc1C(=O)N1CCC([N@H+](C)CC(F)F)CC1 ZINC000746324212 1078859172 /nfs/dbraw/zinc/85/91/72/1078859172.db2.gz MKGCNQPEHGNKTA-UHFFFAOYSA-N 1 2 414.844 2.126 20 0 HEADLO COc1cc(-n2cnnn2)c(Cl)cc1C(=O)N1CCC([N@@H+](C)CC(F)F)CC1 ZINC000746324212 1078859173 /nfs/dbraw/zinc/85/91/73/1078859173.db2.gz MKGCNQPEHGNKTA-UHFFFAOYSA-N 1 2 414.844 2.126 20 0 HEADLO Cc1nc(CNC(=O)[C@@H](C)[NH+]2CCN(c3ccc(F)cc3)CC2)ccc1[C@H](C)O ZINC000770453575 1078860589 /nfs/dbraw/zinc/86/05/89/1078860589.db2.gz YLHUIARSBFAXOI-SJORKVTESA-N 1 2 400.498 2.409 20 0 HEADLO O=C(NC1CCN(c2cccc[nH+]2)CC1)c1cccnc1I ZINC000770475213 1078874271 /nfs/dbraw/zinc/87/42/71/1078874271.db2.gz AFMLHFUHDAZFRZ-UHFFFAOYSA-N 1 2 408.243 2.480 20 0 HEADLO Cc1ccc(C)c(OC2CC[NH+](CN3C(=O)C[C@@H](Cc4cnn(C)c4)C3=O)CC2)c1 ZINC000746373555 1078881420 /nfs/dbraw/zinc/88/14/20/1078881420.db2.gz WFWXNUHKKKCCFS-LJQANCHMSA-N 1 2 410.518 2.455 20 0 HEADLO CCOC(=O)N1CC[C@@H](NC(=O)N2CC[NH+](CCOc3ccc(Cl)cc3)CC2)C1 ZINC000770535916 1078888538 /nfs/dbraw/zinc/88/85/38/1078888538.db2.gz VFOPJZYWAWUDAX-QGZVFWFLSA-N 1 2 424.929 2.277 20 0 HEADLO O=C(Nc1cccc(COc2ccccc2)c1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000746398685 1078896177 /nfs/dbraw/zinc/89/61/77/1078896177.db2.gz GIDNHARJCCFJHX-FQEVSTJZSA-N 1 2 423.513 2.385 20 0 HEADLO CN(C)c1ccc([NH+]2CCC(NC(=O)C(=O)Nc3cnn(C(C)(C)C)c3)CC2)cc1 ZINC000746421906 1078917502 /nfs/dbraw/zinc/91/75/02/1078917502.db2.gz JHMKDVVLPFMLTF-UHFFFAOYSA-N 1 2 412.538 2.428 20 0 HEADLO CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)[C@H](C)[N@@H+]1C[C@@H](O)C[C@H]1CO ZINC000770665468 1078924457 /nfs/dbraw/zinc/92/44/57/1078924457.db2.gz FEHKMTLIQBDORA-BPUTZDHNSA-N 1 2 418.515 2.346 20 0 HEADLO CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)[C@H](C)[N@H+]1C[C@@H](O)C[C@H]1CO ZINC000770665468 1078924464 /nfs/dbraw/zinc/92/44/64/1078924464.db2.gz FEHKMTLIQBDORA-BPUTZDHNSA-N 1 2 418.515 2.346 20 0 HEADLO O=C(c1cccc2[nH+]ccn21)N1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000770658930 1078922631 /nfs/dbraw/zinc/92/26/31/1078922631.db2.gz QPBFNWJNHNNWGV-UHFFFAOYSA-N 1 2 402.451 2.057 20 0 HEADLO C[C@@H]1CC[N@H+](Cn2nc(CCC(N)=O)n(C[C@H]3CCCO3)c2=S)CC12CCC2 ZINC000770671421 1078926877 /nfs/dbraw/zinc/92/68/77/1078926877.db2.gz YTDCPDDDIGDWME-HZPDHXFCSA-N 1 2 407.584 2.481 20 0 HEADLO C[C@@H]1CC[N@@H+](Cn2nc(CCC(N)=O)n(C[C@H]3CCCO3)c2=S)CC12CCC2 ZINC000770671421 1078926880 /nfs/dbraw/zinc/92/68/80/1078926880.db2.gz YTDCPDDDIGDWME-HZPDHXFCSA-N 1 2 407.584 2.481 20 0 HEADLO C[C@H](NC(=O)[C@@H]1CCCN(C(=O)OCc2ccccc2)C1)[C@H](C)[NH+]1CCOCC1 ZINC000766380465 1078930114 /nfs/dbraw/zinc/93/01/14/1078930114.db2.gz SXZHJVVGGFYJQL-CMKODMSKSA-N 1 2 403.523 2.261 20 0 HEADLO CCOC(=O)C1=C(C[NH2+][C@@H](CO)c2ccsc2)NC(=O)N[C@H]1c1ccccc1 ZINC000770686459 1078934776 /nfs/dbraw/zinc/93/47/76/1078934776.db2.gz FYYUTDBMXYLAOF-WMZOPIPTSA-N 1 2 401.488 2.242 20 0 HEADLO COC(=O)NCCCC(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000804270323 1078945894 /nfs/dbraw/zinc/94/58/94/1078945894.db2.gz SDGOIDNBPDSRAK-UHFFFAOYSA-N 1 2 413.272 2.404 20 0 HEADLO COc1cccc(OCC[NH+]2CCN(C(=O)CCOc3cccc(C=O)c3)CC2)c1 ZINC000766409328 1078962705 /nfs/dbraw/zinc/96/27/05/1078962705.db2.gz SSMAGXOCILYYMO-UHFFFAOYSA-N 1 2 412.486 2.500 20 0 HEADLO Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+]([C@H](C)C(=O)Nc3sccc3C(N)=O)C2)nc1 ZINC000746457024 1078995694 /nfs/dbraw/zinc/99/56/94/1078995694.db2.gz IBTYUQCVVHVADA-ZIAGYGMSSA-N 1 2 415.519 2.228 20 0 HEADLO Cc1ccc(NC(=O)[C@@H]2CCC[N@H+]([C@H](C)C(=O)Nc3sccc3C(N)=O)C2)nc1 ZINC000746457024 1078995705 /nfs/dbraw/zinc/99/57/05/1078995705.db2.gz IBTYUQCVVHVADA-ZIAGYGMSSA-N 1 2 415.519 2.228 20 0 HEADLO O=c1c(Br)c(Br)cnn1CN1CCC[C@H](n2cc[nH+]c2)C1 ZINC000738156032 1079008126 /nfs/dbraw/zinc/00/81/26/1079008126.db2.gz ACLIIKKIBMGIIO-JTQLQIEISA-N 1 2 417.105 2.259 20 0 HEADLO CCOC(=O)c1c(C)c2ccccc2nc1CN1CC[NH+](CC[S@](C)=O)CC1 ZINC000746472243 1079021829 /nfs/dbraw/zinc/02/18/29/1079021829.db2.gz CSHAWIMCPGSYEM-NDEPHWFRSA-N 1 2 403.548 2.216 20 0 HEADLO CC[NH+](CC)Cc1nc(C2(NC(=O)C3=NN(CC(C)C)C(=O)CC3)CCCC2)no1 ZINC000766535787 1079071269 /nfs/dbraw/zinc/07/12/69/1079071269.db2.gz NLNOVHSUXBVOAH-UHFFFAOYSA-N 1 2 418.542 2.431 20 0 HEADLO O=C(CN1C(=O)c2ccc(Br)cc2C1=O)OCc1cccc2[nH+]ccn21 ZINC000770922790 1079082191 /nfs/dbraw/zinc/08/21/91/1079082191.db2.gz RUPJQKGDYXEWSY-UHFFFAOYSA-N 1 2 414.215 2.436 20 0 HEADLO COc1ccc(CCN2C[C@H](C(=O)OCc3cccc4[nH+]ccn43)CC2=O)cc1OC ZINC000770927024 1079083661 /nfs/dbraw/zinc/08/36/61/1079083661.db2.gz VQQZYWKTSDFSKG-QGZVFWFLSA-N 1 2 423.469 2.486 20 0 HEADLO CC(C)(C)OC(=O)[C@@H](C1CC1)[NH+]1CCN(c2ccc(NS(C)(=O)=O)cc2)CC1 ZINC001168948935 1079084120 /nfs/dbraw/zinc/08/41/20/1079084120.db2.gz JEEGQNDIGHJCTE-GOSISDBHSA-N 1 2 409.552 2.300 20 0 HEADLO C[C@@H](NC(=O)C[NH+]1CCN(c2ccc(NS(C)(=O)=O)cc2)CC1)c1ccccc1 ZINC001168949523 1079084512 /nfs/dbraw/zinc/08/45/12/1079084512.db2.gz NJRARXMUKWJFSQ-QGZVFWFLSA-N 1 2 416.547 2.058 20 0 HEADLO O=C(N1CCO[C@H](C[NH+]2CCOCC2)C1)C(F)(F)c1ccc(Br)cc1 ZINC001169001825 1079096390 /nfs/dbraw/zinc/09/63/90/1079096390.db2.gz IKRBGTGGLWPADJ-OAHLLOKOSA-N 1 2 419.266 2.101 20 0 HEADLO C[C@]1(c2cccc(Br)c2)C[C@@H]1C(=O)N1CCO[C@H](C[NH+]2CCOCC2)C1 ZINC001169002377 1079096863 /nfs/dbraw/zinc/09/68/63/1079096863.db2.gz MQDCTBNVSATJRT-QWFCFKBJSA-N 1 2 423.351 2.286 20 0 HEADLO O=C(CCc1ccccc1OC(F)(F)F)N1CCO[C@@H](C[NH+]2CCOCC2)C1 ZINC001169003216 1079097375 /nfs/dbraw/zinc/09/73/75/1079097375.db2.gz SROCOQZJPXJCNA-INIZCTEOSA-N 1 2 402.413 2.077 20 0 HEADLO O=C(N1CCO[C@H](C[NH+]2CCOCC2)C1)C1(c2ccc(Br)cc2)CCC1 ZINC001168989512 1079101315 /nfs/dbraw/zinc/10/13/15/1079101315.db2.gz BGNBPYSGTCVSDY-GOSISDBHSA-N 1 2 423.351 2.430 20 0 HEADLO O=C(Cn1cnc2sc(-c3ccccc3)cc2c1=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000771029801 1079109285 /nfs/dbraw/zinc/10/92/85/1079109285.db2.gz BJORNSXXJIWHFL-KRWDZBQOSA-N 1 2 424.526 2.058 20 0 HEADLO COC[C@H]([NH2+][C@H](C)C(=O)Nc1cc(C(=O)OC)ccc1C(=O)OC)c1ccc(C)o1 ZINC001169101447 1079129589 /nfs/dbraw/zinc/12/95/89/1079129589.db2.gz CDEOECLCFFZBRB-DYVFJYSZSA-N 1 2 418.446 2.466 20 0 HEADLO COC(=O)[C@@H]1C[C@@H](NC2=CN3C=Cc4cc(Br)ccc4N3C=C2)C[NH2+]1 ZINC001169132797 1079152096 /nfs/dbraw/zinc/15/20/96/1079152096.db2.gz YTISMBFQSFCOCU-CVEARBPZSA-N 1 2 403.280 2.319 20 0 HEADLO COC(=O)[C@@H]1C[C@@H](Nc2ccc3cc(C(=O)NCc4cccc(OC)c4)[nH]c3c2)C[NH2+]1 ZINC001169135336 1079152611 /nfs/dbraw/zinc/15/26/11/1079152611.db2.gz KWTQWERHFXUPGH-UTKZUKDTSA-N 1 2 422.485 2.422 20 0 HEADLO CCS(=O)(=O)c1cccnc1-n1cc(C[C@](C)([NH3+])C(=O)OC)c2ccccc21 ZINC001169114383 1079161665 /nfs/dbraw/zinc/16/16/65/1079161665.db2.gz YPJPXGXTOGOEIL-FQEVSTJZSA-N 1 2 401.488 2.252 20 0 HEADLO CCOC(=O)c1cnc2c(C)cc(F)cc2c1N1CC[NH+](CC[S@@](C)=O)CC1 ZINC000771144210 1079192676 /nfs/dbraw/zinc/19/26/76/1079192676.db2.gz GAPSVNAPCSJOBQ-MUUNZHRXSA-N 1 2 407.511 2.360 20 0 HEADLO Cc1oc2ccccc2c1CCNC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000766618761 1079195073 /nfs/dbraw/zinc/19/50/73/1079195073.db2.gz YPBGQESOQLIUDD-UHFFFAOYSA-N 1 2 407.536 2.092 20 0 HEADLO O=C(Nc1ccc(SC(F)F)nc1)C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000771230172 1079218899 /nfs/dbraw/zinc/21/88/99/1079218899.db2.gz WQHFDEYUTFXAFL-ZIAGYGMSSA-N 1 2 414.478 2.094 20 0 HEADLO CCCN(C(=O)c1ccccc1NC(=O)C(=O)N1CC[NH+](C2CC2)CC1)C(C)C ZINC000771211215 1079229924 /nfs/dbraw/zinc/22/99/24/1079229924.db2.gz DZWDPIBEHPXSNB-UHFFFAOYSA-N 1 2 400.523 2.192 20 0 HEADLO CS(=O)(=O)N1CC[NH+](CCNc2ccc(OC(F)(F)F)c3ncccc23)CC1 ZINC001169345020 1079233096 /nfs/dbraw/zinc/23/30/96/1079233096.db2.gz MDWKFDNBPHHMOC-UHFFFAOYSA-N 1 2 418.441 2.123 20 0 HEADLO COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)Nc2ccccc2-n2cc[nH+]c2)C1=O ZINC000771253019 1079243907 /nfs/dbraw/zinc/24/39/07/1079243907.db2.gz CAPBLTFEWPBKMO-QFIPXVFZSA-N 1 2 419.441 2.287 20 0 HEADLO CCOC(=O)[C@H]1CC[C@H]([N@@H+]2CCOCC23CCN(C(=O)OC(C)(C)C)CC3)CO1 ZINC001169374598 1079245163 /nfs/dbraw/zinc/24/51/63/1079245163.db2.gz SZEVYZFFGUHFME-DLBZAZTESA-N 1 2 412.527 2.199 20 0 HEADLO CCOC(=O)[C@H]1CC[C@H]([N@H+]2CCOCC23CCN(C(=O)OC(C)(C)C)CC3)CO1 ZINC001169374598 1079245176 /nfs/dbraw/zinc/24/51/76/1079245176.db2.gz SZEVYZFFGUHFME-DLBZAZTESA-N 1 2 412.527 2.199 20 0 HEADLO CCOC(=O)[C@@H]1CC[C@H]([N@@H+]2CCOCC23CCN(C(=O)OC(C)(C)C)CC3)CO1 ZINC001169374600 1079245347 /nfs/dbraw/zinc/24/53/47/1079245347.db2.gz SZEVYZFFGUHFME-IRXDYDNUSA-N 1 2 412.527 2.199 20 0 HEADLO CCOC(=O)[C@@H]1CC[C@H]([N@H+]2CCOCC23CCN(C(=O)OC(C)(C)C)CC3)CO1 ZINC001169374600 1079245357 /nfs/dbraw/zinc/24/53/57/1079245357.db2.gz SZEVYZFFGUHFME-IRXDYDNUSA-N 1 2 412.527 2.199 20 0 HEADLO CCOC(=O)[C@H]1CC[C@@H]([N@@H+]2CCOCC23CCN(C(=O)OC(C)(C)C)CC3)CO1 ZINC001169374599 1079245414 /nfs/dbraw/zinc/24/54/14/1079245414.db2.gz SZEVYZFFGUHFME-IAGOWNOFSA-N 1 2 412.527 2.199 20 0 HEADLO CCOC(=O)[C@H]1CC[C@@H]([N@H+]2CCOCC23CCN(C(=O)OC(C)(C)C)CC3)CO1 ZINC001169374599 1079245428 /nfs/dbraw/zinc/24/54/28/1079245428.db2.gz SZEVYZFFGUHFME-IAGOWNOFSA-N 1 2 412.527 2.199 20 0 HEADLO COc1ccc(OC)c([C@@H](O)CNC(=O)CNc2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC001169443816 1079294489 /nfs/dbraw/zinc/29/44/89/1079294489.db2.gz FVKMALWYJFIPGM-FQEVSTJZSA-N 1 2 410.474 2.210 20 0 HEADLO COc1ccc(OC)c([C@@H](O)CNC(=O)CNc2cc(N(C)C)cc(Cl)[nH+]2)c1 ZINC001169436854 1079302940 /nfs/dbraw/zinc/30/29/40/1079302940.db2.gz ZVWLUBFDRJIIPH-HNNXBMFYSA-N 1 2 408.886 2.080 20 0 HEADLO NC(=O)c1cc(Cl)nnc1N[C@@H]1C[C@H](C(=O)OCc2ccccc2)CCC[NH2+]1 ZINC001169524211 1079322959 /nfs/dbraw/zinc/32/29/59/1079322959.db2.gz WECPNYGNHQYDJV-CZUORRHYSA-N 1 2 403.870 2.100 20 0 HEADLO COc1ccc(C(=O)NC(=O)C[NH+]2CCC3(C[C@@H]3C(=O)N3CCCCC3)CC2)cc1 ZINC000771468549 1079348839 /nfs/dbraw/zinc/34/88/39/1079348839.db2.gz WUGZFHBGFRNRCI-LJQANCHMSA-N 1 2 413.518 2.066 20 0 HEADLO C[C@H](C(=O)Nc1sccc1C(N)=O)[NH+]1CCC2(C[C@@H]2C(=O)N2CCCCC2)CC1 ZINC000771466706 1079362586 /nfs/dbraw/zinc/36/25/86/1079362586.db2.gz HHAUYKTUEWCRDO-GDBMZVCRSA-N 1 2 418.563 2.289 20 0 HEADLO CCCN(C(=O)c1ccccc1NC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1)C(C)C ZINC000771541593 1079375340 /nfs/dbraw/zinc/37/53/40/1079375340.db2.gz GWZOUXLPHUHTTI-GOSISDBHSA-N 1 2 420.554 2.104 20 0 HEADLO O=C(OCc1ccccc1)N1CCCC[C@H]1C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000771561100 1079385459 /nfs/dbraw/zinc/38/54/59/1079385459.db2.gz OAUYOAMGKQCVMQ-PMACEKPBSA-N 1 2 401.507 2.111 20 0 HEADLO NC(=O)c1cc(OC2CC[NH+](CN3C[C@H](c4cccc(F)c4)CC3=O)CC2)ccn1 ZINC000771620557 1079404297 /nfs/dbraw/zinc/40/42/97/1079404297.db2.gz SLZAFIVZHDLVNL-MRXNPFEDSA-N 1 2 412.465 2.136 20 0 HEADLO CCC[C@@H]1CN(S(=O)(=O)c2ccc3nc(Cl)cnc3c2)CC[N@@H+]1CCOC ZINC000766853913 1079441130 /nfs/dbraw/zinc/44/11/30/1079441130.db2.gz NPWAYHSKPZWXIE-CQSZACIVSA-N 1 2 412.943 2.405 20 0 HEADLO CCC[C@@H]1CN(S(=O)(=O)c2ccc3nc(Cl)cnc3c2)CC[N@H+]1CCOC ZINC000766853913 1079441140 /nfs/dbraw/zinc/44/11/40/1079441140.db2.gz NPWAYHSKPZWXIE-CQSZACIVSA-N 1 2 412.943 2.405 20 0 HEADLO CS(=O)(=O)C1CCC(N2Cc3c[nH+]cn3C[C@@H](COc3ccccn3)C2)CC1 ZINC001169884871 1079458379 /nfs/dbraw/zinc/45/83/79/1079458379.db2.gz KQJUDZOSAKHUEU-MUYFXNHWSA-N 1 2 404.536 2.145 20 0 HEADLO CS(=O)(=O)C1CCC([N@@H+]2CCO[C@@H]3[C@@H](COCc4cccnc4)CC[C@H]32)CC1 ZINC001169885691 1079459016 /nfs/dbraw/zinc/45/90/16/1079459016.db2.gz SYVYNNQJAGRCLQ-NMBAIYOOSA-N 1 2 408.564 2.433 20 0 HEADLO CS(=O)(=O)C1CCC([N@H+]2CCO[C@@H]3[C@@H](COCc4cccnc4)CC[C@H]32)CC1 ZINC001169885691 1079459028 /nfs/dbraw/zinc/45/90/28/1079459028.db2.gz SYVYNNQJAGRCLQ-NMBAIYOOSA-N 1 2 408.564 2.433 20 0 HEADLO CCOC(=O)[C@@]1([NH2+]C2CCC(S(C)(=O)=O)CC2)CCN(Cc2ccccc2)C1 ZINC001169863197 1079461780 /nfs/dbraw/zinc/46/17/80/1079461780.db2.gz HBOHLWREKFKPDP-GZNCHQMQSA-N 1 2 408.564 2.140 20 0 HEADLO CC(C)(C)OC(=O)N1CCO[C@H]2C[N@@H+](C3CCC(S(C)(=O)=O)CC3)CC[C@@H]21 ZINC001169876811 1079466149 /nfs/dbraw/zinc/46/61/49/1079466149.db2.gz RSDACETZJCZABG-GQGLESIBSA-N 1 2 402.557 2.052 20 0 HEADLO CC(C)(C)OC(=O)N1CCO[C@H]2C[N@H+](C3CCC(S(C)(=O)=O)CC3)CC[C@@H]21 ZINC001169876811 1079466162 /nfs/dbraw/zinc/46/61/62/1079466162.db2.gz RSDACETZJCZABG-GQGLESIBSA-N 1 2 402.557 2.052 20 0 HEADLO COc1ccc(C(=O)NCCN2CC[NH+](Cc3cccc4nsnc43)CC2)cc1 ZINC000766884541 1079483462 /nfs/dbraw/zinc/48/34/62/1079483462.db2.gz BQFJMUKFEUOLQW-UHFFFAOYSA-N 1 2 411.531 2.248 20 0 HEADLO COc1ccc(C(=O)NCC[NH+]2CCN(Cc3cccc4nsnc43)CC2)cc1 ZINC000766884541 1079483469 /nfs/dbraw/zinc/48/34/69/1079483469.db2.gz BQFJMUKFEUOLQW-UHFFFAOYSA-N 1 2 411.531 2.248 20 0 HEADLO CN(C)S(=O)(=O)c1cnn(C[N@H+](C)CCCc2cc(-c3ccc(F)cc3)no2)c1 ZINC000738040271 1075955670 /nfs/dbraw/zinc/95/56/70/1075955670.db2.gz KAWBFDPNLWNLTE-UHFFFAOYSA-N 1 2 421.498 2.450 20 0 HEADLO CN(C)S(=O)(=O)c1cnn(C[N@@H+](C)CCCc2cc(-c3ccc(F)cc3)no2)c1 ZINC000738040271 1075955675 /nfs/dbraw/zinc/95/56/75/1075955675.db2.gz KAWBFDPNLWNLTE-UHFFFAOYSA-N 1 2 421.498 2.450 20 0 HEADLO CC(C)OCCCNC(=O)C1CC[NH+](CN2C(=O)CN(c3ccccc3)C2=O)CC1 ZINC000738076901 1075958392 /nfs/dbraw/zinc/95/83/92/1075958392.db2.gz QBLOZXZBPUGHGE-UHFFFAOYSA-N 1 2 416.522 2.056 20 0 HEADLO CC[N@H+](C[C@@H]1CCOC1)Cn1nc(N2CCOCC2)n(CC(F)(F)F)c1=S ZINC000738081054 1075958999 /nfs/dbraw/zinc/95/89/99/1075958999.db2.gz JZUJGSNQKPNZNZ-ZDUSSCGKSA-N 1 2 409.478 2.129 20 0 HEADLO CC[N@@H+](C[C@@H]1CCOC1)Cn1nc(N2CCOCC2)n(CC(F)(F)F)c1=S ZINC000738081054 1075959007 /nfs/dbraw/zinc/95/90/07/1075959007.db2.gz JZUJGSNQKPNZNZ-ZDUSSCGKSA-N 1 2 409.478 2.129 20 0 HEADLO C[N@H+](C[C@@H]1CCCO1)CN1C(=O)N[C@@](C)(c2ccc(OC(F)(F)F)cc2)C1=O ZINC000738065667 1075962301 /nfs/dbraw/zinc/96/23/01/1075962301.db2.gz KPULHKCQAZZNBB-YOEHRIQHSA-N 1 2 401.385 2.421 20 0 HEADLO C[N@@H+](C[C@@H]1CCCO1)CN1C(=O)N[C@@](C)(c2ccc(OC(F)(F)F)cc2)C1=O ZINC000738065667 1075962311 /nfs/dbraw/zinc/96/23/11/1075962311.db2.gz KPULHKCQAZZNBB-YOEHRIQHSA-N 1 2 401.385 2.421 20 0 HEADLO C[C@@]1(c2ccc(F)cc2Cl)NC(=O)N(C[NH+]2CCC(C3OCCO3)CC2)C1=O ZINC000738138917 1075968309 /nfs/dbraw/zinc/96/83/09/1075968309.db2.gz TZQFXVVCCCEPIB-IBGZPJMESA-N 1 2 411.861 2.289 20 0 HEADLO C[C@H]1C[N@H+](CN2C(=O)N[C@](C)(c3ccc(OC(F)(F)F)cc3)C2=O)CCCO1 ZINC000738162229 1075971400 /nfs/dbraw/zinc/97/14/00/1075971400.db2.gz PBDHOWUYIXSVNV-YVEFUNNKSA-N 1 2 401.385 2.421 20 0 HEADLO C[C@H]1C[N@@H+](CN2C(=O)N[C@](C)(c3ccc(OC(F)(F)F)cc3)C2=O)CCCO1 ZINC000738162229 1075971409 /nfs/dbraw/zinc/97/14/09/1075971409.db2.gz PBDHOWUYIXSVNV-YVEFUNNKSA-N 1 2 401.385 2.421 20 0 HEADLO C[N@H+](CCN1CCN(C(=O)OC(C)(C)C)CC1)Cc1nc(-c2ccccn2)no1 ZINC000738326308 1075981016 /nfs/dbraw/zinc/98/10/16/1075981016.db2.gz NCDOQJKQOMMXIP-UHFFFAOYSA-N 1 2 402.499 2.116 20 0 HEADLO C[N@@H+](CCN1CCN(C(=O)OC(C)(C)C)CC1)Cc1nc(-c2ccccn2)no1 ZINC000738326308 1075981021 /nfs/dbraw/zinc/98/10/21/1075981021.db2.gz NCDOQJKQOMMXIP-UHFFFAOYSA-N 1 2 402.499 2.116 20 0 HEADLO COC(=O)C1=NOC2(C1)CC[NH+](Cc1nc(COc3ccc(F)cc3)no1)CC2 ZINC000771779026 1079500248 /nfs/dbraw/zinc/50/02/48/1079500248.db2.gz AAGFMQIWISSPPT-UHFFFAOYSA-N 1 2 404.398 2.072 20 0 HEADLO C[C@@H]1COCCN1c1ccc(NC(=O)C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000739070977 1076038083 /nfs/dbraw/zinc/03/80/83/1076038083.db2.gz ZOJUXWLZVCAQJN-LJQANCHMSA-N 1 2 422.529 2.195 20 0 HEADLO COC[C@H]1CC[N@H+](Cn2nc(N3CCOCC3)n(-c3ccccc3C)c2=S)C1 ZINC000739873622 1076084082 /nfs/dbraw/zinc/08/40/82/1076084082.db2.gz SOCHAUBPVYAVBV-KRWDZBQOSA-N 1 2 403.552 2.474 20 0 HEADLO COC[C@H]1CC[N@@H+](Cn2nc(N3CCOCC3)n(-c3ccccc3C)c2=S)C1 ZINC000739873622 1076084092 /nfs/dbraw/zinc/08/40/92/1076084092.db2.gz SOCHAUBPVYAVBV-KRWDZBQOSA-N 1 2 403.552 2.474 20 0 HEADLO CCN(C(=S)NCC(=O)N(C)C)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000740615791 1076206988 /nfs/dbraw/zinc/20/69/88/1076206988.db2.gz BDKSTTJUOTUPHD-UHFFFAOYSA-N 1 2 406.600 2.162 20 0 HEADLO C[C@@H]1C[N@H+](CC(=O)N2CC(=O)Nc3ccccc32)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000740880056 1076280726 /nfs/dbraw/zinc/28/07/26/1076280726.db2.gz SCGWUIYYIBJSCK-CABCVRRESA-N 1 2 402.495 2.207 20 0 HEADLO C[C@@H]1C[N@@H+](CC(=O)N2CC(=O)Nc3ccccc32)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000740880056 1076280737 /nfs/dbraw/zinc/28/07/37/1076280737.db2.gz SCGWUIYYIBJSCK-CABCVRRESA-N 1 2 402.495 2.207 20 0 HEADLO CCNC(=O)NC(=O)COC(=O)[C@@H](c1cccc(C(F)(F)F)c1)[NH+](CC)CC ZINC000741025364 1076341271 /nfs/dbraw/zinc/34/12/71/1076341271.db2.gz FMCWUSTYUWTBQS-OAHLLOKOSA-N 1 2 403.401 2.477 20 0 HEADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)Nc2ccc(F)cc2OCC2CC2)CC1 ZINC000741072247 1076353594 /nfs/dbraw/zinc/35/35/94/1076353594.db2.gz QFDWKQJARJERGW-UHFFFAOYSA-N 1 2 413.515 2.245 20 0 HEADLO O=C(NC[C@@H]1CCCO1)c1ccccc1NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000741176215 1076395987 /nfs/dbraw/zinc/39/59/87/1076395987.db2.gz TVFQLEYZVUYHOI-SIKLNZKXSA-N 1 2 423.513 2.435 20 0 HEADLO O=C(NC[C@@H]1CCCO1)c1ccccc1NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000741176215 1076395992 /nfs/dbraw/zinc/39/59/92/1076395992.db2.gz TVFQLEYZVUYHOI-SIKLNZKXSA-N 1 2 423.513 2.435 20 0 HEADLO O=C(C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)OCC(=O)N1CCc2sccc2C1 ZINC000741354239 1076493529 /nfs/dbraw/zinc/49/35/29/1076493529.db2.gz NAPKUJAEHUSFCX-LJQANCHMSA-N 1 2 414.527 2.467 20 0 HEADLO O=C(C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)OCC(=O)N1CCc2sccc2C1 ZINC000741354239 1076493537 /nfs/dbraw/zinc/49/35/37/1076493537.db2.gz NAPKUJAEHUSFCX-LJQANCHMSA-N 1 2 414.527 2.467 20 0 HEADLO O=C(COC(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1)NC1CCC2(CC1)OCCO2 ZINC000741355738 1076493986 /nfs/dbraw/zinc/49/39/86/1076493986.db2.gz WEKFJXWNGOIOOC-HXUWFJFHSA-N 1 2 416.518 2.386 20 0 HEADLO O=C(COC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1)NC1CCC2(CC1)OCCO2 ZINC000741355738 1076493991 /nfs/dbraw/zinc/49/39/91/1076493991.db2.gz WEKFJXWNGOIOOC-HXUWFJFHSA-N 1 2 416.518 2.386 20 0 HEADLO Nc1nc(COC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)nc(Nc2ccccc2)n1 ZINC000741381709 1076505916 /nfs/dbraw/zinc/50/59/16/1076505916.db2.gz JXRDNPHETZPFBO-GOSISDBHSA-N 1 2 420.473 2.142 20 0 HEADLO Nc1nc(COC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)nc(Nc2ccccc2)n1 ZINC000741381709 1076505922 /nfs/dbraw/zinc/50/59/22/1076505922.db2.gz JXRDNPHETZPFBO-GOSISDBHSA-N 1 2 420.473 2.142 20 0 HEADLO COc1cccc(CNC(=O)[C@H](C)OC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)c1 ZINC000741384546 1076508843 /nfs/dbraw/zinc/50/88/43/1076508843.db2.gz PSOYDXWKOKFIKY-LAUBAEHRSA-N 1 2 412.486 2.144 20 0 HEADLO COc1cccc(CNC(=O)[C@H](C)OC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c1 ZINC000741384546 1076508849 /nfs/dbraw/zinc/50/88/49/1076508849.db2.gz PSOYDXWKOKFIKY-LAUBAEHRSA-N 1 2 412.486 2.144 20 0 HEADLO COc1cccc(Oc2ncccc2CNC(=O)NCC[N@@H+]2CCO[C@H](C)C2)c1 ZINC000741408814 1076513143 /nfs/dbraw/zinc/51/31/43/1076513143.db2.gz QYZUYTZYVXQNQG-MRXNPFEDSA-N 1 2 400.479 2.402 20 0 HEADLO COc1cccc(Oc2ncccc2CNC(=O)NCC[N@H+]2CCO[C@H](C)C2)c1 ZINC000741408814 1076513149 /nfs/dbraw/zinc/51/31/49/1076513149.db2.gz QYZUYTZYVXQNQG-MRXNPFEDSA-N 1 2 400.479 2.402 20 0 HEADLO Cc1cc(C(=O)N[C@@H](C)C[NH+]2CCOCC2)cc(C)c1OCC(=O)N1CCCCC1 ZINC000741672523 1076582291 /nfs/dbraw/zinc/58/22/91/1076582291.db2.gz IODPNXOUDQDPTD-IBGZPJMESA-N 1 2 417.550 2.145 20 0 HEADLO CS(=O)(=O)Nc1cccc2c1CC[N@H+](C[C@H]1CN(c3ccccc3)C(=O)O1)C2 ZINC000741781844 1076625233 /nfs/dbraw/zinc/62/52/33/1076625233.db2.gz DVSOGSCGQRCLJU-KRWDZBQOSA-N 1 2 401.488 2.442 20 0 HEADLO CS(=O)(=O)Nc1cccc2c1CC[N@@H+](C[C@H]1CN(c3ccccc3)C(=O)O1)C2 ZINC000741781844 1076625236 /nfs/dbraw/zinc/62/52/36/1076625236.db2.gz DVSOGSCGQRCLJU-KRWDZBQOSA-N 1 2 401.488 2.442 20 0 HEADLO COC(=O)c1ccc(OC[C@H](O)C[N@@H+]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)cc1 ZINC000741803375 1076642080 /nfs/dbraw/zinc/64/20/80/1076642080.db2.gz AGFRTYPCFPOWIG-NVXWUHKLSA-N 1 2 408.495 2.154 20 0 HEADLO COC(=O)c1ccc(OC[C@H](O)C[N@H+]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)cc1 ZINC000741803375 1076642083 /nfs/dbraw/zinc/64/20/83/1076642083.db2.gz AGFRTYPCFPOWIG-NVXWUHKLSA-N 1 2 408.495 2.154 20 0 HEADLO COC(=O)c1ccc(OC[C@@H](O)C[N@@H+]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)cc1 ZINC000741803377 1076642143 /nfs/dbraw/zinc/64/21/43/1076642143.db2.gz AGFRTYPCFPOWIG-WBVHZDCISA-N 1 2 408.495 2.154 20 0 HEADLO COC(=O)c1ccc(OC[C@@H](O)C[N@H+]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)cc1 ZINC000741803377 1076642145 /nfs/dbraw/zinc/64/21/45/1076642145.db2.gz AGFRTYPCFPOWIG-WBVHZDCISA-N 1 2 408.495 2.154 20 0 HEADLO COC(=O)[C@H](C)C[N@@H+](Cc1ccccc1)CN1C(=O)N[C@@H](Cc2ccccc2)C1=O ZINC000742148658 1076764962 /nfs/dbraw/zinc/76/49/62/1076764962.db2.gz AGHLELKXBIPJDO-XLIONFOSSA-N 1 2 409.486 2.418 20 0 HEADLO COC(=O)[C@H](C)C[N@H+](Cc1ccccc1)CN1C(=O)N[C@@H](Cc2ccccc2)C1=O ZINC000742148658 1076764971 /nfs/dbraw/zinc/76/49/71/1076764971.db2.gz AGHLELKXBIPJDO-XLIONFOSSA-N 1 2 409.486 2.418 20 0 HEADLO C[C@@H]1[C@H](C)SCC[N@@H+]1CN1C(=O)NC2(CCN(C(=O)OC(C)(C)C)CC2)C1=O ZINC000742148755 1076765551 /nfs/dbraw/zinc/76/55/51/1076765551.db2.gz CNYRIQJECBYOEG-KGLIPLIRSA-N 1 2 412.556 2.091 20 0 HEADLO C[C@@H]1[C@H](C)SCC[N@H+]1CN1C(=O)NC2(CCN(C(=O)OC(C)(C)C)CC2)C1=O ZINC000742148755 1076765556 /nfs/dbraw/zinc/76/55/56/1076765556.db2.gz CNYRIQJECBYOEG-KGLIPLIRSA-N 1 2 412.556 2.091 20 0 HEADLO CC(=O)[C@H]1CC(C(=O)N[C@H](C)C2([NH+]3CCOCC3)CCCC2)=NN1c1ccccc1 ZINC000742197214 1076785546 /nfs/dbraw/zinc/78/55/46/1076785546.db2.gz ROSMNHHUDUBGPW-WIYYLYMNSA-N 1 2 412.534 2.360 20 0 HEADLO C[C@@H](c1cccnc1)N1C(=O)C[C@@H]([N@@H+]2CCc3c(cccc3N3CCOC3=O)C2)C1=O ZINC000742267206 1076811610 /nfs/dbraw/zinc/81/16/10/1076811610.db2.gz YHAWMLWUBAQSMR-MGPUTAFESA-N 1 2 420.469 2.285 20 0 HEADLO C[C@@H](c1cccnc1)N1C(=O)C[C@@H]([N@H+]2CCc3c(cccc3N3CCOC3=O)C2)C1=O ZINC000742267206 1076811611 /nfs/dbraw/zinc/81/16/11/1076811611.db2.gz YHAWMLWUBAQSMR-MGPUTAFESA-N 1 2 420.469 2.285 20 0 HEADLO O=S(=O)(/C=C\c1ccc(Br)cc1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000742316232 1076828478 /nfs/dbraw/zinc/82/84/78/1076828478.db2.gz FWUMKKZPJBOGAY-VDTUPGDHSA-N 1 2 415.353 2.404 20 0 HEADLO CN(C)c1ccc([NH+]2CCC(NS(=O)(=O)c3ccc4c(c3)OCCO4)CC2)cc1 ZINC000742317551 1076828794 /nfs/dbraw/zinc/82/87/94/1076828794.db2.gz MEYRPMWKLZTGQZ-UHFFFAOYSA-N 1 2 417.531 2.471 20 0 HEADLO CC(C)=CC(=O)NCc1ccc(C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)cc1 ZINC000742574953 1076852862 /nfs/dbraw/zinc/85/28/62/1076852862.db2.gz OHHSWNFVPUTPHQ-JOCHJYFZSA-N 1 2 417.575 2.207 20 0 HEADLO Cc1cccc(NC(=S)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)c1C ZINC000737464941 1076858385 /nfs/dbraw/zinc/85/83/85/1076858385.db2.gz DGYMFSCISSPLEO-UHFFFAOYSA-N 1 2 412.563 2.449 20 0 HEADLO Cc1cccc(NC(=S)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)c1C ZINC000737464941 1076858386 /nfs/dbraw/zinc/85/83/86/1076858386.db2.gz DGYMFSCISSPLEO-UHFFFAOYSA-N 1 2 412.563 2.449 20 0 HEADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)c1cc(OCc2ccccc2)ccn1 ZINC000742634427 1076859619 /nfs/dbraw/zinc/85/96/19/1076859619.db2.gz PXLPUPMSMSHXAQ-UHFFFAOYSA-N 1 2 407.474 2.442 20 0 HEADLO N=C1NC(=O)[C@H](CC(=O)N2CC[NH+](CCC34CC5CC(CC(C5)C3)C4)CC2)S1 ZINC000742666591 1076862402 /nfs/dbraw/zinc/86/24/02/1076862402.db2.gz ZFQCIEXFZZHMLT-HQHQJUQOSA-N 1 2 404.580 2.294 20 0 HEADLO N=C1NC(=O)C(CC(=O)N2CC[NH+](CCC34CC5CC(CC(C5)C3)C4)CC2)S1 ZINC000742666591 1076862405 /nfs/dbraw/zinc/86/24/05/1076862405.db2.gz ZFQCIEXFZZHMLT-HQHQJUQOSA-N 1 2 404.580 2.294 20 0 HEADLO COc1ccc(S(=O)(=O)C(F)(F)F)cc1NC(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000743134851 1076972118 /nfs/dbraw/zinc/97/21/18/1076972118.db2.gz HGGNQPXOWNVTDS-LBPRGKRZSA-N 1 2 419.425 2.467 20 0 HEADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)Nc1cc(Cl)ccc1OCCS(C)(=O)=O ZINC000743238037 1077011275 /nfs/dbraw/zinc/01/12/75/1077011275.db2.gz LYPLYCBFMZGGMC-LBPRGKRZSA-N 1 2 400.888 2.170 20 0 HEADLO Cc1ccc(N2CCOC2=O)cc1NC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000743239755 1077011715 /nfs/dbraw/zinc/01/17/15/1077011715.db2.gz UQAGAQIFEGXSOI-FQEVSTJZSA-N 1 2 420.535 2.281 20 0 HEADLO O=C(C[NH+]1CCN(c2ccccn2)CC1)N1CCC([C@H](O)c2ccc(F)cc2)CC1 ZINC000743339343 1077026178 /nfs/dbraw/zinc/02/61/78/1077026178.db2.gz PJXYJBRWALWWCJ-HSZRJFAPSA-N 1 2 412.509 2.315 20 0 HEADLO C[C@@H]1C[NH+](CN2C(=O)NC3(CCN(C(=O)OC(C)(C)C)CC3)C2=O)C[C@@H](C)S1 ZINC000743374517 1077031855 /nfs/dbraw/zinc/03/18/55/1077031855.db2.gz DDXHPYCPZCFWBH-ZIAGYGMSSA-N 1 2 412.556 2.091 20 0 HEADLO COCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](Cn2c3ccc(C(=O)C(C)C)cc3oc2=O)C1 ZINC000743359660 1077031879 /nfs/dbraw/zinc/03/18/79/1077031879.db2.gz VSSRSHXZBVJXGI-WBVHZDCISA-N 1 2 417.506 2.254 20 0 HEADLO COCCNC(=O)[C@H]1CC[C@@H](C)[N@@H+](Cn2c3ccc(C(=O)C(C)C)cc3oc2=O)C1 ZINC000743359660 1077031885 /nfs/dbraw/zinc/03/18/85/1077031885.db2.gz VSSRSHXZBVJXGI-WBVHZDCISA-N 1 2 417.506 2.254 20 0 HEADLO C[C@@]1(c2ccc(F)cc2Cl)NC(=O)N(CN2CCC[C@@H]2C[NH+]2CCOCC2)C1=O ZINC000743373837 1077035236 /nfs/dbraw/zinc/03/52/36/1077035236.db2.gz COMFSQXYQMNDJK-QRWLVFNGSA-N 1 2 424.904 2.000 20 0 HEADLO C[C@@]1(c2ccc(F)cc2Cl)NC(=O)N(C[N@@H+]2CCC[C@@H]2CN2CCOCC2)C1=O ZINC000743373837 1077035240 /nfs/dbraw/zinc/03/52/40/1077035240.db2.gz COMFSQXYQMNDJK-QRWLVFNGSA-N 1 2 424.904 2.000 20 0 HEADLO C[C@@]1(c2ccc(F)cc2Cl)NC(=O)N(C[N@H+]2CCC[C@@H]2CN2CCOCC2)C1=O ZINC000743373837 1077035244 /nfs/dbraw/zinc/03/52/44/1077035244.db2.gz COMFSQXYQMNDJK-QRWLVFNGSA-N 1 2 424.904 2.000 20 0 HEADLO C[C@]1(c2ccc3ccccc3c2)NC(=O)N(CN2CCC[C@H]2C[NH+]2CCOCC2)C1=O ZINC000743374765 1077035608 /nfs/dbraw/zinc/03/56/08/1077035608.db2.gz PUEZOKWPPUSLQP-XUZZJYLKSA-N 1 2 422.529 2.361 20 0 HEADLO CC[C@H]1C[N@H+](CN2C(=O)NC3(CCN(C(=O)OC(C)(C)C)CC3)C2=O)CCS1 ZINC000743400235 1077042686 /nfs/dbraw/zinc/04/26/86/1077042686.db2.gz LSFCAEXBAYSPBX-AWEZNQCLSA-N 1 2 412.556 2.093 20 0 HEADLO CC[C@H]1C[N@@H+](CN2C(=O)NC3(CCN(C(=O)OC(C)(C)C)CC3)C2=O)CCS1 ZINC000743400235 1077042694 /nfs/dbraw/zinc/04/26/94/1077042694.db2.gz LSFCAEXBAYSPBX-AWEZNQCLSA-N 1 2 412.556 2.093 20 0 HEADLO CC[C@]1(c2ccc(Cl)cc2)NC(=O)N(C[N@@H+]2CCC[C@@H]2CN2CCOCC2)C1=O ZINC000743376689 1077044503 /nfs/dbraw/zinc/04/45/03/1077044503.db2.gz ZHJYAOLJRUSGDL-WIYYLYMNSA-N 1 2 420.941 2.251 20 0 HEADLO CC[C@]1(c2ccc(Cl)cc2)NC(=O)N(C[N@H+]2CCC[C@@H]2CN2CCOCC2)C1=O ZINC000743376689 1077044509 /nfs/dbraw/zinc/04/45/09/1077044509.db2.gz ZHJYAOLJRUSGDL-WIYYLYMNSA-N 1 2 420.941 2.251 20 0 HEADLO CC[C@]1(c2ccc(Cl)cc2)NC(=O)N(CN2CCC[C@@H]2C[NH+]2CCOCC2)C1=O ZINC000743376689 1077044517 /nfs/dbraw/zinc/04/45/17/1077044517.db2.gz ZHJYAOLJRUSGDL-WIYYLYMNSA-N 1 2 420.941 2.251 20 0 HEADLO O=C(NCC[C@@H](O)c1ccccc1)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000743565023 1077069811 /nfs/dbraw/zinc/06/98/11/1077069811.db2.gz RTFAZTZNJSJLKF-JOCHJYFZSA-N 1 2 413.518 2.321 20 0 HEADLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)N[C@H]1CC(=O)N(CCOc2ccccc2)C1 ZINC000743565325 1077069852 /nfs/dbraw/zinc/06/98/52/1077069852.db2.gz WPUVIQBBUASBQV-IBGZPJMESA-N 1 2 419.485 2.351 20 0 HEADLO COC(=O)N1CCC[C@H](NC(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)C1 ZINC000743583388 1077073007 /nfs/dbraw/zinc/07/30/07/1077073007.db2.gz PBAHGHDSSCTURG-KRWDZBQOSA-N 1 2 403.527 2.251 20 0 HEADLO CCc1nc(C)c([C@@H](C)N(C)C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)s1 ZINC000743601792 1077078787 /nfs/dbraw/zinc/07/87/87/1077078787.db2.gz JAQBJWQUBWWXCD-CQSZACIVSA-N 1 2 416.613 2.225 20 0 HEADLO CC(C)(C)OC(=O)N[C@@H](Cc1cn(Cc2ccccc2)c[nH+]1)C(=O)NCC(C)(C)O ZINC000743766355 1077119451 /nfs/dbraw/zinc/11/94/51/1077119451.db2.gz CYUHPYCLWPGOQL-SFHVURJKSA-N 1 2 416.522 2.254 20 0 HEADLO C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@@H+]1CCc2c(cccc2N2CCOC2=O)C1 ZINC000743858443 1077145251 /nfs/dbraw/zinc/14/52/51/1077145251.db2.gz XPVLBBHJQCFZET-QAPCUYQASA-N 1 2 414.506 2.406 20 0 HEADLO C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@H+]1CCc2c(cccc2N2CCOC2=O)C1 ZINC000743858443 1077145264 /nfs/dbraw/zinc/14/52/64/1077145264.db2.gz XPVLBBHJQCFZET-QAPCUYQASA-N 1 2 414.506 2.406 20 0 HEADLO CC(=O)N/C(=C\c1ccccc1)C(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000743937248 1077229147 /nfs/dbraw/zinc/22/91/47/1077229147.db2.gz NGORXELXVGSUJR-XLNRJJMWSA-N 1 2 423.513 2.191 20 0 HEADLO COC(=O)c1cccc(NC(=O)C(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)c1 ZINC000743944074 1077238713 /nfs/dbraw/zinc/23/87/13/1077238713.db2.gz BKCCNUIGFWKNCS-UHFFFAOYSA-N 1 2 424.501 2.263 20 0 HEADLO Cc1ccc(N2CCC[C@H](NC(=O)C(=O)Nc3cccc(-n4cc[nH+]c4)c3)C2=O)cc1 ZINC000743955269 1077263170 /nfs/dbraw/zinc/26/31/70/1077263170.db2.gz IPULIRMQBXJOMW-FQEVSTJZSA-N 1 2 417.469 2.431 20 0 HEADLO CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)N[C@H]3CC[C@@H](SC)C3)cc2)CC1 ZINC000743968791 1077273078 /nfs/dbraw/zinc/27/30/78/1077273078.db2.gz SMDLYDODZOYPSY-RBUKOAKNSA-N 1 2 404.580 2.163 20 0 HEADLO CC(C)Cc1cc(NC(=O)C(=O)N[C@H](Cc2[nH+]ccn2C)c2ccccc2)n(C)n1 ZINC000743985456 1077296608 /nfs/dbraw/zinc/29/66/08/1077296608.db2.gz HOCJSSDWCPTHJQ-GOSISDBHSA-N 1 2 408.506 2.391 20 0 HEADLO COc1ccc(CC(N)=[NH+]OCC(=O)Nc2ccc3c(c2)OCCO3)cc1OC ZINC000744185196 1077336964 /nfs/dbraw/zinc/33/69/64/1077336964.db2.gz OERJHFHVAMICNR-UHFFFAOYSA-N 1 2 401.419 2.155 20 0 HEADLO CCCCOC(=O)c1ccc(NC(=O)C[N@@H+]2CCC[C@@H](N3CCNC3=O)C2)cc1 ZINC000744201247 1077339179 /nfs/dbraw/zinc/33/91/79/1077339179.db2.gz XPWQRYZQHWXKLL-GOSISDBHSA-N 1 2 402.495 2.072 20 0 HEADLO CCCCOC(=O)c1ccc(NC(=O)C[N@H+]2CCC[C@@H](N3CCNC3=O)C2)cc1 ZINC000744201247 1077339185 /nfs/dbraw/zinc/33/91/85/1077339185.db2.gz XPWQRYZQHWXKLL-GOSISDBHSA-N 1 2 402.495 2.072 20 0 HEADLO CS(=O)(=O)c1ccc([C@H](O)C[NH+]2CCC(NC(=O)C3CCCCC3)CC2)cc1 ZINC000744220119 1077343376 /nfs/dbraw/zinc/34/33/76/1077343376.db2.gz QTJGMOXVQBLEPH-HXUWFJFHSA-N 1 2 408.564 2.284 20 0 HEADLO O=C(C[N@@H+]1CCc2c(cccc2N2CCOC2=O)C1)NCc1ccc2c(c1)OCO2 ZINC000744413689 1077378025 /nfs/dbraw/zinc/37/80/25/1077378025.db2.gz DZGCUZZSROKTJG-UHFFFAOYSA-N 1 2 409.442 2.046 20 0 HEADLO O=C(C[N@H+]1CCc2c(cccc2N2CCOC2=O)C1)NCc1ccc2c(c1)OCO2 ZINC000744413689 1077378029 /nfs/dbraw/zinc/37/80/29/1077378029.db2.gz DZGCUZZSROKTJG-UHFFFAOYSA-N 1 2 409.442 2.046 20 0 HEADLO CC(C)[C@@H]1C[N@H+](CC(=O)Nc2cccc(S(=O)(=O)NC3=NCCC3)c2)CCS1 ZINC000744422796 1077385965 /nfs/dbraw/zinc/38/59/65/1077385965.db2.gz UMHOQKWQEBAFHZ-KRWDZBQOSA-N 1 2 424.592 2.169 20 0 HEADLO CC(C)[C@@H]1C[N@@H+](CC(=O)Nc2cccc(S(=O)(=O)NC3=NCCC3)c2)CCS1 ZINC000744422796 1077385970 /nfs/dbraw/zinc/38/59/70/1077385970.db2.gz UMHOQKWQEBAFHZ-KRWDZBQOSA-N 1 2 424.592 2.169 20 0 HEADLO CCc1ccc(N2CC[NH+]([C@H](C)C(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2)cc1 ZINC000744422721 1077386387 /nfs/dbraw/zinc/38/63/87/1077386387.db2.gz QVSZLJGYOOPTCL-MRXNPFEDSA-N 1 2 416.547 2.046 20 0 HEADLO COc1ccc(OCC[N@H+](C)CN2CC3(CN(C(=O)OC(C)(C)C)C3)CC2=O)cc1 ZINC000744431343 1077391544 /nfs/dbraw/zinc/39/15/44/1077391544.db2.gz HGLOPZDQOPVLKA-UHFFFAOYSA-N 1 2 419.522 2.433 20 0 HEADLO COc1ccc(OCC[N@@H+](C)CN2CC3(CN(C(=O)OC(C)(C)C)C3)CC2=O)cc1 ZINC000744431343 1077391554 /nfs/dbraw/zinc/39/15/54/1077391554.db2.gz HGLOPZDQOPVLKA-UHFFFAOYSA-N 1 2 419.522 2.433 20 0 HEADLO CCOC(=O)N1CCN(C(=O)N[C@@H](c2ccc(Cl)cc2)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000766321934 1077436561 /nfs/dbraw/zinc/43/65/61/1077436561.db2.gz SVWGABJBKZLNNH-MSOLQXFVSA-N 1 2 424.929 2.195 20 0 HEADLO CCOC(=O)N1CCN(C(=O)N[C@@H](c2ccc(Cl)cc2)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000766321934 1077436565 /nfs/dbraw/zinc/43/65/65/1077436565.db2.gz SVWGABJBKZLNNH-MSOLQXFVSA-N 1 2 424.929 2.195 20 0 HEADLO C[N@@H+]1CCO[C@@H]([C@H](NC(=O)N2CCC3(CC2)OCCO3)c2ccc(Cl)cc2)C1 ZINC000766319638 1077443058 /nfs/dbraw/zinc/44/30/58/1077443058.db2.gz OSRDWZKLXVKFBH-QZTJIDSGSA-N 1 2 409.914 2.260 20 0 HEADLO C[N@H+]1CCO[C@@H]([C@H](NC(=O)N2CCC3(CC2)OCCO3)c2ccc(Cl)cc2)C1 ZINC000766319638 1077443070 /nfs/dbraw/zinc/44/30/70/1077443070.db2.gz OSRDWZKLXVKFBH-QZTJIDSGSA-N 1 2 409.914 2.260 20 0 HEADLO CN(C(=O)C1CC[NH+](Cc2nccn2C)CC1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000744669719 1077535348 /nfs/dbraw/zinc/53/53/48/1077535348.db2.gz CJSFNKDBDFZBDH-QGZVFWFLSA-N 1 2 405.543 2.100 20 0 HEADLO CN(C(=O)C1CC[NH+](Cc2nccn2C)CC1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000744669718 1077535431 /nfs/dbraw/zinc/53/54/31/1077535431.db2.gz CJSFNKDBDFZBDH-KRWDZBQOSA-N 1 2 405.543 2.100 20 0 HEADLO C[C@@H]1CC[N@H+](CCNC(=O)c2ccc3c(c2)[nH]c(=S)n(Cc2ccco2)c3=O)C1 ZINC000744798833 1077597629 /nfs/dbraw/zinc/59/76/29/1077597629.db2.gz HKUMVPQDWDDHIL-CQSZACIVSA-N 1 2 412.515 2.398 20 0 HEADLO C[C@@H]1CC[N@@H+](CCNC(=O)c2ccc3c(c2)[nH]c(=S)n(Cc2ccco2)c3=O)C1 ZINC000744798833 1077597632 /nfs/dbraw/zinc/59/76/32/1077597632.db2.gz HKUMVPQDWDDHIL-CQSZACIVSA-N 1 2 412.515 2.398 20 0 HEADLO COc1ccccc1NCC(=O)OCC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000745016146 1077706479 /nfs/dbraw/zinc/70/64/79/1077706479.db2.gz HFFSCPMWONMLBW-UHFFFAOYSA-N 1 2 403.504 2.056 20 0 HEADLO CC[N@@H+]1CCCC[C@H]1C(=O)OCC(=O)Nc1cccc(C(=O)N2CCSCC2)c1 ZINC000745089243 1077725639 /nfs/dbraw/zinc/72/56/39/1077725639.db2.gz QCIYHOZULBSGOF-SFHVURJKSA-N 1 2 419.547 2.232 20 0 HEADLO CC[N@H+]1CCCC[C@H]1C(=O)OCC(=O)Nc1cccc(C(=O)N2CCSCC2)c1 ZINC000745089243 1077725664 /nfs/dbraw/zinc/72/56/64/1077725664.db2.gz QCIYHOZULBSGOF-SFHVURJKSA-N 1 2 419.547 2.232 20 0 HEADLO CC[N@H+](C)[C@H](C(=O)OCC(=O)Nc1cccc(S(C)(=O)=O)c1)c1ccccc1 ZINC000745098148 1077729953 /nfs/dbraw/zinc/72/99/53/1077729953.db2.gz ANVNKIXCSNPEDQ-IBGZPJMESA-N 1 2 404.488 2.265 20 0 HEADLO CC[N@@H+](C)[C@H](C(=O)OCC(=O)Nc1cccc(S(C)(=O)=O)c1)c1ccccc1 ZINC000745098148 1077729962 /nfs/dbraw/zinc/72/99/62/1077729962.db2.gz ANVNKIXCSNPEDQ-IBGZPJMESA-N 1 2 404.488 2.265 20 0 HEADLO Cc1cc([C@@](C)(O)CNC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)c(C)o1 ZINC000745289049 1077803880 /nfs/dbraw/zinc/80/38/80/1077803880.db2.gz DUJXDZCCBJLERF-UGKGYDQZSA-N 1 2 401.507 2.304 20 0 HEADLO Cc1cc([C@@](C)(O)CNC(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c(C)o1 ZINC000745289049 1077803881 /nfs/dbraw/zinc/80/38/81/1077803881.db2.gz DUJXDZCCBJLERF-UGKGYDQZSA-N 1 2 401.507 2.304 20 0 HEADLO CC(C)(C)OC(=O)NC(C)(C)CNC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000745289417 1077804271 /nfs/dbraw/zinc/80/42/71/1077804271.db2.gz KEKJNBPDWBBNIP-SFHVURJKSA-N 1 2 420.554 2.490 20 0 HEADLO CC(C)(C)OC(=O)NC(C)(C)CNC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000745289417 1077804272 /nfs/dbraw/zinc/80/42/72/1077804272.db2.gz KEKJNBPDWBBNIP-SFHVURJKSA-N 1 2 420.554 2.490 20 0 HEADLO CC(C)n1ccc(CC(=O)OCC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)n1 ZINC000745320918 1077807222 /nfs/dbraw/zinc/80/72/22/1077807222.db2.gz QDAJDWVJZHSOKG-UHFFFAOYSA-N 1 2 400.479 2.021 20 0 HEADLO CCn1nc(C)c(C(=O)OCC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)c1Cl ZINC000745361753 1077814748 /nfs/dbraw/zinc/81/47/48/1077814748.db2.gz QAABOFRSPKUWSP-UHFFFAOYSA-N 1 2 420.897 2.493 20 0 HEADLO Cc1cccn2cc(CCNS(=O)(=O)CCNC(=O)OCc3ccccc3)[nH+]c12 ZINC000771772300 1079524967 /nfs/dbraw/zinc/52/49/67/1079524967.db2.gz DWNVJSFWLMTSPG-UHFFFAOYSA-N 1 2 416.503 2.031 20 0 HEADLO COc1cc2nc(C[N@@H+]3CCC[C@H]3C[C@@H](O)c3cnn(C)c3)[nH]c(=O)c2cc1OC ZINC000766947262 1079538536 /nfs/dbraw/zinc/53/85/36/1079538536.db2.gz SCSYRMYTYXZOAR-WMLDXEAASA-N 1 2 413.478 2.174 20 0 HEADLO COc1cc2nc(C[N@H+]3CCC[C@H]3C[C@@H](O)c3cnn(C)c3)[nH]c(=O)c2cc1OC ZINC000766947262 1079538553 /nfs/dbraw/zinc/53/85/53/1079538553.db2.gz SCSYRMYTYXZOAR-WMLDXEAASA-N 1 2 413.478 2.174 20 0 HEADLO C[C@@H](C(=O)Nc1ccc(N2CCOCC2)cc1)[NH+]1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000767019144 1079592829 /nfs/dbraw/zinc/59/28/29/1079592829.db2.gz GBPYINKRJAXBDJ-KBXCAEBGSA-N 1 2 415.456 2.485 20 0 HEADLO Cn1ccnc1[C@@H](O)C1CCN(C(=O)NCc2ccccc2Cn2cc[nH+]c2)CC1 ZINC000771953191 1079600053 /nfs/dbraw/zinc/60/00/53/1079600053.db2.gz PCMLPMZKVJHNJO-FQEVSTJZSA-N 1 2 408.506 2.320 20 0 HEADLO Cc1c(C(=O)OCC(=O)N2CC[NH+](Cc3ccsc3)CC2)cnn1CC(C)C ZINC000767026385 1079610772 /nfs/dbraw/zinc/61/07/72/1079610772.db2.gz KPQBDWBHZJFWAW-UHFFFAOYSA-N 1 2 404.536 2.410 20 0 HEADLO CN(C)S(=O)(=O)c1ccc(C[N@H+](C)[C@@H](CO)c2cccc(Br)c2)o1 ZINC000767057321 1079631802 /nfs/dbraw/zinc/63/18/02/1079631802.db2.gz XRCRRNGPRQRJRB-HNNXBMFYSA-N 1 2 417.325 2.458 20 0 HEADLO CN(C)S(=O)(=O)c1ccc(C[N@@H+](C)[C@@H](CO)c2cccc(Br)c2)o1 ZINC000767057321 1079631823 /nfs/dbraw/zinc/63/18/23/1079631823.db2.gz XRCRRNGPRQRJRB-HNNXBMFYSA-N 1 2 417.325 2.458 20 0 HEADLO Cc1cc[nH+]c(N2CCN(CC(=O)Nc3sc4c(c3C(N)=O)CCCC4)CC2)c1 ZINC000767068119 1079639472 /nfs/dbraw/zinc/63/94/72/1079639472.db2.gz JRDIUIYWUHCFNO-UHFFFAOYSA-N 1 2 413.547 2.190 20 0 HEADLO C[N@H+](CC(=O)O[C@@H](C(N)=O)c1ccc(Br)cc1F)[C@H]1CCSC1 ZINC000767112674 1079665462 /nfs/dbraw/zinc/66/54/62/1079665462.db2.gz RWRSFDKFTFHOIN-IINYFYTJSA-N 1 2 405.289 2.095 20 0 HEADLO C[N@@H+](CC(=O)O[C@@H](C(N)=O)c1ccc(Br)cc1F)[C@H]1CCSC1 ZINC000767112674 1079665476 /nfs/dbraw/zinc/66/54/76/1079665476.db2.gz RWRSFDKFTFHOIN-IINYFYTJSA-N 1 2 405.289 2.095 20 0 HEADLO C[C@@H](OC(=O)C[N@H+](C)[C@H]1CCSC1)C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000772045995 1079667743 /nfs/dbraw/zinc/66/77/43/1079667743.db2.gz FGXUZJADMSNGBT-PBHICJAKSA-N 1 2 405.520 2.121 20 0 HEADLO C[C@@H](OC(=O)C[N@@H+](C)[C@H]1CCSC1)C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000772045995 1079667747 /nfs/dbraw/zinc/66/77/47/1079667747.db2.gz FGXUZJADMSNGBT-PBHICJAKSA-N 1 2 405.520 2.121 20 0 HEADLO O=C(NCc1ccccc1OCC[NH+]1CCOCC1)N[C@@H](CCO)c1cccs1 ZINC000741083779 1079668542 /nfs/dbraw/zinc/66/85/42/1079668542.db2.gz ZDSGTQVENZLSGN-SFHVURJKSA-N 1 2 419.547 2.382 20 0 HEADLO CCOC1CC(CNC(=O)c2c(C)c3ccccc3oc2=O)([NH+]2CCOCC2)C1 ZINC000767174759 1079708793 /nfs/dbraw/zinc/70/87/93/1079708793.db2.gz CTZGPWNCWMHKBH-UHFFFAOYSA-N 1 2 400.475 2.101 20 0 HEADLO CCOC1CC(CNC(=O)/C=C\c2ccc(OC)c(OC)c2)([NH+]2CCOCC2)C1 ZINC000767175763 1079710077 /nfs/dbraw/zinc/71/00/77/1079710077.db2.gz OVAHFNPCPVPMPL-VURMDHGXSA-N 1 2 404.507 2.103 20 0 HEADLO CN(C)CCS(=O)(=O)c1ccccc1C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000767184575 1079725027 /nfs/dbraw/zinc/72/50/27/1079725027.db2.gz UODTVSBMZYTVLI-UHFFFAOYSA-N 1 2 412.515 2.138 20 0 HEADLO COc1ccc(C(=O)NCc2cccc(OCC[NH+]3CCOCC3)c2)nc1Cl ZINC000767318865 1079816234 /nfs/dbraw/zinc/81/62/34/1079816234.db2.gz BJSNWEBFLPREHD-UHFFFAOYSA-N 1 2 405.882 2.385 20 0 HEADLO NC(=O)c1cc(OC2CC[NH+]([C@H](C(=O)NC3CC3)c3ccc(F)cc3)CC2)ccn1 ZINC000772333268 1079827756 /nfs/dbraw/zinc/82/77/56/1079827756.db2.gz PRSJMZOXBWHZIW-FQEVSTJZSA-N 1 2 412.465 2.183 20 0 HEADLO COc1cccc(/C=C(/C(=O)NCCc2cn3cccc(C)c3[nH+]2)n2nnnc2C)c1 ZINC000746538809 1079864227 /nfs/dbraw/zinc/86/42/27/1079864227.db2.gz BRTNGELLJCIGEE-MOSHPQCFSA-N 1 2 417.473 2.303 20 0 HEADLO CCOC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)NCCc2cn3cccc(C)c3[nH+]2)C1 ZINC000746539361 1079872640 /nfs/dbraw/zinc/87/26/40/1079872640.db2.gz HZRWEQUYHRRYOP-HXUWFJFHSA-N 1 2 419.485 2.499 20 0 HEADLO Cc1ccc([C@]2(C)NC(=O)N(CC(=O)NCCc3cn4cccc(C)c4[nH+]3)C2=O)cc1 ZINC000746539975 1079877599 /nfs/dbraw/zinc/87/75/99/1079877599.db2.gz NZUDXJLZPJFWBW-QHCPKHFHSA-N 1 2 419.485 2.077 20 0 HEADLO O=C(OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)[C@@H]1CS[C@]2(c3ccc(F)cc3)CCC(=O)N12 ZINC000767456207 1079882258 /nfs/dbraw/zinc/88/22/58/1079882258.db2.gz CRVOMFPVJAADNQ-NYUBLWNDSA-N 1 2 420.506 2.123 20 0 HEADLO O=C(OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)[C@@H]1CS[C@]2(c3ccc(F)cc3)CCC(=O)N12 ZINC000767456207 1079882260 /nfs/dbraw/zinc/88/22/60/1079882260.db2.gz CRVOMFPVJAADNQ-NYUBLWNDSA-N 1 2 420.506 2.123 20 0 HEADLO O=C(COC(=O)c1ccn(Cc2ccccc2)n1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000772467072 1079891159 /nfs/dbraw/zinc/89/11/59/1079891159.db2.gz FJQOBHSQQJUQOJ-UHFFFAOYSA-N 1 2 424.526 2.494 20 0 HEADLO COc1ccc(Cl)cc1C(=O)N1CCC[C@H]1C(=O)OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000767485836 1079901757 /nfs/dbraw/zinc/90/17/57/1079901757.db2.gz VGTGOHCPGHXJJO-JZXOWHBKSA-N 1 2 422.909 2.360 20 0 HEADLO COc1ccc(Cl)cc1C(=O)N1CCC[C@H]1C(=O)OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000767485836 1079901772 /nfs/dbraw/zinc/90/17/72/1079901772.db2.gz VGTGOHCPGHXJJO-JZXOWHBKSA-N 1 2 422.909 2.360 20 0 HEADLO O=C(CCOc1ccccc1)N1CCC(C(=O)OCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000767506042 1079908798 /nfs/dbraw/zinc/90/87/98/1079908798.db2.gz ODVCSBZXBFANCR-OYRHEFFESA-N 1 2 416.518 2.101 20 0 HEADLO O=C(CCOc1ccccc1)N1CCC(C(=O)OCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000767506042 1079908805 /nfs/dbraw/zinc/90/88/05/1079908805.db2.gz ODVCSBZXBFANCR-OYRHEFFESA-N 1 2 416.518 2.101 20 0 HEADLO CCOc1cc(NC2CC[NH+](CN3C(=O)N[C@@](CC)(C(C)C)C3=O)CC2)ncn1 ZINC000767526143 1079919576 /nfs/dbraw/zinc/91/95/76/1079919576.db2.gz WKNYIZRCXMBDDU-FQEVSTJZSA-N 1 2 404.515 2.066 20 0 HEADLO C[C@H]1CC[N@@H+]([C@H]2C[C@@H](C(=O)N3CCSC3)N(C(=O)OC(C)(C)C)C2)CCC1=O ZINC001170044556 1079923688 /nfs/dbraw/zinc/92/36/88/1079923688.db2.gz QXFUYFMHFFVMGC-JYJNAYRXSA-N 1 2 411.568 2.198 20 0 HEADLO C[C@H]1CC[N@H+]([C@H]2C[C@@H](C(=O)N3CCSC3)N(C(=O)OC(C)(C)C)C2)CCC1=O ZINC001170044556 1079923697 /nfs/dbraw/zinc/92/36/97/1079923697.db2.gz QXFUYFMHFFVMGC-JYJNAYRXSA-N 1 2 411.568 2.198 20 0 HEADLO Cc1ccc(NC(=O)COC(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)cc1C ZINC000767535050 1079935305 /nfs/dbraw/zinc/93/53/05/1079935305.db2.gz AEHMLDAYYOGYRP-UHFFFAOYSA-N 1 2 424.501 2.309 20 0 HEADLO CC(C)c1noc([C@@H](C)OC(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)n1 ZINC000767536205 1079935943 /nfs/dbraw/zinc/93/59/43/1079935943.db2.gz FUXMNWWHOQOHNU-OAHLLOKOSA-N 1 2 401.467 2.321 20 0 HEADLO O=C(CCC(=O)N1CCN(c2cccc[nH+]2)CC1)OCc1ccn(-c2ccccc2)n1 ZINC000767540238 1079941869 /nfs/dbraw/zinc/94/18/69/1079941869.db2.gz WKTCDVGDECVHLX-UHFFFAOYSA-N 1 2 419.485 2.440 20 0 HEADLO C[C@H]1CN(c2ccc(NC(=O)CN3CC[NH+](Cc4ccncc4)CC3)cc2)C[C@H](C)O1 ZINC000767539603 1079943063 /nfs/dbraw/zinc/94/30/63/1079943063.db2.gz FJNLKBIZPABEKQ-PMACEKPBSA-N 1 2 423.561 2.452 20 0 HEADLO CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000767542305 1079946822 /nfs/dbraw/zinc/94/68/22/1079946822.db2.gz FFKDDNFFEURCCS-RZXSNQJFSA-N 1 2 400.519 2.392 20 0 HEADLO CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000767542305 1079946840 /nfs/dbraw/zinc/94/68/40/1079946840.db2.gz FFKDDNFFEURCCS-RZXSNQJFSA-N 1 2 400.519 2.392 20 0 HEADLO CN(C)c1cc(COC(=O)c2cc(S(N)(=O)=O)cc(Cl)c2Cl)cc[nH+]1 ZINC000767545270 1079951780 /nfs/dbraw/zinc/95/17/80/1079951780.db2.gz MKMWZYMBHPELEY-UHFFFAOYSA-N 1 2 404.275 2.459 20 0 HEADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)C[C@H](O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000772591516 1079952015 /nfs/dbraw/zinc/95/20/15/1079952015.db2.gz XYYTUJNHDLMPJE-INIZCTEOSA-N 1 2 402.322 2.087 20 0 HEADLO CCNC(=O)C[N@H+]1CCCN(C(=O)C[C@H](O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000772591516 1079952031 /nfs/dbraw/zinc/95/20/31/1079952031.db2.gz XYYTUJNHDLMPJE-INIZCTEOSA-N 1 2 402.322 2.087 20 0 HEADLO COc1cccc([C@H]2[C@@H](C(=O)OCC[N@H+]3C[C@H]4CC[C@@H](C3)O4)CC(=O)N2C2CC2)c1 ZINC000767582853 1079968916 /nfs/dbraw/zinc/96/89/16/1079968916.db2.gz DHZIHVAGZAAXOP-IIZPIQPGSA-N 1 2 414.502 2.154 20 0 HEADLO COc1cccc([C@H]2[C@@H](C(=O)OCC[N@@H+]3C[C@H]4CC[C@@H](C3)O4)CC(=O)N2C2CC2)c1 ZINC000767582853 1079968924 /nfs/dbraw/zinc/96/89/24/1079968924.db2.gz DHZIHVAGZAAXOP-IIZPIQPGSA-N 1 2 414.502 2.154 20 0 HEADLO CC(C)(C)OC(=O)N1CC[C@@H](N(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)C2CC2)C1 ZINC000772600581 1080002649 /nfs/dbraw/zinc/00/26/49/1080002649.db2.gz OXPXAXLLMRTSDF-QGZVFWFLSA-N 1 2 410.559 2.281 20 0 HEADLO CC(C)(C)OC(=O)N1CC[C@@H](N(C(=O)NCC[N@H+]2CCOC(C)(C)C2)C2CC2)C1 ZINC000772600581 1080002660 /nfs/dbraw/zinc/00/26/60/1080002660.db2.gz OXPXAXLLMRTSDF-QGZVFWFLSA-N 1 2 410.559 2.281 20 0 HEADLO COc1ccc(OC)c([C@H](C)NC(=O)C(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)c1 ZINC000785500139 1080022113 /nfs/dbraw/zinc/02/21/13/1080022113.db2.gz NOQBJCUFTVZETM-GJZGRUSLSA-N 1 2 400.479 2.021 20 0 HEADLO CC(=O)N1CCCc2cc(S(=O)(=O)N3CCC[C@@H](c4[nH+]ccn4C)C3)ccc21 ZINC000767655808 1080023271 /nfs/dbraw/zinc/02/32/71/1080023271.db2.gz NBEKLWJWXOUFLI-QGZVFWFLSA-N 1 2 402.520 2.288 20 0 HEADLO COc1cccc([C@H]2CN(C(=O)C3(n4cc(Br)cn4)CC3)CC[NH2+]2)c1 ZINC001169974396 1080058505 /nfs/dbraw/zinc/05/85/05/1080058505.db2.gz JPVJIJRGQRNBKB-MRXNPFEDSA-N 1 2 405.296 2.316 20 0 HEADLO C[C@H](C(=O)NC1CCC(C)CC1)[NH+]1CCN(c2ccc(NS(C)(=O)=O)cc2)CC1 ZINC000767745486 1080062549 /nfs/dbraw/zinc/06/25/49/1080062549.db2.gz JZVLMMFVGFZCFX-LXPRWKDFSA-N 1 2 422.595 2.264 20 0 HEADLO Cc1c(F)c(C(F)(F)F)ccc1C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000785586533 1080062638 /nfs/dbraw/zinc/06/26/38/1080062638.db2.gz PHSIWJUARDYAMX-UHFFFAOYSA-N 1 2 410.433 2.392 20 0 HEADLO CN(C)c1ccc([NH+]2CCC(NC(=O)C(=O)NCCCOc3ccccc3)CC2)cc1 ZINC000785589261 1080063468 /nfs/dbraw/zinc/06/34/68/1080063468.db2.gz WXWQHAINKWRBHX-UHFFFAOYSA-N 1 2 424.545 2.423 20 0 HEADLO COC(=O)CCc1c(C)nc2c(c(=O)n(C[N@@H+]3CCC[C@@H]3CSC)n2C)c1C ZINC000767771889 1080079670 /nfs/dbraw/zinc/07/96/70/1080079670.db2.gz UDQMHCBBRDYCSA-OAHLLOKOSA-N 1 2 406.552 2.242 20 0 HEADLO COC(=O)CCc1c(C)nc2c(c(=O)n(C[N@H+]3CCC[C@@H]3CSC)n2C)c1C ZINC000767771889 1080079677 /nfs/dbraw/zinc/07/96/77/1080079677.db2.gz UDQMHCBBRDYCSA-OAHLLOKOSA-N 1 2 406.552 2.242 20 0 HEADLO C[N@H+](CCOC(C)(C)C)CN1C(=O)N[C@@](C)(c2cccc(N3CCOC3=O)c2)C1=O ZINC000767774856 1080082548 /nfs/dbraw/zinc/08/25/48/1080082548.db2.gz CWCLGWSBKFAADH-NRFANRHFSA-N 1 2 418.494 2.115 20 0 HEADLO C[N@@H+](CCOC(C)(C)C)CN1C(=O)N[C@@](C)(c2cccc(N3CCOC3=O)c2)C1=O ZINC000767774856 1080082556 /nfs/dbraw/zinc/08/25/56/1080082556.db2.gz CWCLGWSBKFAADH-NRFANRHFSA-N 1 2 418.494 2.115 20 0 HEADLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)C(=O)NCc2ccccc2OC(F)(F)F)C1 ZINC000785641966 1080088911 /nfs/dbraw/zinc/08/89/11/1080088911.db2.gz UKFPXTLDARWKOC-AWEZNQCLSA-N 1 2 410.396 2.341 20 0 HEADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)C(=O)NCc2ccccc2OC(F)(F)F)C1 ZINC000785641967 1080089062 /nfs/dbraw/zinc/08/90/62/1080089062.db2.gz UKFPXTLDARWKOC-CQSZACIVSA-N 1 2 410.396 2.341 20 0 HEADLO O=C1N[C@]2(CCCCc3ccccc32)C(=O)N1C[N@@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000767782515 1080089742 /nfs/dbraw/zinc/08/97/42/1080089742.db2.gz PKVAECCOOAWKAU-OPYAIIAOSA-N 1 2 401.532 2.324 20 0 HEADLO O=C1N[C@]2(CCCCc3ccccc32)C(=O)N1C[N@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000767782515 1080089749 /nfs/dbraw/zinc/08/97/49/1080089749.db2.gz PKVAECCOOAWKAU-OPYAIIAOSA-N 1 2 401.532 2.324 20 0 HEADLO CN(C)c1ccc([NH+]2CCC(NC(=O)C(=O)NCCN(C)c3ccccc3)CC2)cc1 ZINC000785625359 1080133885 /nfs/dbraw/zinc/13/38/85/1080133885.db2.gz VNPKPXDCHYXKHK-UHFFFAOYSA-N 1 2 423.561 2.090 20 0 HEADLO COC(=O)c1ccc(Br)c(S(=O)(=O)N(C)CCCn2cc[nH+]c2)c1 ZINC000767847593 1080165668 /nfs/dbraw/zinc/16/56/68/1080165668.db2.gz CSNWCMPUXUESOJ-UHFFFAOYSA-N 1 2 416.297 2.143 20 0 HEADLO O=C(OCCc1cc(Cl)ccc1Cl)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000785658494 1080179621 /nfs/dbraw/zinc/17/96/21/1080179621.db2.gz DEUACOPAYYWMDW-HNNXBMFYSA-N 1 2 415.317 2.260 20 0 HEADLO CCOC(=O)C1C(COC(=O)C[NH+]2[C@H](C)CC[C@H]2C)=NC(=O)N[C@H]1c1ccccc1 ZINC000785736335 1080208641 /nfs/dbraw/zinc/20/86/41/1080208641.db2.gz XYGHDNTUSMOSEF-SXGZJXTBSA-N 1 2 415.490 2.274 20 0 HEADLO CCOc1ccnc(N2CCCN(C(=O)NCc3[nH+]cc(C)c(OC)c3C)CC2)n1 ZINC000767937308 1080231199 /nfs/dbraw/zinc/23/11/99/1080231199.db2.gz AZGPIPJNHXEMHP-UHFFFAOYSA-N 1 2 414.510 2.318 20 0 HEADLO O=C(C[NH+]1CCC(NC(=O)[C@@]2(O)CCc3ccccc3C2)CC1)Nc1ccccc1 ZINC000785751876 1080231931 /nfs/dbraw/zinc/23/19/31/1080231931.db2.gz PJJYVIPGGWZSNQ-XMMPIXPASA-N 1 2 407.514 2.126 20 0 HEADLO CC(C)n1cc2c(n1)[C@H](NC(=O)Nc1cnn(CC[NH+]3CCOCC3)c1)CCC2 ZINC000780427424 1080246056 /nfs/dbraw/zinc/24/60/56/1080246056.db2.gz ROTMUZZILWPLOL-GOSISDBHSA-N 1 2 401.515 2.192 20 0 HEADLO CC(C)S(=O)(=O)c1ccc(F)c(C(=O)N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)c1 ZINC000785816076 1080256456 /nfs/dbraw/zinc/25/64/56/1080256456.db2.gz MOMFVXYMUYQZIL-HNNXBMFYSA-N 1 2 412.527 2.333 20 0 HEADLO CC(C)S(=O)(=O)c1ccc(F)c(C(=O)N2CC[N@H+](C3CCOCC3)C[C@@H]2C)c1 ZINC000785816076 1080256466 /nfs/dbraw/zinc/25/64/66/1080256466.db2.gz MOMFVXYMUYQZIL-HNNXBMFYSA-N 1 2 412.527 2.333 20 0 HEADLO CC[C@]1(C)Oc2ccc(NC(=O)NC3CC[NH+](CCS(C)(=O)=O)CC3)cc2O1 ZINC000785869351 1080289587 /nfs/dbraw/zinc/28/95/87/1080289587.db2.gz RIWCJAHTQXNXLU-LJQANCHMSA-N 1 2 411.524 2.215 20 0 HEADLO CC(C)(C)OC(=O)N[C@@](C)(C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1)c1ccccc1 ZINC000768029845 1080295155 /nfs/dbraw/zinc/29/51/55/1080295155.db2.gz DMPMOLGNGOTINC-XMSQKQJNSA-N 1 2 403.523 2.360 20 0 HEADLO O=C(NCCCCn1cc[nH+]c1)C(=O)Nc1cnc(Cl)c(Br)c1 ZINC000768042659 1080308285 /nfs/dbraw/zinc/30/82/85/1080308285.db2.gz RYVQAJRZWQJROH-UHFFFAOYSA-N 1 2 400.664 2.229 20 0 HEADLO C[C@@H](NC(=O)C[NH+]1CCC(O)(c2ccc(-c3ccccc3)cc2)CC1)C(=O)N(C)C ZINC000785978049 1080333604 /nfs/dbraw/zinc/33/36/04/1080333604.db2.gz NEMYJWZKMKQXNJ-GOSISDBHSA-N 1 2 409.530 2.230 20 0 HEADLO COCCCn1c(=O)c2ccc(C(=O)NCC[C@H]3CCC[N@H+](C)C3)cc2[nH]c1=S ZINC001626111340 1080433523 /nfs/dbraw/zinc/43/35/23/1080433523.db2.gz LZJFVSVFMKQXPD-OAHLLOKOSA-N 1 2 418.563 2.183 20 0 HEADLO COCCCn1c(=O)c2ccc(C(=O)NCC[C@H]3CCC[N@@H+](C)C3)cc2[nH]c1=S ZINC001626111340 1080433529 /nfs/dbraw/zinc/43/35/29/1080433529.db2.gz LZJFVSVFMKQXPD-OAHLLOKOSA-N 1 2 418.563 2.183 20 0 HEADLO Cc1n[nH]c(C)c1[C@@H](C)C(=O)OCC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000786318642 1080560398 /nfs/dbraw/zinc/56/03/98/1080560398.db2.gz GRMHBEUYNZRCLR-CQSZACIVSA-N 1 2 400.479 2.144 20 0 HEADLO Cn1cc(C[C@H]2CC(=O)N(C[NH+]3CCC(OCc4ccccc4F)CC3)C2=O)cn1 ZINC000768477061 1080574663 /nfs/dbraw/zinc/57/46/63/1080574663.db2.gz GGHGULFTUNACSD-SFHVURJKSA-N 1 2 414.481 2.116 20 0 HEADLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)C(=O)NCc3ccc(Cl)nc3)CC2)c1 ZINC000786602754 1080703690 /nfs/dbraw/zinc/70/36/90/1080703690.db2.gz MRLVWXLWOLMYHH-HNNXBMFYSA-N 1 2 416.909 2.265 20 0 HEADLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)CN1C(=O)c2ccccc2N2C(=O)CC[C@@]21C ZINC000746593314 1080707318 /nfs/dbraw/zinc/70/73/18/1080707318.db2.gz FGSPZGWOOFSOGG-FDDCHVKYSA-N 1 2 423.517 2.413 20 0 HEADLO CCS(=O)(=O)CCn1cc(C)c(NC(=O)NCc2ccccc2-n2cc[nH+]c2)n1 ZINC000786731838 1080781461 /nfs/dbraw/zinc/78/14/61/1080781461.db2.gz IMLOIGZHNHSAOF-UHFFFAOYSA-N 1 2 416.507 2.134 20 0 HEADLO Cn1ncnc1COc1ccc(S(=O)(=O)Oc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000746603808 1080803063 /nfs/dbraw/zinc/80/30/63/1080803063.db2.gz TYUWAGKHSJZVLP-UHFFFAOYSA-N 1 2 411.443 2.348 20 0 HEADLO Cn1ncc2c1nc(Nc1ccc(N3CC[NH+](C)CC3)c(Br)c1)[nH]c2=O ZINC000786826776 1080827298 /nfs/dbraw/zinc/82/72/98/1080827298.db2.gz KEIWPHMWSMUMFA-UHFFFAOYSA-N 1 2 418.299 2.327 20 0 HEADLO CN(C)c1ccc([NH+]2CCC(NC(=O)C(=O)NCc3cccc(N(C)C)c3)CC2)cc1 ZINC000786894039 1080872654 /nfs/dbraw/zinc/87/26/54/1080872654.db2.gz RJVPBNWDGOJHTR-UHFFFAOYSA-N 1 2 423.561 2.220 20 0 HEADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)N2CCC(C3(C)OCCO3)CC2)CC1 ZINC000768956621 1080882571 /nfs/dbraw/zinc/88/25/71/1080882571.db2.gz AGQIACZSPJJPMR-UHFFFAOYSA-N 1 2 416.522 2.081 20 0 HEADLO COCCc1cc(NC(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)n(C)n1 ZINC000768998319 1080894752 /nfs/dbraw/zinc/89/47/52/1080894752.db2.gz KSMJXAKSNKQDQS-UHFFFAOYSA-N 1 2 400.527 2.466 20 0 HEADLO CC(C)(C)c1csc(COC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)n1 ZINC000786993231 1080903239 /nfs/dbraw/zinc/90/32/39/1080903239.db2.gz AILJAGUPHLWAFB-HNNXBMFYSA-N 1 2 409.552 2.197 20 0 HEADLO O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)OCc1cc(Cl)nc(Cl)c1 ZINC000786997460 1080908013 /nfs/dbraw/zinc/90/80/13/1080908013.db2.gz NHSITIWKDHNVLC-AWEZNQCLSA-N 1 2 416.305 2.145 20 0 HEADLO O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)OCCCOc1cccc(Cl)c1 ZINC000787000092 1080912913 /nfs/dbraw/zinc/91/29/13/1080912913.db2.gz VGLACFJTMWQMLB-IBGZPJMESA-N 1 2 424.925 2.365 20 0 HEADLO C[NH+]1CCN(c2ccc(N[C@H]3CCCS(=O)(=O)C3)cc2Br)CC1 ZINC000786978425 1080935158 /nfs/dbraw/zinc/93/51/58/1080935158.db2.gz YJJSWWUCJLMSAI-AWEZNQCLSA-N 1 2 402.358 2.190 20 0 HEADLO CN(C)c1ccc(NC(=O)c2cccc(NC(=O)CCn3cc[nH+]c3)c2)c(C(N)=O)c1 ZINC000769179025 1080993429 /nfs/dbraw/zinc/99/34/29/1080993429.db2.gz LHLVXUYJZVWWOU-UHFFFAOYSA-N 1 2 420.473 2.329 20 0 HEADLO CC(C)(C)OC(=O)NC1CC[NH+](CC(=O)Nc2cccc(-c3nc[nH]n3)c2)CC1 ZINC000769203884 1081001309 /nfs/dbraw/zinc/00/13/09/1081001309.db2.gz SFQCZZBRWGDWGF-UHFFFAOYSA-N 1 2 400.483 2.399 20 0 HEADLO COc1cc(NC(=O)N2CC[N@H+](C)C[C@@H]2CNC(=O)OC(C)(C)C)cc(OC)c1 ZINC000769231551 1081010719 /nfs/dbraw/zinc/01/07/19/1081010719.db2.gz XLRIPXGMIMMRMX-HNNXBMFYSA-N 1 2 408.499 2.376 20 0 HEADLO COc1cc(NC(=O)N2CC[N@@H+](C)C[C@@H]2CNC(=O)OC(C)(C)C)cc(OC)c1 ZINC000769231551 1081010730 /nfs/dbraw/zinc/01/07/30/1081010730.db2.gz XLRIPXGMIMMRMX-HNNXBMFYSA-N 1 2 408.499 2.376 20 0 HEADLO CC(C)(C)OC(=O)N1CC[C@@H]([NH+]2CCN(c3ncc(Br)cn3)CC2)C1 ZINC000769288989 1081014510 /nfs/dbraw/zinc/01/45/10/1081014510.db2.gz YXJWCDVYXUPDKU-CQSZACIVSA-N 1 2 412.332 2.371 20 0 HEADLO C[C@H]1C[N@H+](CCNC(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2)CCO1 ZINC000787139716 1081024292 /nfs/dbraw/zinc/02/42/92/1081024292.db2.gz UKTATYBQTWWPIK-GOEBONIOSA-N 1 2 411.344 2.048 20 0 HEADLO C[C@H]1C[N@@H+](CCNC(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2)CCO1 ZINC000787139716 1081024298 /nfs/dbraw/zinc/02/42/98/1081024298.db2.gz UKTATYBQTWWPIK-GOEBONIOSA-N 1 2 411.344 2.048 20 0 HEADLO COc1cc(CNC(=O)C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)ccc1OC(C)C ZINC000787215323 1081051096 /nfs/dbraw/zinc/05/10/96/1081051096.db2.gz GETMTWZSRZUXPA-UHFFFAOYSA-N 1 2 400.479 2.228 20 0 HEADLO CO[C@H]1CC(=O)N(C[N@H+](C)Cc2cccc(NS(=O)(=O)c3ccccc3)c2)C1 ZINC000787219813 1081053157 /nfs/dbraw/zinc/05/31/57/1081053157.db2.gz NHWWJJOOYYHDTE-SFHVURJKSA-N 1 2 403.504 2.124 20 0 HEADLO CO[C@H]1CC(=O)N(C[N@@H+](C)Cc2cccc(NS(=O)(=O)c3ccccc3)c2)C1 ZINC000787219813 1081053162 /nfs/dbraw/zinc/05/31/62/1081053162.db2.gz NHWWJJOOYYHDTE-SFHVURJKSA-N 1 2 403.504 2.124 20 0 HEADLO C[NH+](C)[C@@H](CNC(=O)CS[C@@H]1CCS(=O)(=O)C1)c1cccc(C(F)(F)F)c1 ZINC000769399720 1081062656 /nfs/dbraw/zinc/06/26/56/1081062656.db2.gz RLWRTPUEDPTXMA-CABCVRRESA-N 1 2 424.510 2.345 20 0 HEADLO CCc1nn(C)c(Cl)c1C[NH+]1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1 ZINC000769427139 1081069516 /nfs/dbraw/zinc/06/95/16/1081069516.db2.gz HGDVCCDKUKTHRO-UHFFFAOYSA-N 1 2 416.897 2.424 20 0 HEADLO C[C@@H]1CCCN(Cc2cnc(N3CC[NH+](C)CC3)nc2)[C@H]1CNC(=O)OC(C)(C)C ZINC000769427277 1081070627 /nfs/dbraw/zinc/07/06/27/1081070627.db2.gz XECKNDPMZNNIQG-MJGOQNOKSA-N 1 2 418.586 2.354 20 0 HEADLO C[S@@](=O)CC[NH+]1CCN(Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)CC1 ZINC000769482096 1081078662 /nfs/dbraw/zinc/07/86/62/1081078662.db2.gz YVBLMYDQTZIJBB-HHHXNRCGSA-N 1 2 400.470 2.387 20 0 HEADLO COCCN1CC[N@H+](C)C2(CCN(c3nc4ccccc4nc3Cl)CC2)C1=O ZINC001164634739 719272307 /nfs/dbraw/zinc/27/23/07/719272307.db2.gz NGOPZGZGILCYIY-UHFFFAOYSA-N 1 2 403.914 2.043 20 0 HEADLO COCCN1CC[N@@H+](C)C2(CCN(c3nc4ccccc4nc3Cl)CC2)C1=O ZINC001164634739 719272311 /nfs/dbraw/zinc/27/23/11/719272311.db2.gz NGOPZGZGILCYIY-UHFFFAOYSA-N 1 2 403.914 2.043 20 0 HEADLO COCCN1CC[N@H+](C)C2(CCN(c3nc(C)nc4c5ccccc5oc43)CC2)C1=O ZINC001164639900 719277329 /nfs/dbraw/zinc/27/73/29/719277329.db2.gz LOFDNZCSWKFSMR-UHFFFAOYSA-N 1 2 423.517 2.444 20 0 HEADLO COCCN1CC[N@@H+](C)C2(CCN(c3nc(C)nc4c5ccccc5oc43)CC2)C1=O ZINC001164639900 719277331 /nfs/dbraw/zinc/27/73/31/719277331.db2.gz LOFDNZCSWKFSMR-UHFFFAOYSA-N 1 2 423.517 2.444 20 0 HEADLO O=C1COc2ccc(N3CCC4(CC3)COCC[N@H+]4Cc3ccc(F)cc3)nc2N1 ZINC001164673377 719513249 /nfs/dbraw/zinc/51/32/49/719513249.db2.gz QTECOKQHUJDRDX-UHFFFAOYSA-N 1 2 412.465 2.423 20 0 HEADLO O=C1COc2ccc(N3CCC4(CC3)COCC[N@@H+]4Cc3ccc(F)cc3)nc2N1 ZINC001164673377 719513253 /nfs/dbraw/zinc/51/32/53/719513253.db2.gz QTECOKQHUJDRDX-UHFFFAOYSA-N 1 2 412.465 2.423 20 0 HEADLO NC(=O)c1cc(Cl)ncc1C(F)(F)N1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001164678417 719566480 /nfs/dbraw/zinc/56/64/80/719566480.db2.gz YGRQCRVJJVZJPG-UHFFFAOYSA-N 1 2 408.796 2.174 20 0 HEADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1[C@H](F)Oc1cccc(Cl)n1 ZINC001164698400 719854569 /nfs/dbraw/zinc/85/45/69/719854569.db2.gz BZUOGBFUAXUSJC-BVGQSLNGSA-N 1 2 401.866 2.095 20 0 HEADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(C)c2cc(OC)ccc2n1 ZINC001164705165 719858803 /nfs/dbraw/zinc/85/88/03/719858803.db2.gz UBTYTXUNDGUVRG-AOMKIAJQSA-N 1 2 414.506 2.180 20 0 HEADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc(-c2cccs2)nn1 ZINC001164701522 719860218 /nfs/dbraw/zinc/86/02/18/719860218.db2.gz LADDNYQKFOECDI-YWZLYKJASA-N 1 2 402.520 2.438 20 0 HEADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncnc2nc(SC)sc21 ZINC001164701321 719861984 /nfs/dbraw/zinc/86/19/84/719861984.db2.gz KDJUFULVFCBECF-SGTLLEGYSA-N 1 2 423.564 2.041 20 0 HEADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc(C)nc(-c2ccncc2)n1 ZINC001164703199 719866823 /nfs/dbraw/zinc/86/68/23/719866823.db2.gz JYSSEXDOSJWYCZ-PGRDOPGGSA-N 1 2 411.506 2.080 20 0 HEADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc(COC2CCC2)cn1 ZINC001164708439 719875509 /nfs/dbraw/zinc/87/55/09/719875509.db2.gz ZFCVHHCRASYBCY-XMSQKQJNSA-N 1 2 403.523 2.383 20 0 HEADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)c3nc(Cl)ccc3F)C2)C1 ZINC001164720259 720245473 /nfs/dbraw/zinc/24/54/73/720245473.db2.gz SXNKUBZPODUFHV-QGZVFWFLSA-N 1 2 420.863 2.084 20 0 HEADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)c3nc(Cl)ccc3F)C2)C1 ZINC001164720259 720245486 /nfs/dbraw/zinc/24/54/86/720245486.db2.gz SXNKUBZPODUFHV-QGZVFWFLSA-N 1 2 420.863 2.084 20 0 HEADLO CCc1cnc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)nc1 ZINC001164825825 720357968 /nfs/dbraw/zinc/35/79/68/720357968.db2.gz VGNNPNQHPPXWSS-UHFFFAOYSA-N 1 2 400.552 2.117 20 0 HEADLO CCc1cnc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)nc1 ZINC001164825825 720357973 /nfs/dbraw/zinc/35/79/73/720357973.db2.gz VGNNPNQHPPXWSS-UHFFFAOYSA-N 1 2 400.552 2.117 20 0 HEADLO CSc1ccnc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)n1 ZINC001164826494 720361119 /nfs/dbraw/zinc/36/11/19/720361119.db2.gz WDPKAWFWTWQCJP-UHFFFAOYSA-N 1 2 418.592 2.277 20 0 HEADLO CSc1ccnc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)n1 ZINC001164826494 720361125 /nfs/dbraw/zinc/36/11/25/720361125.db2.gz WDPKAWFWTWQCJP-UHFFFAOYSA-N 1 2 418.592 2.277 20 0 HEADLO Cc1ccc2ncnc(N3Cc4ncn(C)c4[C@@H](COCC[NH+]4CCOCC4)C3)c2c1 ZINC001164825262 720441159 /nfs/dbraw/zinc/44/11/59/720441159.db2.gz QWZPKWSTUPYPMN-GOSISDBHSA-N 1 2 422.533 2.124 20 0 HEADLO CSc1cnc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)c(C)c1 ZINC001164829540 720468465 /nfs/dbraw/zinc/46/84/65/720468465.db2.gz FZWSWJUPQJONID-QGZVFWFLSA-N 1 2 417.579 2.298 20 0 HEADLO O=c1cc(Cn2cc[nH+]c2)nc2n1CCCN([C@H](F)Oc1ccnc(Cl)c1)C2 ZINC001164860228 720895422 /nfs/dbraw/zinc/89/54/22/720895422.db2.gz UNUDFKXRPZCLOB-SFHVURJKSA-N 1 2 404.833 2.074 20 0 HEADLO NC(=O)c1ccc(C(F)(F)N2C[C@H]3C[NH+](Cc4nccs4)C[C@@H]3C2)nc1Cl ZINC001164788400 721391162 /nfs/dbraw/zinc/39/11/62/721391162.db2.gz RMAHEZOVOMAYIC-GHMZBOCLSA-N 1 2 413.881 2.404 20 0 HEADLO NC(=O)c1cc(Cl)ncc1C(F)(F)N1C[C@@H]2C[N@@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164781855 721422933 /nfs/dbraw/zinc/42/29/33/721422933.db2.gz FMDNTUCHFDACDY-PHIMTYICSA-N 1 2 413.881 2.404 20 0 HEADLO NC(=O)c1cc(Cl)ncc1C(F)(F)N1C[C@@H]2C[N@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164781855 721422935 /nfs/dbraw/zinc/42/29/35/721422935.db2.gz FMDNTUCHFDACDY-PHIMTYICSA-N 1 2 413.881 2.404 20 0 HEADLO Cc1cc2c(c(N3CCc4c(C[N@H+](C)Cc5ccco5)cncc4C3)n1)C(=O)NC2=O ZINC001164910735 721760269 /nfs/dbraw/zinc/76/02/69/721760269.db2.gz KKVNYNDSUKFOJB-UHFFFAOYSA-N 1 2 417.469 2.456 20 0 HEADLO Cc1cc2c(c(N3CCc4c(C[N@@H+](C)Cc5ccco5)cncc4C3)n1)C(=O)NC2=O ZINC001164910735 721760270 /nfs/dbraw/zinc/76/02/70/721760270.db2.gz KKVNYNDSUKFOJB-UHFFFAOYSA-N 1 2 417.469 2.456 20 0 HEADLO Cc1nc(C)c(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c(Cl)n1 ZINC001164911564 721778916 /nfs/dbraw/zinc/77/89/16/721778916.db2.gz HJIRNVMFALWQMO-HXUWFJFHSA-N 1 2 403.914 2.250 20 0 HEADLO Cc1nc(C)c(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c(Cl)n1 ZINC001164911564 721778919 /nfs/dbraw/zinc/77/89/19/721778919.db2.gz HJIRNVMFALWQMO-HXUWFJFHSA-N 1 2 403.914 2.250 20 0 HEADLO F[C@H](Oc1ccc(Cl)nc1)N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164916403 721782669 /nfs/dbraw/zinc/78/26/69/721782669.db2.gz QQCPEGQGXVVGRE-VQTJNVASSA-N 1 2 422.888 2.365 20 0 HEADLO F[C@H](Oc1ccc(Cl)nc1)N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164916403 721782673 /nfs/dbraw/zinc/78/26/73/721782673.db2.gz QQCPEGQGXVVGRE-VQTJNVASSA-N 1 2 422.888 2.365 20 0 HEADLO Clc1cc2[nH]cnc2nc1N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164916380 721787887 /nfs/dbraw/zinc/78/78/87/721787887.db2.gz QEPCKYKLEKDSIW-FQEVSTJZSA-N 1 2 414.897 2.114 20 0 HEADLO Clc1cc2[nH]cnc2nc1N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164916380 721787890 /nfs/dbraw/zinc/78/78/90/721787890.db2.gz QEPCKYKLEKDSIW-FQEVSTJZSA-N 1 2 414.897 2.114 20 0 HEADLO COc1ccnc(Cl)c1N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164915602 721798347 /nfs/dbraw/zinc/79/83/47/721798347.db2.gz WZKCBHOZLWQWEI-FQEVSTJZSA-N 1 2 404.898 2.246 20 0 HEADLO COc1ccnc(Cl)c1N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164915602 721798349 /nfs/dbraw/zinc/79/83/49/721798349.db2.gz WZKCBHOZLWQWEI-FQEVSTJZSA-N 1 2 404.898 2.246 20 0 HEADLO CCOC(=O)c1cnc(Cl)nc1N1CCC2(CC1)c1[nH+]cc(C)n1CCN2C ZINC001164916686 721812592 /nfs/dbraw/zinc/81/25/92/721812592.db2.gz ISHCLGXLPBKNPF-UHFFFAOYSA-N 1 2 404.902 2.253 20 0 HEADLO CCOC(=O)Cc1nc(Cl)cc(N2CCC3(CC2)c2[nH+]cc(C)n2CCN3C)n1 ZINC001164918400 721814931 /nfs/dbraw/zinc/81/49/31/721814931.db2.gz WEIOOIBIJXXMAF-UHFFFAOYSA-N 1 2 418.929 2.182 20 0 HEADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2nc(Cl)ccc2S(C)(=O)=O)CC1 ZINC001164918333 721818474 /nfs/dbraw/zinc/81/84/74/721818474.db2.gz OJHJMWHRLADUDX-UHFFFAOYSA-N 1 2 409.943 2.085 20 0 HEADLO CCOC(=O)c1cnc(C(F)(F)N2CC[NH+](C[C@H]3CCCO3)CC2)nc1Cl ZINC001165039375 721901553 /nfs/dbraw/zinc/90/15/53/721901553.db2.gz WELFGDFESAYGPA-GFCCVEGCSA-N 1 2 404.845 2.153 20 0 HEADLO Cc1noc(C)c1CN1CCO[C@@H]2CN(c3cc(N4CCC[C@@H](C)C4)[nH+]cn3)C[C@@H]21 ZINC001164944439 721960375 /nfs/dbraw/zinc/96/03/75/721960375.db2.gz KAKFZVYBHRCPHP-UIAACRFSSA-N 1 2 412.538 2.407 20 0 HEADLO COC(=O)c1cnc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)c(C)c1 ZINC001164945826 721972077 /nfs/dbraw/zinc/97/20/77/721972077.db2.gz SRCKYTPYBKMHBS-UHFFFAOYSA-N 1 2 408.502 2.148 20 0 HEADLO COC(=O)c1cnc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)c(C)c1 ZINC001164945826 721972079 /nfs/dbraw/zinc/97/20/79/721972079.db2.gz SRCKYTPYBKMHBS-UHFFFAOYSA-N 1 2 408.502 2.148 20 0 HEADLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1nc(Cl)nc3c1COC3)CC2 ZINC001164945675 721972161 /nfs/dbraw/zinc/97/21/61/721972161.db2.gz QBHLMPMTRGMYGI-UHFFFAOYSA-N 1 2 413.909 2.131 20 0 HEADLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1nc(Cl)nc3c1COC3)CC2 ZINC001164945675 721972163 /nfs/dbraw/zinc/97/21/63/721972163.db2.gz QBHLMPMTRGMYGI-UHFFFAOYSA-N 1 2 413.909 2.131 20 0 HEADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2cc(S(=O)(=O)N3CCC3)ccc2Cl)C1 ZINC000769764907 1078545204 /nfs/dbraw/zinc/54/52/04/1078545204.db2.gz LCSFUSDVTSJYMS-CQSZACIVSA-N 1 2 422.938 2.488 20 0 HEADLO CC(C)(C)OC(=O)N(CCCNC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1)C1CC1 ZINC000745608671 1078554408 /nfs/dbraw/zinc/55/44/08/1078554408.db2.gz KMLMYWWJKOACDO-GOSISDBHSA-N 1 2 410.559 2.282 20 0 HEADLO O=C(C[NH+]1CCC(O)(c2ccccc2Cl)CC1)NC1CCC2(CC1)OCCO2 ZINC000769812863 1078573835 /nfs/dbraw/zinc/57/38/35/1078573835.db2.gz KZTOTEZZOSBNAR-UHFFFAOYSA-N 1 2 408.926 2.425 20 0 HEADLO COC(=O)c1cccc(N2CC(=O)N(C[N@H+](C)Cc3cccc(N(C)C)c3)C2=O)c1 ZINC000769853831 1078576709 /nfs/dbraw/zinc/57/67/09/1078576709.db2.gz MUJRMUVLJDGQSR-UHFFFAOYSA-N 1 2 410.474 2.397 20 0 HEADLO COC(=O)c1cccc(N2CC(=O)N(C[N@@H+](C)Cc3cccc(N(C)C)c3)C2=O)c1 ZINC000769853831 1078576717 /nfs/dbraw/zinc/57/67/17/1078576717.db2.gz MUJRMUVLJDGQSR-UHFFFAOYSA-N 1 2 410.474 2.397 20 0 HEADLO O=C(C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@]13C[C@H]1CCC3)C2)NCc1cc(F)cc(F)c1 ZINC001109542663 1078588117 /nfs/dbraw/zinc/58/81/17/1078588117.db2.gz FPCVOXNFUWWRLV-FYWNELHYSA-N 1 2 403.473 2.493 20 0 HEADLO O=C(C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@]13C[C@H]1CCC3)C2)NCc1cc(F)cc(F)c1 ZINC001109542663 1078588124 /nfs/dbraw/zinc/58/81/24/1078588124.db2.gz FPCVOXNFUWWRLV-FYWNELHYSA-N 1 2 403.473 2.493 20 0 HEADLO Cc1ccc(CN(C)C(=O)C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H]2OC[C@@H]4CCC[C@@H]42)C3)o1 ZINC001109535771 1078592980 /nfs/dbraw/zinc/59/29/80/1078592980.db2.gz NPBMMDPLLDDBSM-JQVLIVPVSA-N 1 2 415.534 2.083 20 0 HEADLO Cc1ccc(CN(C)C(=O)C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H]2OC[C@@H]4CCC[C@@H]42)C3)o1 ZINC001109535771 1078592988 /nfs/dbraw/zinc/59/29/88/1078592988.db2.gz NPBMMDPLLDDBSM-JQVLIVPVSA-N 1 2 415.534 2.083 20 0 HEADLO Cc1cc(N2CCN(C(=O)COC(=O)CC[C@@H]3CC[C@@H](C)O3)CC2)nc(C(C)C)[nH+]1 ZINC000745713546 1078603668 /nfs/dbraw/zinc/60/36/68/1078603668.db2.gz UHELMOVGCXSIPO-MSOLQXFVSA-N 1 2 418.538 2.448 20 0 HEADLO Cc1ccc([C@@H](C)[C@@H](O)C(=O)OCC(=O)N2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000745746961 1078634068 /nfs/dbraw/zinc/63/40/68/1078634068.db2.gz DEBPQRUVUDETGJ-DYESRHJHSA-N 1 2 416.543 2.409 20 0 HEADLO CC[C@@H](c1ccc(F)cc1F)N1CCN(C(=O)NCC[N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000745791847 1078649556 /nfs/dbraw/zinc/64/95/56/1078649556.db2.gz NAWUFJPSMHYDQF-JXFKEZNVSA-N 1 2 410.509 2.464 20 0 HEADLO CC[C@@H](c1ccc(F)cc1F)N1CCN(C(=O)NCC[N@H+]2CCO[C@@H](C)C2)CC1 ZINC000745791847 1078649559 /nfs/dbraw/zinc/64/95/59/1078649559.db2.gz NAWUFJPSMHYDQF-JXFKEZNVSA-N 1 2 410.509 2.464 20 0 HEADLO CC(C)(C)OC(=O)N1CCCC[C@@H](NC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)C1 ZINC000745819240 1078649075 /nfs/dbraw/zinc/64/90/75/1078649075.db2.gz YDZFHCFZBVNFGC-MSOLQXFVSA-N 1 2 410.559 2.282 20 0 HEADLO C[NH+]1CCN(c2ccccc2NC(=O)NCc2n[nH]c(COc3ccccc3)n2)CC1 ZINC000769955996 1078651276 /nfs/dbraw/zinc/65/12/76/1078651276.db2.gz NCEOHZJSRYPCDT-UHFFFAOYSA-N 1 2 421.505 2.457 20 0 HEADLO Cn1ccnc1[C@H](O)[C@@H]1CCCN(C(=O)NCc2ccccc2Cn2cc[nH+]c2)C1 ZINC000769962596 1078654253 /nfs/dbraw/zinc/65/42/53/1078654253.db2.gz CZXJGVQMIVBMBZ-WOJBJXKFSA-N 1 2 408.506 2.320 20 0 HEADLO C[C@@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000745870137 1078668605 /nfs/dbraw/zinc/66/86/05/1078668605.db2.gz PRMRLFBMYKRIFM-HOTGVXAUSA-N 1 2 410.584 2.184 20 0 HEADLO O=C(Nc1ccc(O)c(C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)c1)OCC(F)(F)F ZINC000769983528 1078673272 /nfs/dbraw/zinc/67/32/72/1078673272.db2.gz LQNCOPJCRINXPA-ZDUSSCGKSA-N 1 2 417.384 2.050 20 0 HEADLO NC(=O)[C@H]1CC(C(=O)Nc2ccccc2OCCn2cc[nH+]c2)=NN1c1ccccc1 ZINC000745861867 1078677565 /nfs/dbraw/zinc/67/75/65/1078677565.db2.gz PUPKPQBWEKCHLE-LJQANCHMSA-N 1 2 418.457 2.021 20 0 HEADLO CC(=O)[C@H](Cc1ccccc1)NC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000745944221 1078708672 /nfs/dbraw/zinc/70/86/72/1078708672.db2.gz KIPILHLGMAPWBY-OALUTQOASA-N 1 2 403.523 2.244 20 0 HEADLO CC(=O)[C@H](Cc1ccccc1)NC(=O)C[N@H+](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000745944221 1078708678 /nfs/dbraw/zinc/70/86/78/1078708678.db2.gz KIPILHLGMAPWBY-OALUTQOASA-N 1 2 403.523 2.244 20 0 HEADLO CC[N@@H+]1CCO[C@H](C(=O)Oc2ccc(N(C)S(=O)(=O)c3ccccc3F)cc2)C1 ZINC000746105344 1078787668 /nfs/dbraw/zinc/78/76/68/1078787668.db2.gz IQEDCXVTSHCWFZ-SFHVURJKSA-N 1 2 422.478 2.277 20 0 HEADLO CC[N@H+]1CCO[C@H](C(=O)Oc2ccc(N(C)S(=O)(=O)c3ccccc3F)cc2)C1 ZINC000746105344 1078787669 /nfs/dbraw/zinc/78/76/69/1078787669.db2.gz IQEDCXVTSHCWFZ-SFHVURJKSA-N 1 2 422.478 2.277 20 0 HEADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)CN1C(=O)COc2ccc(Cl)cc21 ZINC000770214500 1078789897 /nfs/dbraw/zinc/78/98/97/1078789897.db2.gz OHDUHMBTCMACGF-UHFFFAOYSA-N 1 2 416.865 2.244 20 0 HEADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000770259638 1078793359 /nfs/dbraw/zinc/79/33/59/1078793359.db2.gz GJQJWPHHUXAVAH-UHFFFAOYSA-N 1 2 405.499 2.311 20 0 HEADLO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[N@@H+]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000770376738 1078833544 /nfs/dbraw/zinc/83/35/44/1078833544.db2.gz XHOXPCZFDUWEOQ-BZUAXINKSA-N 1 2 401.960 2.453 20 0 HEADLO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[N@H+]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000770376738 1078833549 /nfs/dbraw/zinc/83/35/49/1078833549.db2.gz XHOXPCZFDUWEOQ-BZUAXINKSA-N 1 2 401.960 2.453 20 0 HEADLO CCOC(=O)N1CC[C@@H](NC(=O)N[C@@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)C1 ZINC000770404310 1078843415 /nfs/dbraw/zinc/84/34/15/1078843415.db2.gz MJQNVGFQRQBBID-HUUCEWRRSA-N 1 2 410.465 2.459 20 0 HEADLO CCOC(=O)N1CC[C@@H](NC(=O)N[C@@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)C1 ZINC000770404310 1078843417 /nfs/dbraw/zinc/84/34/17/1078843417.db2.gz MJQNVGFQRQBBID-HUUCEWRRSA-N 1 2 410.465 2.459 20 0 HEADLO C[N@H+](CC(F)F)C1CCN(C(=O)CN2C(=S)N=NC2c2cccs2)CC1 ZINC000746321185 1078858465 /nfs/dbraw/zinc/85/84/65/1078858465.db2.gz JILWKEMUWOVLEY-UHFFFAOYSA-N 1 2 401.508 2.483 20 0 HEADLO C[N@@H+](CC(F)F)C1CCN(C(=O)CN2C(=S)N=NC2c2cccs2)CC1 ZINC000746321185 1078858468 /nfs/dbraw/zinc/85/84/68/1078858468.db2.gz JILWKEMUWOVLEY-UHFFFAOYSA-N 1 2 401.508 2.483 20 0 HEADLO O=S1(=O)CCC[C@H](Nc2ccccc2N2CC[NH+](CCc3ccncc3)CC2)C1 ZINC000770518654 1078881856 /nfs/dbraw/zinc/88/18/56/1078881856.db2.gz YVCFVNHXNVEXNM-FQEVSTJZSA-N 1 2 414.575 2.435 20 0 HEADLO CCOC(=O)N1CC[C@@H](NC(=O)N2CC[NH+](Cc3ccc(OCC)cc3)CC2)C1 ZINC000770538203 1078889426 /nfs/dbraw/zinc/88/94/26/1078889426.db2.gz LGEKKLLAISNMAC-GOSISDBHSA-N 1 2 404.511 2.143 20 0 HEADLO O=C(OCc1ccccc1)N1CC[C@H](C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)C1 ZINC000770568210 1078893422 /nfs/dbraw/zinc/89/34/22/1078893422.db2.gz KLOBANSVLRCUJM-LEWJYISDSA-N 1 2 415.534 2.358 20 0 HEADLO O=C(COC(=O)c1cc(=O)[nH]c(C2CC2)c1)N1CC[NH+](Cc2cccs2)CC1 ZINC000770584808 1078897179 /nfs/dbraw/zinc/89/71/79/1078897179.db2.gz MDGIYIGCLJXCRY-UHFFFAOYSA-N 1 2 401.488 2.227 20 0 HEADLO CS(=O)(=O)c1cc(S(=O)(=O)Nc2cnn(-c3cc[nH+]cc3)c2)c(Cl)s1 ZINC000770634666 1078906922 /nfs/dbraw/zinc/90/69/22/1078906922.db2.gz JSAKBNSLEVIVBM-UHFFFAOYSA-N 1 2 418.909 2.187 20 0 HEADLO COC(=O)c1cc(S(=O)(=O)N2CC[N@H+](C)[C@H](C)[C@@H]2C)c(F)cc1Br ZINC000770716694 1078945661 /nfs/dbraw/zinc/94/56/61/1078945661.db2.gz KSKOPVSVBNNTJS-ZJUUUORDSA-N 1 2 423.304 2.088 20 0 HEADLO COC(=O)c1cc(S(=O)(=O)N2CC[N@@H+](C)[C@H](C)[C@@H]2C)c(F)cc1Br ZINC000770716694 1078945664 /nfs/dbraw/zinc/94/56/64/1078945664.db2.gz KSKOPVSVBNNTJS-ZJUUUORDSA-N 1 2 423.304 2.088 20 0 HEADLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)C(=O)Nc1ccc(Br)nc1 ZINC000766387508 1078959407 /nfs/dbraw/zinc/95/94/07/1078959407.db2.gz HBMMIIWMELGCLF-UHFFFAOYSA-N 1 2 400.236 2.285 20 0 HEADLO C[C@@H](OC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1)C(=O)Nc1ccccc1 ZINC000766397842 1078951775 /nfs/dbraw/zinc/95/17/75/1078951775.db2.gz PLPUBKNMDBCDFO-QGZVFWFLSA-N 1 2 410.474 2.081 20 0 HEADLO COc1cccc(OCC[NH+]2CCN(C(=O)Cc3cnn(-c4ccccc4)n3)CC2)c1 ZINC000766408601 1078957621 /nfs/dbraw/zinc/95/76/21/1078957621.db2.gz KQTOLOXJRAUDGD-UHFFFAOYSA-N 1 2 421.501 2.042 20 0 HEADLO Cn1ncc(NC(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)cc2)c1C1CC1 ZINC000770767506 1078986006 /nfs/dbraw/zinc/98/60/06/1078986006.db2.gz XOUAHSZCHYKWRQ-WBVHZDCISA-N 1 2 401.898 2.451 20 0 HEADLO Cn1ncc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)cc2)c1C1CC1 ZINC000770767506 1078986017 /nfs/dbraw/zinc/98/60/17/1078986017.db2.gz XOUAHSZCHYKWRQ-WBVHZDCISA-N 1 2 401.898 2.451 20 0 HEADLO COC(=O)C[C@@H]1CSCC[N@@H+]1CC(=O)Nc1ccc(N2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000746464097 1079010599 /nfs/dbraw/zinc/01/05/99/1079010599.db2.gz RJRRIGFMBKWFSI-TXPKVOOTSA-N 1 2 421.563 2.219 20 0 HEADLO COC(=O)C[C@@H]1CSCC[N@H+]1CC(=O)Nc1ccc(N2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000746464097 1079010608 /nfs/dbraw/zinc/01/06/08/1079010608.db2.gz RJRRIGFMBKWFSI-TXPKVOOTSA-N 1 2 421.563 2.219 20 0 HEADLO COC(=O)c1cccc(-c2nc(CN3CC[NH+](CC[S@](C)=O)CC3)cs2)c1 ZINC000746471344 1079021380 /nfs/dbraw/zinc/02/13/80/1079021380.db2.gz ZTOJYHIUPLOKKM-MHZLTWQESA-N 1 2 407.561 2.093 20 0 HEADLO CCOC1CC(CNC(=O)N[C@H]2CCCc3nc(C)sc32)([NH+]2CCOCC2)C1 ZINC000770795203 1079020003 /nfs/dbraw/zinc/02/00/03/1079020003.db2.gz JUIPHILGVKRDQK-CMVHYPBASA-N 1 2 408.568 2.398 20 0 HEADLO Cc1ccc(NC(=O)[C@@H](C)N2CC[NH+](CC[S@@](C)=O)CC2)c(Br)c1 ZINC000746471039 1079020210 /nfs/dbraw/zinc/02/02/10/1079020210.db2.gz UORUHBKYZUSJBC-JBEBIEQOSA-N 1 2 416.385 2.081 20 0 HEADLO COC(=O)c1ccc(-c2nc(CN3CC[NH+](CC[S@](C)=O)CC3)cs2)cc1 ZINC000746466290 1079024768 /nfs/dbraw/zinc/02/47/68/1079024768.db2.gz CPPBSSGHKVWWGC-MHZLTWQESA-N 1 2 407.561 2.093 20 0 HEADLO Cc1ccc(NC(=O)Cc2nc(CN3CC[NH+](CC[S@](C)=O)CC3)cs2)cc1 ZINC000746466099 1079025228 /nfs/dbraw/zinc/02/52/28/1079025228.db2.gz BGHXUTCIHMHCKE-NDEPHWFRSA-N 1 2 420.604 2.129 20 0 HEADLO C[S@@](=O)CC[NH+]1CCN(CC(=O)Nc2ccc(Br)cc2Cl)CC1 ZINC000746476684 1079031209 /nfs/dbraw/zinc/03/12/09/1079031209.db2.gz XBXHRDDJXXJVII-HSZRJFAPSA-N 1 2 422.776 2.037 20 0 HEADLO COc1ccc(CN2CC[C@H]([N@@H+]3CCn4c(nnc4C(F)(F)F)C3)CC2=O)cc1 ZINC001168926605 1079069703 /nfs/dbraw/zinc/06/97/03/1079069703.db2.gz KYLUWWCYNVTYRT-AWEZNQCLSA-N 1 2 409.412 2.312 20 0 HEADLO COc1ccc(CN2CC[C@H]([N@H+]3CCn4c(nnc4C(F)(F)F)C3)CC2=O)cc1 ZINC001168926605 1079069711 /nfs/dbraw/zinc/06/97/11/1079069711.db2.gz KYLUWWCYNVTYRT-AWEZNQCLSA-N 1 2 409.412 2.312 20 0 HEADLO CSC[C@H](C(=O)OCc1cccc2[nH+]ccn21)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000770920517 1079080760 /nfs/dbraw/zinc/08/07/60/1079080760.db2.gz KAUACIUYCQPVDT-OWCLPIDISA-N 1 2 401.488 2.284 20 0 HEADLO COC(=O)C1CCN(C(=O)c2cccnc2NCCc2cn3ccccc3[nH+]2)CC1 ZINC001169002254 1079096464 /nfs/dbraw/zinc/09/64/64/1079096464.db2.gz LYSXQTPYVXURPD-UHFFFAOYSA-N 1 2 407.474 2.409 20 0 HEADLO CC(C)(C)OC(=O)Nc1ccc(CC(=O)N2CCO[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC001168990889 1079101762 /nfs/dbraw/zinc/10/17/62/1079101762.db2.gz IVBHHOXWLZRQQB-IBGZPJMESA-N 1 2 419.522 2.136 20 0 HEADLO O=C(c1ccccc1OCc1cn2ccccc2n1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000771029619 1079109311 /nfs/dbraw/zinc/10/93/11/1079109311.db2.gz BSXIYMJVXWEGIQ-IBGZPJMESA-N 1 2 406.486 2.460 20 0 HEADLO O=C(Nc1c[nH]nc1[C@@H]1CCC[N@H+](C[C@H]2CCCS2(=O)=O)C1)c1ccccc1 ZINC001169187948 1079177718 /nfs/dbraw/zinc/17/77/18/1079177718.db2.gz NRXRUXFHMOLGSQ-IAGOWNOFSA-N 1 2 402.520 2.419 20 0 HEADLO O=C(Nc1c[nH]nc1[C@@H]1CCC[N@@H+](C[C@H]2CCCS2(=O)=O)C1)c1ccccc1 ZINC001169187948 1079177722 /nfs/dbraw/zinc/17/77/22/1079177722.db2.gz NRXRUXFHMOLGSQ-IAGOWNOFSA-N 1 2 402.520 2.419 20 0 HEADLO COC(=O)c1sc(N2CC[N@H+](C)C[C@@H]2CNC(=O)OC(C)(C)C)nc1Cl ZINC000771238409 1079221676 /nfs/dbraw/zinc/22/16/76/1079221676.db2.gz ABWUMMNDTZPWQQ-JTQLQIEISA-N 1 2 404.920 2.228 20 0 HEADLO COC(=O)c1sc(N2CC[N@@H+](C)C[C@@H]2CNC(=O)OC(C)(C)C)nc1Cl ZINC000771238409 1079221690 /nfs/dbraw/zinc/22/16/90/1079221690.db2.gz ABWUMMNDTZPWQQ-JTQLQIEISA-N 1 2 404.920 2.228 20 0 HEADLO CCOC(=O)[C@@H]1CC[C@H]([N@H+]2Cc3c(cnn3CC)[C@H](COc3cccnc3)C2)CO1 ZINC001169384584 1079256841 /nfs/dbraw/zinc/25/68/41/1079256841.db2.gz GEFZTBAOBKXDJR-FIKGOQFSSA-N 1 2 414.506 2.387 20 0 HEADLO CCOC(=O)[C@@H]1CC[C@H]([N@@H+]2Cc3c(cnn3CC)[C@H](COc3cccnc3)C2)CO1 ZINC001169384584 1079256857 /nfs/dbraw/zinc/25/68/57/1079256857.db2.gz GEFZTBAOBKXDJR-FIKGOQFSSA-N 1 2 414.506 2.387 20 0 HEADLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 ZINC001687510882 1079263059 /nfs/dbraw/zinc/26/30/59/1079263059.db2.gz HQAWILYLSXAHGZ-XSLAGTTESA-N 1 2 410.559 2.137 20 0 HEADLO CCOC(=O)N1CC[C@H](NC(=O)N[C@@H](c2ccc(Cl)cc2)[C@H]2C[N@H+](C)CCO2)C1 ZINC000771343953 1079298819 /nfs/dbraw/zinc/29/88/19/1079298819.db2.gz JPOKFRUQNHWUEV-KSZLIROESA-N 1 2 424.929 2.242 20 0 HEADLO CCOC(=O)N1CC[C@H](NC(=O)N[C@@H](c2ccc(Cl)cc2)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000771343953 1079298825 /nfs/dbraw/zinc/29/88/25/1079298825.db2.gz JPOKFRUQNHWUEV-KSZLIROESA-N 1 2 424.929 2.242 20 0 HEADLO CCOC(=O)C1(Nc2ccc(S(=O)(=O)CC(F)(F)F)cc2)CC[NH+](C)CC1 ZINC001169499907 1079315158 /nfs/dbraw/zinc/31/51/58/1079315158.db2.gz FONVNYLKVFDVDQ-UHFFFAOYSA-N 1 2 408.442 2.462 20 0 HEADLO CC(=O)N1CC[C@H]([NH+]2CCN(C(=O)c3ccc(NC(=O)OC(C)(C)C)cc3)CC2)C1 ZINC001169564913 1079332849 /nfs/dbraw/zinc/33/28/49/1079332849.db2.gz IPAZVUJZFUMINA-IBGZPJMESA-N 1 2 416.522 2.412 20 0 HEADLO CN(CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1)Cc1ncn(-c2ccccc2)n1 ZINC000771445709 1079347584 /nfs/dbraw/zinc/34/75/84/1079347584.db2.gz GIBXTRMJYVJZPY-UHFFFAOYSA-N 1 2 400.527 2.252 20 0 HEADLO O=C(CCc1nc(Cc2ccc3c[nH]nc3c2)no1)N1CCN(c2cccc[nH+]2)CC1 ZINC000771490934 1079356817 /nfs/dbraw/zinc/35/68/17/1079356817.db2.gz PSWMGJJHXDIEII-UHFFFAOYSA-N 1 2 417.473 2.213 20 0 HEADLO C[N@@H+]1CCOC[C@@H]1CNc1nc(Cl)nc2c1ccn2S(=O)(=O)c1ccccc1 ZINC001169653860 1079356954 /nfs/dbraw/zinc/35/69/54/1079356954.db2.gz SYJUNMVJHQIZRM-ZDUSSCGKSA-N 1 2 421.910 2.064 20 0 HEADLO C[N@H+]1CCOC[C@@H]1CNc1nc(Cl)nc2c1ccn2S(=O)(=O)c1ccccc1 ZINC001169653860 1079356962 /nfs/dbraw/zinc/35/69/62/1079356962.db2.gz SYJUNMVJHQIZRM-ZDUSSCGKSA-N 1 2 421.910 2.064 20 0 HEADLO CN(C[C@H](O)CN(C)C(=O)c1ccc(Cn2cc[nH+]c2)cc1)C(=O)OC(C)(C)C ZINC001169666957 1079362467 /nfs/dbraw/zinc/36/24/67/1079362467.db2.gz TXICFOTUFCVASY-GOSISDBHSA-N 1 2 402.495 2.231 20 0 HEADLO CCOC(=O)N1CCC[C@H]([NH+]2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)CC1 ZINC001169690717 1079371162 /nfs/dbraw/zinc/37/11/62/1079371162.db2.gz AUJJALJJYXNYCH-SFHVURJKSA-N 1 2 409.552 2.312 20 0 HEADLO CCOC(=O)C[N@H+](CCNC(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)OCC)CC1 ZINC001169703226 1079380229 /nfs/dbraw/zinc/38/02/29/1079380229.db2.gz LCAGEPPEKKVCGH-INIZCTEOSA-N 1 2 415.531 2.387 20 0 HEADLO CCOC(=O)C[N@@H+](CCNC(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)OCC)CC1 ZINC001169703226 1079380236 /nfs/dbraw/zinc/38/02/36/1079380236.db2.gz LCAGEPPEKKVCGH-INIZCTEOSA-N 1 2 415.531 2.387 20 0 HEADLO CCCn1nccc1NC(=O)C[N@H+](C)Cc1cccc(N2C[C@@H](C)CS2(=O)=O)c1 ZINC001169811613 1079429198 /nfs/dbraw/zinc/42/91/98/1079429198.db2.gz PJHSJPZVRXXKTD-MRXNPFEDSA-N 1 2 419.551 2.150 20 0 HEADLO CCCn1nccc1NC(=O)C[N@@H+](C)Cc1cccc(N2C[C@@H](C)CS2(=O)=O)c1 ZINC001169811613 1079429203 /nfs/dbraw/zinc/42/92/03/1079429203.db2.gz PJHSJPZVRXXKTD-MRXNPFEDSA-N 1 2 419.551 2.150 20 0 HEADLO CC[C@]1(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CCCN1C(=O)OC(C)(C)C ZINC000771662793 1079433113 /nfs/dbraw/zinc/43/31/13/1079433113.db2.gz DLURSGKNTNBIJW-OAQYLSRUSA-N 1 2 421.542 2.334 20 0 HEADLO COC(=O)c1cc(S(=O)(=O)N2CC[N@H+](C)CC2(C)C)c(F)cc1Br ZINC000766858984 1079444600 /nfs/dbraw/zinc/44/46/00/1079444600.db2.gz IXDQWTQLIMBTEP-UHFFFAOYSA-N 1 2 423.304 2.090 20 0 HEADLO COC(=O)c1cc(S(=O)(=O)N2CC[N@@H+](C)CC2(C)C)c(F)cc1Br ZINC000766858984 1079444607 /nfs/dbraw/zinc/44/46/07/1079444607.db2.gz IXDQWTQLIMBTEP-UHFFFAOYSA-N 1 2 423.304 2.090 20 0 HEADLO Ic1cnc2c(-c3noc(CCn4cc[nH+]c4)n3)cccn12 ZINC000771636949 1079444760 /nfs/dbraw/zinc/44/47/60/1079444760.db2.gz ZTPUCNNPGTZPSZ-UHFFFAOYSA-N 1 2 406.187 2.428 20 0 HEADLO COC(=O)[C@H](Cc1ccc(Br)cc1)[NH2+]C1CCC(S(C)(=O)=O)CC1 ZINC001169857033 1079449471 /nfs/dbraw/zinc/44/94/71/1079449471.db2.gz JSDTYLUBRGACIN-GPANFISMSA-N 1 2 418.353 2.479 20 0 HEADLO COC(=O)C1([NH2+]C2CCC(S(C)(=O)=O)CC2)CCN(Cc2ccccc2)CC1 ZINC001169863799 1079461740 /nfs/dbraw/zinc/46/17/40/1079461740.db2.gz MUUCBZNCEJLEHY-UHFFFAOYSA-N 1 2 408.564 2.140 20 0 HEADLO COC(=O)C[C@@H]1CN(Cc2ccccc2)CC[N@@H+]1C1CCC(S(C)(=O)=O)CC1 ZINC001169894286 1079467315 /nfs/dbraw/zinc/46/73/15/1079467315.db2.gz XZDWRHPTWNJWIL-IOJLRTSASA-N 1 2 408.564 2.092 20 0 HEADLO COC(=O)C[C@@H]1CN(Cc2ccccc2)CC[N@H+]1C1CCC(S(C)(=O)=O)CC1 ZINC001169894286 1079467324 /nfs/dbraw/zinc/46/73/24/1079467324.db2.gz XZDWRHPTWNJWIL-IOJLRTSASA-N 1 2 408.564 2.092 20 0 HEADLO C[C@@H]1CN(C(=O)C2CC[NH+](Cc3nccn3C)CC2)[C@H](C)CN1C(=O)OC(C)(C)C ZINC000771739514 1079473824 /nfs/dbraw/zinc/47/38/24/1079473824.db2.gz DVKFIPXABGHEEP-IAGOWNOFSA-N 1 2 419.570 2.488 20 0 HEADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C=Cc1cc2cnn(C(C)C)c2[nH]c1=O ZINC000771751924 1079482682 /nfs/dbraw/zinc/48/26/82/1079482682.db2.gz GZDXHFLZTLVUCH-QPJJXVBHSA-N 1 2 422.489 2.497 20 0 HEADLO CC(C)(C)OC(=O)NC(C)(C)CCC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000737806234 1075930536 /nfs/dbraw/zinc/93/05/36/1075930536.db2.gz JQCWDHZITPERSF-FQEVSTJZSA-N 1 2 415.600 2.394 20 0 HEADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)c1cc(S(N)(=O)=O)ccc1C ZINC000737934141 1075939488 /nfs/dbraw/zinc/93/94/88/1075939488.db2.gz AHOKHQONQQGVPE-UHFFFAOYSA-N 1 2 403.504 2.035 20 0 HEADLO C[N@H+](C[C@@H]1CCCO1)CN1C(=O)N[C@@](C)(c2ccc(F)cc2Br)C1=O ZINC000738067516 1075957068 /nfs/dbraw/zinc/95/70/68/1075957068.db2.gz YJQAOZLMPRLZSZ-SJCJKPOMSA-N 1 2 414.275 2.424 20 0 HEADLO C[N@@H+](C[C@@H]1CCCO1)CN1C(=O)N[C@@](C)(c2ccc(F)cc2Br)C1=O ZINC000738067516 1075957076 /nfs/dbraw/zinc/95/70/76/1075957076.db2.gz YJQAOZLMPRLZSZ-SJCJKPOMSA-N 1 2 414.275 2.424 20 0 HEADLO CCOC(=O)c1ccc(N2CCC[N@H+](CN3C(=O)C[C@@](C)(C(C)C)C3=O)CC2)nc1 ZINC000738113278 1075966605 /nfs/dbraw/zinc/96/66/05/1075966605.db2.gz XXGHAEZQCDUYFT-QFIPXVFZSA-N 1 2 416.522 2.149 20 0 HEADLO CCOC(=O)c1ccc(N2CCC[N@@H+](CN3C(=O)C[C@@](C)(C(C)C)C3=O)CC2)nc1 ZINC000738113278 1075966612 /nfs/dbraw/zinc/96/66/12/1075966612.db2.gz XXGHAEZQCDUYFT-QFIPXVFZSA-N 1 2 416.522 2.149 20 0 HEADLO Cc1ccc(Nc2cc(=O)n(C)c(=O)n2-c2ccccc2)c(C[NH+]2CCOCC2)c1 ZINC001169961325 1079495569 /nfs/dbraw/zinc/49/55/69/1079495569.db2.gz MOVKDDAFYNRBGR-UHFFFAOYSA-N 1 2 406.486 2.420 20 0 HEADLO C[N@H+](CCN1CCN(C(=O)OC(C)(C)C)CC1)CC(=O)Nc1c(F)cccc1F ZINC000738327239 1075981507 /nfs/dbraw/zinc/98/15/07/1075981507.db2.gz XVUAGRGQNVRFER-UHFFFAOYSA-N 1 2 412.481 2.388 20 0 HEADLO C[N@@H+](CCN1CCN(C(=O)OC(C)(C)C)CC1)CC(=O)Nc1c(F)cccc1F ZINC000738327239 1075981513 /nfs/dbraw/zinc/98/15/13/1075981513.db2.gz XVUAGRGQNVRFER-UHFFFAOYSA-N 1 2 412.481 2.388 20 0 HEADLO COc1ccc(S(=O)(=O)CCC(=O)N2CC[NH2+][C@@H](c3cccc(OC)c3)C2)cc1 ZINC001169963697 1079497938 /nfs/dbraw/zinc/49/79/38/1079497938.db2.gz MBTKTNHCYHYMEZ-HXUWFJFHSA-N 1 2 418.515 2.041 20 0 HEADLO Cc1ccc([C@@H](C)NC(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)s1 ZINC000738990656 1076040189 /nfs/dbraw/zinc/04/01/89/1076040189.db2.gz SEGWCEHRSDATPP-MRXNPFEDSA-N 1 2 416.551 2.276 20 0 HEADLO Cc1ccc([C@@H](C)NC(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)s1 ZINC000738990656 1076040194 /nfs/dbraw/zinc/04/01/94/1076040194.db2.gz SEGWCEHRSDATPP-MRXNPFEDSA-N 1 2 416.551 2.276 20 0 HEADLO O=C(NCC[NH+]1CCCC1)c1ccc(NS(=O)(=O)c2cccnc2Cl)cc1 ZINC000739383571 1076056984 /nfs/dbraw/zinc/05/69/84/1076056984.db2.gz ZOHUREYLTVBWSP-UHFFFAOYSA-N 1 2 408.911 2.361 20 0 HEADLO C[C@@](O)(CNC(=O)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1)c1cccs1 ZINC000740478073 1076185557 /nfs/dbraw/zinc/18/55/57/1076185557.db2.gz BFRNLYVDWXRJHB-GHTZIAJQSA-N 1 2 403.548 2.198 20 0 HEADLO C[C@@H]1C[N@H+](CN2C(=O)N[C@H](Cc3ccccc3)C2=O)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000740858067 1076270112 /nfs/dbraw/zinc/27/01/12/1076270112.db2.gz UJTKFMGLQRUPKT-BPQIPLTHSA-N 1 2 416.522 2.342 20 0 HEADLO C[C@@H]1C[N@@H+](CN2C(=O)N[C@H](Cc3ccccc3)C2=O)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000740858067 1076270123 /nfs/dbraw/zinc/27/01/23/1076270123.db2.gz UJTKFMGLQRUPKT-BPQIPLTHSA-N 1 2 416.522 2.342 20 0 HEADLO C[C@@H]1CN(c2cc(N3CCC[C@@H](CO)C3)[nH+]cn2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000740868865 1076275771 /nfs/dbraw/zinc/27/57/71/1076275771.db2.gz DOOPQSWGUAWHRA-ZACQAIPSSA-N 1 2 405.543 2.425 20 0 HEADLO C[C@@H]1CN(c2cc(N3CCC[C@@H](CO)C3)nc[nH+]2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000740868865 1076275782 /nfs/dbraw/zinc/27/57/82/1076275782.db2.gz DOOPQSWGUAWHRA-ZACQAIPSSA-N 1 2 405.543 2.425 20 0 HEADLO C[C@H]1C[N@H+](CC(=O)N2CC(=O)Nc3ccccc32)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000740880057 1076280402 /nfs/dbraw/zinc/28/04/02/1076280402.db2.gz SCGWUIYYIBJSCK-GJZGRUSLSA-N 1 2 402.495 2.207 20 0 HEADLO C[C@H]1C[N@@H+](CC(=O)N2CC(=O)Nc3ccccc32)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000740880057 1076280407 /nfs/dbraw/zinc/28/04/07/1076280407.db2.gz SCGWUIYYIBJSCK-GJZGRUSLSA-N 1 2 402.495 2.207 20 0 HEADLO C[C@@H]1C[N@H+](CC(=O)N2CC(=O)Nc3ccccc32)CC[C@H]1NC(=O)OC(C)(C)C ZINC000740880058 1076280764 /nfs/dbraw/zinc/28/07/64/1076280764.db2.gz SCGWUIYYIBJSCK-HUUCEWRRSA-N 1 2 402.495 2.207 20 0 HEADLO C[C@@H]1C[N@@H+](CC(=O)N2CC(=O)Nc3ccccc32)CC[C@H]1NC(=O)OC(C)(C)C ZINC000740880058 1076280775 /nfs/dbraw/zinc/28/07/75/1076280775.db2.gz SCGWUIYYIBJSCK-HUUCEWRRSA-N 1 2 402.495 2.207 20 0 HEADLO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc(S(C)(=O)=O)ccc2Cl)C[C@@H]1C ZINC000740893940 1076294595 /nfs/dbraw/zinc/29/45/95/1076294595.db2.gz GZBVOLJAJZFXLB-QWHCGFSZSA-N 1 2 408.973 2.237 20 0 HEADLO CC[N@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc(S(C)(=O)=O)ccc2Cl)C[C@@H]1C ZINC000740893940 1076294599 /nfs/dbraw/zinc/29/45/99/1076294599.db2.gz GZBVOLJAJZFXLB-QWHCGFSZSA-N 1 2 408.973 2.237 20 0 HEADLO C[C@@H](C(=O)OCC(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O)[NH+]1CCCCCC1 ZINC000741030953 1076331008 /nfs/dbraw/zinc/33/10/08/1076331008.db2.gz JVOIJBKEXRDUHZ-INIZCTEOSA-N 1 2 422.547 2.389 20 0 HEADLO C[C@@H](C(=O)OCC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)[NH+]1CCCCCC1 ZINC000741029653 1076344277 /nfs/dbraw/zinc/34/42/77/1076344277.db2.gz QZFQSUOKJQOLEX-KRWDZBQOSA-N 1 2 422.547 2.462 20 0 HEADLO CCOC(=O)Nc1ccc(NC(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)cc1 ZINC000741059638 1076347320 /nfs/dbraw/zinc/34/73/20/1076347320.db2.gz XGRXQKFQHSHRFR-UHFFFAOYSA-N 1 2 402.455 2.428 20 0 HEADLO O=C(NC[C@H](O)c1c(F)cccc1F)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000741087347 1076349979 /nfs/dbraw/zinc/34/99/79/1076349979.db2.gz WHFMQFQCOSJLRL-XLIONFOSSA-N 1 2 419.472 2.241 20 0 HEADLO CS(=O)(=O)Nc1ccc(COC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cc1 ZINC000741387504 1076496117 /nfs/dbraw/zinc/49/61/17/1076496117.db2.gz ZJOKLIYQDKSLJT-IBGZPJMESA-N 1 2 404.488 2.002 20 0 HEADLO CS(=O)(=O)Nc1ccc(COC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1 ZINC000741387504 1076496121 /nfs/dbraw/zinc/49/61/21/1076496121.db2.gz ZJOKLIYQDKSLJT-IBGZPJMESA-N 1 2 404.488 2.002 20 0 HEADLO CCc1ccc(CNC(=O)COC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)s1 ZINC000741379125 1076504365 /nfs/dbraw/zinc/50/43/65/1076504365.db2.gz NHQOACXAPLDLIC-LJQANCHMSA-N 1 2 402.516 2.371 20 0 HEADLO CCc1ccc(CNC(=O)COC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)s1 ZINC000741379125 1076504371 /nfs/dbraw/zinc/50/43/71/1076504371.db2.gz NHQOACXAPLDLIC-LJQANCHMSA-N 1 2 402.516 2.371 20 0 HEADLO O=C(COC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1)N1CCC(c2ccccc2)=N1 ZINC000741380900 1076505028 /nfs/dbraw/zinc/50/50/28/1076505028.db2.gz YNHWBMRANDXHEX-NRFANRHFSA-N 1 2 407.470 2.067 20 0 HEADLO O=C(COC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CCC(c2ccccc2)=N1 ZINC000741380900 1076505046 /nfs/dbraw/zinc/50/50/46/1076505046.db2.gz YNHWBMRANDXHEX-NRFANRHFSA-N 1 2 407.470 2.067 20 0 HEADLO O=C(OCc1cc(=O)n2cc(Cl)ccc2n1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000741384620 1076508426 /nfs/dbraw/zinc/50/84/26/1076508426.db2.gz DFOBWTXUBXKBQN-SFHVURJKSA-N 1 2 413.861 2.292 20 0 HEADLO O=C(OCc1cc(=O)n2cc(Cl)ccc2n1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000741384620 1076508429 /nfs/dbraw/zinc/50/84/29/1076508429.db2.gz DFOBWTXUBXKBQN-SFHVURJKSA-N 1 2 413.861 2.292 20 0 HEADLO O=C(COC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1)N1CCC[C@H](C(F)(F)F)C1 ZINC000741386144 1076509208 /nfs/dbraw/zinc/50/92/08/1076509208.db2.gz VFGZPEHLTKICTR-DLBZAZTESA-N 1 2 414.424 2.232 20 0 HEADLO O=C(COC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CCC[C@H](C(F)(F)F)C1 ZINC000741386144 1076509214 /nfs/dbraw/zinc/50/92/14/1076509214.db2.gz VFGZPEHLTKICTR-DLBZAZTESA-N 1 2 414.424 2.232 20 0 HEADLO CCOC(=O)[C@H]1CN(C(=O)Nc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CCO1 ZINC000741394096 1076519772 /nfs/dbraw/zinc/51/97/72/1076519772.db2.gz VQPUEQDRZFEUCL-JTDSTZFVSA-N 1 2 405.495 2.092 20 0 HEADLO CCOC(=O)[C@H]1CN(C(=O)Nc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CCO1 ZINC000741394096 1076519785 /nfs/dbraw/zinc/51/97/85/1076519785.db2.gz VQPUEQDRZFEUCL-JTDSTZFVSA-N 1 2 405.495 2.092 20 0 HEADLO O=C(NC[C@H](O)c1c(F)cccc1Cl)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000741431762 1076524336 /nfs/dbraw/zinc/52/43/36/1076524336.db2.gz RXQZIQIWEZHIBV-INIZCTEOSA-N 1 2 402.813 2.453 20 0 HEADLO CCOC(=O)c1cnn(C)c1NC(=O)C[NH+]1CCC(O)(c2cccc(C)c2C)CC1 ZINC000741808986 1076634544 /nfs/dbraw/zinc/63/45/44/1076634544.db2.gz KBTUKFMKBGYSFW-UHFFFAOYSA-N 1 2 414.506 2.136 20 0 HEADLO COc1cccc(OC)c1OC[C@H](O)C[N@@H+]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000741800066 1076640943 /nfs/dbraw/zinc/64/09/43/1076640943.db2.gz VPDZPTGILAKFPQ-HZPDHXFCSA-N 1 2 410.511 2.385 20 0 HEADLO COc1cccc(OC)c1OC[C@H](O)C[N@H+]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000741800066 1076640944 /nfs/dbraw/zinc/64/09/44/1076640944.db2.gz VPDZPTGILAKFPQ-HZPDHXFCSA-N 1 2 410.511 2.385 20 0 HEADLO CC(C)(C)OC(=O)N(CC(=O)N1CCN(c2cccc[nH+]2)CC1)C[C@H]1CCCO1 ZINC000741881112 1076664136 /nfs/dbraw/zinc/66/41/36/1076664136.db2.gz PLLTVJUYIIVEPY-QGZVFWFLSA-N 1 2 404.511 2.146 20 0 HEADLO CCCCCC[C@@H](C)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000741901296 1076664472 /nfs/dbraw/zinc/66/44/72/1076664472.db2.gz NXEUTFZTJKLGJB-GOSISDBHSA-N 1 2 410.584 2.256 20 0 HEADLO CN(C)c1ccc([NH+]2CCC(NC(=O)CNC(=O)COc3ccccc3)CC2)cc1 ZINC000742109801 1076744611 /nfs/dbraw/zinc/74/46/11/1076744611.db2.gz WVKMKPBXFJDEDI-UHFFFAOYSA-N 1 2 410.518 2.033 20 0 HEADLO CN(C)c1ccc([NH+]2CCC(NC(=O)[C@H]3CC[C@@H](C(F)(F)F)NC3=O)CC2)cc1 ZINC000742109332 1076744997 /nfs/dbraw/zinc/74/49/97/1076744997.db2.gz NGSNORQGFXINNS-SJORKVTESA-N 1 2 412.456 2.295 20 0 HEADLO CC(=O)[C@H]1CC(C(=O)N[C@@H](C)C2([NH+]3CCOCC3)CCCC2)=NN1c1ccccc1 ZINC000742197211 1076785387 /nfs/dbraw/zinc/78/53/87/1076785387.db2.gz ROSMNHHUDUBGPW-GHTZIAJQSA-N 1 2 412.534 2.360 20 0 HEADLO CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)N1C[C@H](n2cc[nH+]c2)Cc2ccccc21 ZINC000742231996 1076802479 /nfs/dbraw/zinc/80/24/79/1076802479.db2.gz NMPIFRNYUKQYCG-OAHLLOKOSA-N 1 2 415.475 2.084 20 0 HEADLO C[N@H+](CC(F)F)C1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2cccs2)CC1 ZINC000742236850 1076802943 /nfs/dbraw/zinc/80/29/43/1076802943.db2.gz AADYUUAWRHHJNT-AWEZNQCLSA-N 1 2 421.535 2.089 20 0 HEADLO C[N@@H+](CC(F)F)C1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2cccs2)CC1 ZINC000742236850 1076802944 /nfs/dbraw/zinc/80/29/44/1076802944.db2.gz AADYUUAWRHHJNT-AWEZNQCLSA-N 1 2 421.535 2.089 20 0 HEADLO CCCCS(=O)(=O)N1CCC(C(=O)N2CCC([N@H+](C)CC(F)F)CC2)CC1 ZINC000742236942 1076803052 /nfs/dbraw/zinc/80/30/52/1076803052.db2.gz BHYXCOLKVPJCLL-UHFFFAOYSA-N 1 2 409.543 2.016 20 0 HEADLO CCCCS(=O)(=O)N1CCC(C(=O)N2CCC([N@@H+](C)CC(F)F)CC2)CC1 ZINC000742236942 1076803053 /nfs/dbraw/zinc/80/30/53/1076803053.db2.gz BHYXCOLKVPJCLL-UHFFFAOYSA-N 1 2 409.543 2.016 20 0 HEADLO C[N@H+](CC(F)F)C1CCN(C(=O)c2cccc(N3CCCS3(=O)=O)c2)CC1 ZINC000742238874 1076803622 /nfs/dbraw/zinc/80/36/22/1076803622.db2.gz NCPBWZGJYPSQEG-UHFFFAOYSA-N 1 2 401.479 2.028 20 0 HEADLO C[N@@H+](CC(F)F)C1CCN(C(=O)c2cccc(N3CCCS3(=O)=O)c2)CC1 ZINC000742238874 1076803623 /nfs/dbraw/zinc/80/36/23/1076803623.db2.gz NCPBWZGJYPSQEG-UHFFFAOYSA-N 1 2 401.479 2.028 20 0 HEADLO C[C@H](c1cccnc1)N1C(=O)C[C@@H]([N@@H+]2CCc3c(cccc3N3CCOC3=O)C2)C1=O ZINC000742267204 1076811534 /nfs/dbraw/zinc/81/15/34/1076811534.db2.gz YHAWMLWUBAQSMR-FOIQADDNSA-N 1 2 420.469 2.285 20 0 HEADLO C[C@H](c1cccnc1)N1C(=O)C[C@@H]([N@H+]2CCc3c(cccc3N3CCOC3=O)C2)C1=O ZINC000742267204 1076811535 /nfs/dbraw/zinc/81/15/35/1076811535.db2.gz YHAWMLWUBAQSMR-FOIQADDNSA-N 1 2 420.469 2.285 20 0 HEADLO O=S(=O)(/C=C\c1cccc(Br)c1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000742316213 1076828488 /nfs/dbraw/zinc/82/84/88/1076828488.db2.gz FONHTDQNVYFSGP-XKGFZTIGSA-N 1 2 415.353 2.404 20 0 HEADLO COC(=O)c1ccc(S(=O)(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)o1 ZINC000742317499 1076828801 /nfs/dbraw/zinc/82/88/01/1076828801.db2.gz JXUVLJJSTDAJJX-UHFFFAOYSA-N 1 2 407.492 2.080 20 0 HEADLO CCOC(=O)N1CCC(S(=O)(=O)N[C@H](Cc2[nH+]ccn2C)c2ccccc2)CC1 ZINC000742342181 1076830964 /nfs/dbraw/zinc/83/09/64/1076830964.db2.gz ZBKPFXSWNGDWMV-GOSISDBHSA-N 1 2 420.535 2.244 20 0 HEADLO O=C(c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1)N1CC[NH+](C2CC2)CC1 ZINC000742446988 1076838647 /nfs/dbraw/zinc/83/86/47/1076838647.db2.gz QMEVAJNEIQXOBQ-UHFFFAOYSA-N 1 2 411.955 2.435 20 0 HEADLO COc1ccc(C[NH+]2CCN(Cn3cc(C)n(-c4cc(C)on4)c3=O)CC2)cc1F ZINC000742535031 1076848481 /nfs/dbraw/zinc/84/84/81/1076848481.db2.gz LXSYUCNPUGWKLT-UHFFFAOYSA-N 1 2 415.469 2.167 20 0 HEADLO Cc1cc(C)cc(NC(=S)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)c1 ZINC000737464856 1076857773 /nfs/dbraw/zinc/85/77/73/1076857773.db2.gz AMZHHOFNVMFTRN-UHFFFAOYSA-N 1 2 412.563 2.449 20 0 HEADLO Cc1cc(C)cc(NC(=S)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)c1 ZINC000737464856 1076857774 /nfs/dbraw/zinc/85/77/74/1076857774.db2.gz AMZHHOFNVMFTRN-UHFFFAOYSA-N 1 2 412.563 2.449 20 0 HEADLO O=C([C@@H]1CC(=O)N(Cc2ccccc2Cl)C1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000742761258 1076874843 /nfs/dbraw/zinc/87/48/43/1076874843.db2.gz HDFJJJLTAIPXIK-MSOLQXFVSA-N 1 2 405.926 2.012 20 0 HEADLO Cc1ccc(C2N=NC(=S)N2CCC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)cc1 ZINC000742763645 1076874933 /nfs/dbraw/zinc/87/49/33/1076874933.db2.gz XJDAAKWGBAJGON-GOSISDBHSA-N 1 2 415.563 2.256 20 0 HEADLO C[C@@H]1NC(C(=O)N[C@@H](Cc2[nH+]ccn2C)c2ccccc2)=NN(c2ccccc2)C1=O ZINC000742859109 1076889580 /nfs/dbraw/zinc/88/95/80/1076889580.db2.gz TYECYDKDVCAXJT-LPHOPBHVSA-N 1 2 416.485 2.159 20 0 HEADLO Cc1cc([C@](C)(O)CNC(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)c(C)o1 ZINC000743087560 1076956874 /nfs/dbraw/zinc/95/68/74/1076956874.db2.gz PMXHLQUZJNBFIX-JOCHJYFZSA-N 1 2 414.506 2.313 20 0 HEADLO Cc1ccc(NC(=O)COC(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000766297774 1077007010 /nfs/dbraw/zinc/00/70/10/1077007010.db2.gz ICFHHSBBVIGSSR-UHFFFAOYSA-N 1 2 410.474 2.001 20 0 HEADLO Cc1c(NC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)cccc1N1CCOC1=O ZINC000743243385 1077012961 /nfs/dbraw/zinc/01/29/61/1077012961.db2.gz GDGIAMNAUKYFFK-HXUWFJFHSA-N 1 2 420.535 2.281 20 0 HEADLO O=C1CN(/C=C\c2ccccc2)C(=O)N1C[NH+]1CCC(c2nnc3n2CCC3)CC1 ZINC000743354244 1077031085 /nfs/dbraw/zinc/03/10/85/1077031085.db2.gz NYZGYQLYSGAOPC-ZSOIEALJSA-N 1 2 406.490 2.296 20 0 HEADLO C[C@@H]1C[N@@H+](CN2C(=O)N[C@@](C)(CCc3ccc4c(c3)OCO4)C2=O)C[C@H](C)S1 ZINC000743374987 1077035514 /nfs/dbraw/zinc/03/55/14/1077035514.db2.gz DWJOHVWYVRHCFP-MNVSYLFESA-N 1 2 405.520 2.442 20 0 HEADLO C[C@@H]1C[N@H+](CN2C(=O)N[C@@](C)(CCc3ccc4c(c3)OCO4)C2=O)C[C@H](C)S1 ZINC000743374987 1077035517 /nfs/dbraw/zinc/03/55/17/1077035517.db2.gz DWJOHVWYVRHCFP-MNVSYLFESA-N 1 2 405.520 2.442 20 0 HEADLO CN(C[C@H]1CCC[N@@H+]1CN1C(=O)NC(C2CC2)(C2CC2)C1=O)C(=O)OC(C)(C)C ZINC000743392823 1077040580 /nfs/dbraw/zinc/04/05/80/1077040580.db2.gz CSZBJMLZADDYAF-MRXNPFEDSA-N 1 2 406.527 2.386 20 0 HEADLO CN(C[C@H]1CCC[N@H+]1CN1C(=O)NC(C2CC2)(C2CC2)C1=O)C(=O)OC(C)(C)C ZINC000743392823 1077040586 /nfs/dbraw/zinc/04/05/86/1077040586.db2.gz CSZBJMLZADDYAF-MRXNPFEDSA-N 1 2 406.527 2.386 20 0 HEADLO CC[C@@H]1C[N@H+](CN2C(=O)N[C@@](C)(CCc3ccc4c(c3)OCO4)C2=O)CCS1 ZINC000743399588 1077042729 /nfs/dbraw/zinc/04/27/29/1077042729.db2.gz CSKLDGZYQNQGDY-QRWLVFNGSA-N 1 2 405.520 2.443 20 0 HEADLO CC[C@@H]1C[N@@H+](CN2C(=O)N[C@@](C)(CCc3ccc4c(c3)OCO4)C2=O)CCS1 ZINC000743399588 1077042734 /nfs/dbraw/zinc/04/27/34/1077042734.db2.gz CSKLDGZYQNQGDY-QRWLVFNGSA-N 1 2 405.520 2.443 20 0 HEADLO CC[C@@H]1C[N@H+](CN2C(=O)N[C@](C)(CCc3ccc4c(c3)OCO4)C2=O)CCS1 ZINC000743399586 1077042799 /nfs/dbraw/zinc/04/27/99/1077042799.db2.gz CSKLDGZYQNQGDY-FOIQADDNSA-N 1 2 405.520 2.443 20 0 HEADLO CC[C@@H]1C[N@@H+](CN2C(=O)N[C@](C)(CCc3ccc4c(c3)OCO4)C2=O)CCS1 ZINC000743399586 1077042803 /nfs/dbraw/zinc/04/28/03/1077042803.db2.gz CSKLDGZYQNQGDY-FOIQADDNSA-N 1 2 405.520 2.443 20 0 HEADLO COc1c(C)c[nH+]c(CNC(=O)N2CCN(Cc3cccc(F)c3)C(=O)C2)c1C ZINC000743575795 1077071795 /nfs/dbraw/zinc/07/17/95/1077071795.db2.gz YHHRDSMGFDSLAF-UHFFFAOYSA-N 1 2 400.454 2.400 20 0 HEADLO CN(C)c1ccc([NH+]2CCC(NC(=O)NCCc3cccc(C(N)=O)c3)CC2)cc1 ZINC000743580516 1077072791 /nfs/dbraw/zinc/07/27/91/1077072791.db2.gz GRXQUCXXZSVNRK-UHFFFAOYSA-N 1 2 409.534 2.362 20 0 HEADLO O=C(NCC[C@@H](O)c1ccccc1)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000743567402 1077073961 /nfs/dbraw/zinc/07/39/61/1077073961.db2.gz OPLJRPGYKCXRHQ-OAQYLSRUSA-N 1 2 413.518 2.321 20 0 HEADLO CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@@H]1NC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000743622940 1077076655 /nfs/dbraw/zinc/07/66/55/1077076655.db2.gz SDZDPSNMHVTVCG-IRXDYDNUSA-N 1 2 412.575 2.480 20 0 HEADLO CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@@H]1NC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000743622940 1077076658 /nfs/dbraw/zinc/07/66/58/1077076658.db2.gz SDZDPSNMHVTVCG-IRXDYDNUSA-N 1 2 412.575 2.480 20 0 HEADLO O=C(CN1C(=S)N=NC1c1ccc(Cl)cc1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000743728291 1077097678 /nfs/dbraw/zinc/09/76/78/1077097678.db2.gz NDABESMATSXDAJ-MRXNPFEDSA-N 1 2 421.954 2.210 20 0 HEADLO CC(C)(C)OC(=O)NC(C)(C)c1noc(CN2CCC[C@@H]2C[NH+]2CCOCC2)n1 ZINC000743857830 1077145536 /nfs/dbraw/zinc/14/55/36/1077145536.db2.gz TWIDEALNBZKLBX-OAHLLOKOSA-N 1 2 409.531 2.126 20 0 HEADLO CC(C)(C)OC(=O)NC(C)(C)c1noc(C[N@@H+]2CCC[C@@H]2CN2CCOCC2)n1 ZINC000743857830 1077145538 /nfs/dbraw/zinc/14/55/38/1077145538.db2.gz TWIDEALNBZKLBX-OAHLLOKOSA-N 1 2 409.531 2.126 20 0 HEADLO CC(C)(C)OC(=O)NC(C)(C)c1noc(C[N@H+]2CCC[C@@H]2CN2CCOCC2)n1 ZINC000743857830 1077145545 /nfs/dbraw/zinc/14/55/45/1077145545.db2.gz TWIDEALNBZKLBX-OAHLLOKOSA-N 1 2 409.531 2.126 20 0 HEADLO CN(C)S(=O)(=O)c1ccc(F)c(C(=O)Nc2cccc(C[NH+]3CCOCC3)c2)c1 ZINC000743886326 1077178442 /nfs/dbraw/zinc/17/84/42/1077178442.db2.gz WVSUCWBSFFDWFH-UHFFFAOYSA-N 1 2 421.494 2.161 20 0 HEADLO COc1c(C)c[nH+]c(CNC(=O)C(=O)Nc2cc(N3CCOC3=O)ccc2C)c1C ZINC000743902171 1077214838 /nfs/dbraw/zinc/21/48/38/1077214838.db2.gz WMFYMSQWGQGONF-UHFFFAOYSA-N 1 2 412.446 2.227 20 0 HEADLO C[C@H](c1cccc(NC(=O)C(=O)NCC[C@H](O)c2ccccc2)c1)[NH+]1CCOCC1 ZINC000743979072 1077292891 /nfs/dbraw/zinc/29/28/91/1077292891.db2.gz BOWTWCYCIBRDCM-UTKZUKDTSA-N 1 2 411.502 2.258 20 0 HEADLO C[C@@H](c1cccc(NC(=O)C(=O)NCC[C@@H](O)c2ccccc2)c1)[NH+]1CCOCC1 ZINC000743979070 1077292974 /nfs/dbraw/zinc/29/29/74/1077292974.db2.gz BOWTWCYCIBRDCM-LAUBAEHRSA-N 1 2 411.502 2.258 20 0 HEADLO Cn1cc[nH+]c1C[C@H](NC(=O)C(=O)Nc1ccc(-n2nccn2)cc1)c1ccccc1 ZINC000743985087 1077296523 /nfs/dbraw/zinc/29/65/23/1077296523.db2.gz ABQSLPNKCBYMOA-IBGZPJMESA-N 1 2 415.457 2.040 20 0 HEADLO CN(C)C(=O)c1ccccc1NC(=O)C(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000743985626 1077296676 /nfs/dbraw/zinc/29/66/76/1077296676.db2.gz KBLHSEXUVBWQDF-LJQANCHMSA-N 1 2 419.485 2.161 20 0 HEADLO Cn1ccnc1[C@](O)(CC(=O)Nc1cccc(C[NH+]2CCOCC2)c1)C(F)(F)F ZINC000744339001 1077369116 /nfs/dbraw/zinc/36/91/16/1077369116.db2.gz WOYDHJGXNFMUON-GOSISDBHSA-N 1 2 412.412 2.031 20 0 HEADLO CN(C)C(=O)c1ccc(NC(=O)C[N@@H+]2CCc3c(cccc3N3CCOC3=O)C2)cc1 ZINC000744415267 1077378189 /nfs/dbraw/zinc/37/81/89/1077378189.db2.gz XXTYPFYIVZURSN-UHFFFAOYSA-N 1 2 422.485 2.342 20 0 HEADLO CN(C)C(=O)c1ccc(NC(=O)C[N@H+]2CCc3c(cccc3N3CCOC3=O)C2)cc1 ZINC000744415267 1077378196 /nfs/dbraw/zinc/37/81/96/1077378196.db2.gz XXTYPFYIVZURSN-UHFFFAOYSA-N 1 2 422.485 2.342 20 0 HEADLO CC[N@@H+]1CCCC[C@@H]1C(=O)O[C@H](C)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O ZINC000745087337 1077724133 /nfs/dbraw/zinc/72/41/33/1077724133.db2.gz RHHNSTDSULJFFH-SJLPKXTDSA-N 1 2 414.506 2.229 20 0 HEADLO CC[N@H+]1CCCC[C@@H]1C(=O)O[C@H](C)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O ZINC000745087337 1077724140 /nfs/dbraw/zinc/72/41/40/1077724140.db2.gz RHHNSTDSULJFFH-SJLPKXTDSA-N 1 2 414.506 2.229 20 0 HEADLO CC[N@@H+]1CCCC[C@@H]1C(=O)OCC(=O)N1CCN(Cc2cccc(Cl)c2)CC1 ZINC000745088089 1077725950 /nfs/dbraw/zinc/72/59/50/1077725950.db2.gz TVHKTZJWUOGXBV-LJQANCHMSA-N 1 2 407.942 2.402 20 0 HEADLO CC[N@H+]1CCCC[C@@H]1C(=O)OCC(=O)N1CCN(Cc2cccc(Cl)c2)CC1 ZINC000745088089 1077725977 /nfs/dbraw/zinc/72/59/77/1077725977.db2.gz TVHKTZJWUOGXBV-LJQANCHMSA-N 1 2 407.942 2.402 20 0 HEADLO CS(=O)(=O)Cc1nc(COC(=O)C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cs1 ZINC000745102234 1077731683 /nfs/dbraw/zinc/73/16/83/1077731683.db2.gz PPCPSIFPBWBERH-QGZVFWFLSA-N 1 2 424.544 2.022 20 0 HEADLO CS(=O)(=O)Cc1nc(COC(=O)C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cs1 ZINC000745102234 1077731689 /nfs/dbraw/zinc/73/16/89/1077731689.db2.gz PPCPSIFPBWBERH-QGZVFWFLSA-N 1 2 424.544 2.022 20 0 HEADLO CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)COC(=O)[C@H]1CCCC[N@@H+]1C ZINC000745078831 1077733977 /nfs/dbraw/zinc/73/39/77/1077733977.db2.gz GNEDVVWDJQNIAA-CYBMUJFWSA-N 1 2 410.492 2.402 20 0 HEADLO CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)COC(=O)[C@H]1CCCC[N@H+]1C ZINC000745078831 1077733989 /nfs/dbraw/zinc/73/39/89/1077733989.db2.gz GNEDVVWDJQNIAA-CYBMUJFWSA-N 1 2 410.492 2.402 20 0 HEADLO Cn1nc(C(C)(C)C)cc1NC(=O)COC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000745111817 1077745589 /nfs/dbraw/zinc/74/55/89/1077745589.db2.gz PQGLCFMSEFUPRA-KRWDZBQOSA-N 1 2 414.506 2.100 20 0 HEADLO Cn1nc(C(C)(C)C)cc1NC(=O)COC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000745111817 1077745597 /nfs/dbraw/zinc/74/55/97/1077745597.db2.gz PQGLCFMSEFUPRA-KRWDZBQOSA-N 1 2 414.506 2.100 20 0 HEADLO Cn1nc(C(C)(C)C)cc1NC(=O)COC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000745111818 1077745713 /nfs/dbraw/zinc/74/57/13/1077745713.db2.gz PQGLCFMSEFUPRA-QGZVFWFLSA-N 1 2 414.506 2.100 20 0 HEADLO Cn1nc(C(C)(C)C)cc1NC(=O)COC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000745111818 1077745718 /nfs/dbraw/zinc/74/57/18/1077745718.db2.gz PQGLCFMSEFUPRA-QGZVFWFLSA-N 1 2 414.506 2.100 20 0 HEADLO Cc1ccc(N2CC[C@H](NC(=O)NC[C@H]3C[N@H+](Cc4ccccc4)CCO3)C2=O)cc1 ZINC000745290371 1077804479 /nfs/dbraw/zinc/80/44/79/1077804479.db2.gz XWTJHXYHWQYBCS-VXKWHMMOSA-N 1 2 422.529 2.301 20 0 HEADLO Cc1ccc(N2CC[C@H](NC(=O)NC[C@H]3C[N@@H+](Cc4ccccc4)CCO3)C2=O)cc1 ZINC000745290371 1077804480 /nfs/dbraw/zinc/80/44/80/1077804480.db2.gz XWTJHXYHWQYBCS-VXKWHMMOSA-N 1 2 422.529 2.301 20 0 HEADLO COc1ccccc1[C@H](NC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1)c1nccn1C ZINC000745402196 1077818514 /nfs/dbraw/zinc/81/85/14/1077818514.db2.gz ZSJZRHAKKITLGS-XLIONFOSSA-N 1 2 413.522 2.024 20 0 HEADLO COc1ccccc1[C@@H](NC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1)c1nccn1C ZINC000745402197 1077818551 /nfs/dbraw/zinc/81/85/51/1077818551.db2.gz ZSJZRHAKKITLGS-YLJYHZDGSA-N 1 2 413.522 2.024 20 0 HEADLO O=C(OCCn1cc[nH+]c1)C1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 ZINC000771891148 1079578934 /nfs/dbraw/zinc/57/89/34/1079578934.db2.gz YXXLSQFTNAJOQI-UHFFFAOYSA-N 1 2 415.874 2.320 20 0 HEADLO CN(CCN1CC[NH+](Cc2ccccc2)CC1)C(=O)CSc1n[nH]c(=S)s1 ZINC000804345892 1079586128 /nfs/dbraw/zinc/58/61/28/1079586128.db2.gz TXKUECDZDDARMG-UHFFFAOYSA-N 1 2 423.633 2.195 20 0 HEADLO C[N@@H+]1CCN(S(=O)(=O)CCNC(=O)OCc2ccccc2)[C@@H](c2ccccc2)C1 ZINC000767080880 1079651065 /nfs/dbraw/zinc/65/10/65/1079651065.db2.gz QNJXKUSWCZVZEC-HXUWFJFHSA-N 1 2 417.531 2.231 20 0 HEADLO C[N@H+]1CCN(S(=O)(=O)CCNC(=O)OCc2ccccc2)[C@@H](c2ccccc2)C1 ZINC000767080880 1079651080 /nfs/dbraw/zinc/65/10/80/1079651080.db2.gz QNJXKUSWCZVZEC-HXUWFJFHSA-N 1 2 417.531 2.231 20 0 HEADLO C[C@H](OC(=O)C[N@H+](C)[C@@H]1CCSC1)C(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000767111924 1079665145 /nfs/dbraw/zinc/66/51/45/1079665145.db2.gz NRKMBSUDMPQPES-WMLDXEAASA-N 1 2 405.520 2.121 20 0 HEADLO C[C@H](OC(=O)C[N@@H+](C)[C@@H]1CCSC1)C(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000767111924 1079665162 /nfs/dbraw/zinc/66/51/62/1079665162.db2.gz NRKMBSUDMPQPES-WMLDXEAASA-N 1 2 405.520 2.121 20 0 HEADLO C[N@H+](CC(=O)OCC(=O)N[C@@H](c1nccs1)c1ccccc1)[C@H]1CCSC1 ZINC000767111906 1079665387 /nfs/dbraw/zinc/66/53/87/1079665387.db2.gz NLXDRCONDQXKOR-MAUKXSAKSA-N 1 2 405.545 2.329 20 0 HEADLO C[N@@H+](CC(=O)OCC(=O)N[C@@H](c1nccs1)c1ccccc1)[C@H]1CCSC1 ZINC000767111906 1079665399 /nfs/dbraw/zinc/66/53/99/1079665399.db2.gz NLXDRCONDQXKOR-MAUKXSAKSA-N 1 2 405.545 2.329 20 0 HEADLO C[C@H](OC(=O)C[N@H+](C)[C@H]1CCSC1)C(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000767111925 1079665646 /nfs/dbraw/zinc/66/56/46/1079665646.db2.gz NRKMBSUDMPQPES-YOEHRIQHSA-N 1 2 405.520 2.121 20 0 HEADLO C[C@H](OC(=O)C[N@@H+](C)[C@H]1CCSC1)C(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000767111925 1079665656 /nfs/dbraw/zinc/66/56/56/1079665656.db2.gz NRKMBSUDMPQPES-YOEHRIQHSA-N 1 2 405.520 2.121 20 0 HEADLO C[N@H+](CC(=O)OCC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2)[C@H]1CCSC1 ZINC000772045990 1079667687 /nfs/dbraw/zinc/66/76/87/1079667687.db2.gz FGGXVORRFKDIMJ-DLBZAZTESA-N 1 2 420.531 2.102 20 0 HEADLO C[N@@H+](CC(=O)OCC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2)[C@H]1CCSC1 ZINC000772045990 1079667695 /nfs/dbraw/zinc/66/76/95/1079667695.db2.gz FGGXVORRFKDIMJ-DLBZAZTESA-N 1 2 420.531 2.102 20 0 HEADLO C[C@H](OC(=O)C[N@H+](C)[C@H]1CCSC1)C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000772057592 1079676701 /nfs/dbraw/zinc/67/67/01/1079676701.db2.gz CXKRRBBJGHOSMA-SCLWLPJFSA-N 1 2 423.579 2.150 20 0 HEADLO C[C@H](OC(=O)C[N@@H+](C)[C@H]1CCSC1)C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000772057592 1079676709 /nfs/dbraw/zinc/67/67/09/1079676709.db2.gz CXKRRBBJGHOSMA-SCLWLPJFSA-N 1 2 423.579 2.150 20 0 HEADLO CCOC(=O)c1c(C)c(C)sc1NC(=O)COC(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000772058356 1079677404 /nfs/dbraw/zinc/67/74/04/1079677404.db2.gz FKVLNBFLCKKQSZ-CYBMUJFWSA-N 1 2 414.549 2.461 20 0 HEADLO CCOC(=O)c1c(C)c(C)sc1NC(=O)COC(=O)C[N@@H+](C)[C@@H]1CCSC1 ZINC000772058356 1079677407 /nfs/dbraw/zinc/67/74/07/1079677407.db2.gz FKVLNBFLCKKQSZ-CYBMUJFWSA-N 1 2 414.549 2.461 20 0 HEADLO CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)C3(F)CCCC3)cc2)CC1 ZINC000772019541 1079681427 /nfs/dbraw/zinc/68/14/27/1079681427.db2.gz GTKQLUJLQPLWJE-UHFFFAOYSA-N 1 2 405.514 2.171 20 0 HEADLO CC(C)[C@H](NC(=O)COC(=O)C[N@H+](C)[C@H]1CCSC1)c1ccc2c(c1)OCCO2 ZINC000772061957 1079705179 /nfs/dbraw/zinc/70/51/79/1079705179.db2.gz OVSYSLFZTIHSAG-KKSFZXQISA-N 1 2 422.547 2.252 20 0 HEADLO CC(C)[C@H](NC(=O)COC(=O)C[N@@H+](C)[C@H]1CCSC1)c1ccc2c(c1)OCCO2 ZINC000772061957 1079705189 /nfs/dbraw/zinc/70/51/89/1079705189.db2.gz OVSYSLFZTIHSAG-KKSFZXQISA-N 1 2 422.547 2.252 20 0 HEADLO CC(=O)C(C)(C)CCC(=O)OCC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000772293121 1079798338 /nfs/dbraw/zinc/79/83/38/1079798338.db2.gz YJCBKEJTQJCQJD-UHFFFAOYSA-N 1 2 416.518 2.204 20 0 HEADLO NC(=O)c1cc(OC2CC[NH+](CC(=O)Nc3ccc(F)c(Cl)c3)CC2)ccn1 ZINC000772334738 1079828254 /nfs/dbraw/zinc/82/82/54/1079828254.db2.gz YCJJIRLEAUGVPX-UHFFFAOYSA-N 1 2 406.845 2.455 20 0 HEADLO NC(=O)c1cc(OC2CC[NH+]([C@@H]3CCCN(c4ccccc4F)C3=O)CC2)ccn1 ZINC000772336987 1079829221 /nfs/dbraw/zinc/82/92/21/1079829221.db2.gz YQCDBXNIWDSTQY-HXUWFJFHSA-N 1 2 412.465 2.358 20 0 HEADLO COc1cc(NC(=O)[C@@H]2C[C@H]2C)c(C(=O)OCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)cc1OC ZINC000767411681 1079837716 /nfs/dbraw/zinc/83/77/16/1079837716.db2.gz WTBMRCIJEXDVDL-LVQVYYBASA-N 1 2 418.490 2.318 20 0 HEADLO COc1cc(NC(=O)[C@@H]2C[C@H]2C)c(C(=O)OCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)cc1OC ZINC000767411681 1079837722 /nfs/dbraw/zinc/83/77/22/1079837722.db2.gz WTBMRCIJEXDVDL-LVQVYYBASA-N 1 2 418.490 2.318 20 0 HEADLO Fc1ccc(-c2nnc(SCCC3OCCO3)n2CC[NH+]2CCOCC2)cc1 ZINC000767384667 1079840352 /nfs/dbraw/zinc/84/03/52/1079840352.db2.gz IDRSHPBZYZXZIU-UHFFFAOYSA-N 1 2 408.499 2.272 20 0 HEADLO CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000767431217 1079860029 /nfs/dbraw/zinc/86/00/29/1079860029.db2.gz PROYBAFEMBAFEB-ICSRJNTNSA-N 1 2 404.555 2.080 20 0 HEADLO CSCC[C@@H](NC(=O)c1cccc(C)c1)C(=O)OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000767453183 1079879670 /nfs/dbraw/zinc/87/96/70/1079879670.db2.gz WOQQUVINRQNDES-CEXWTWQISA-N 1 2 406.548 2.253 20 0 HEADLO CSCC[C@@H](NC(=O)c1cccc(C)c1)C(=O)OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000767453183 1079879671 /nfs/dbraw/zinc/87/96/71/1079879671.db2.gz WOQQUVINRQNDES-CEXWTWQISA-N 1 2 406.548 2.253 20 0 HEADLO O=C(OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)[C@H]1CS[C@]2(c3ccc(F)cc3)CCC(=O)N12 ZINC000767456204 1079882303 /nfs/dbraw/zinc/88/23/03/1079882303.db2.gz CRVOMFPVJAADNQ-IIMDRIAPSA-N 1 2 420.506 2.123 20 0 HEADLO O=C(OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)[C@H]1CS[C@]2(c3ccc(F)cc3)CCC(=O)N12 ZINC000767456204 1079882305 /nfs/dbraw/zinc/88/23/05/1079882305.db2.gz CRVOMFPVJAADNQ-IIMDRIAPSA-N 1 2 420.506 2.123 20 0 HEADLO O=C(Nc1ccccc1F)N1CCC[C@@H](C(=O)OCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000767490769 1079907581 /nfs/dbraw/zinc/90/75/81/1079907581.db2.gz OEKDYXXDJNNTDV-ZACQAIPSSA-N 1 2 405.470 2.476 20 0 HEADLO O=C(Nc1ccccc1F)N1CCC[C@@H](C(=O)OCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000767490769 1079907587 /nfs/dbraw/zinc/90/75/87/1079907587.db2.gz OEKDYXXDJNNTDV-ZACQAIPSSA-N 1 2 405.470 2.476 20 0 HEADLO O=C(CCOc1ccccc1)N1CCC[C@H](C(=O)OCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000767515893 1079914512 /nfs/dbraw/zinc/91/45/12/1079914512.db2.gz SQXIVMMGLLGWJG-SESVDKBCSA-N 1 2 416.518 2.101 20 0 HEADLO O=C(CCOc1ccccc1)N1CCC[C@H](C(=O)OCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000767515893 1079914522 /nfs/dbraw/zinc/91/45/22/1079914522.db2.gz SQXIVMMGLLGWJG-SESVDKBCSA-N 1 2 416.518 2.101 20 0 HEADLO CCOc1cc(NC2CC[NH+](CN3C[C@@](C)(c4ccccn4)CC3=O)CC2)ncn1 ZINC000767521848 1079917252 /nfs/dbraw/zinc/91/72/52/1079917252.db2.gz ATUWXUKVOZSRGB-QFIPXVFZSA-N 1 2 410.522 2.294 20 0 HEADLO Cc1ccc(S(=O)(=O)N[C@H](CC[N@@H+]2CCOC[C@@H]2CCO)c2ccccc2)cc1 ZINC000767597787 1079996776 /nfs/dbraw/zinc/99/67/76/1079996776.db2.gz IAHRLZOAAYMCKB-RBBKRZOGSA-N 1 2 418.559 2.488 20 0 HEADLO Cc1ccc(S(=O)(=O)N[C@H](CC[N@H+]2CCOC[C@@H]2CCO)c2ccccc2)cc1 ZINC000767597787 1079996791 /nfs/dbraw/zinc/99/67/91/1079996791.db2.gz IAHRLZOAAYMCKB-RBBKRZOGSA-N 1 2 418.559 2.488 20 0 HEADLO CN(C)c1cc(COC(=O)CCNC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)cc[nH+]1 ZINC000767599313 1079997613 /nfs/dbraw/zinc/99/76/13/1079997613.db2.gz TVARCUFYOLPCFM-MRXNPFEDSA-N 1 2 420.510 2.097 20 0 HEADLO Cc1ccc(S(N)(=O)=O)c(C(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)c1 ZINC000767605316 1080001661 /nfs/dbraw/zinc/00/16/61/1080001661.db2.gz FACMWNLFFYEQGJ-UHFFFAOYSA-N 1 2 416.547 2.107 20 0 HEADLO COc1ccc(OC)c([C@H](C)NC(=O)C(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000785500145 1080022037 /nfs/dbraw/zinc/02/20/37/1080022037.db2.gz NOQBJCUFTVZETM-LSDHHAIUSA-N 1 2 400.479 2.021 20 0 HEADLO COc1ccc(OC)c([C@H](C)NC(=O)C(=O)NCc2[nH+]cc(C)c(OC)c2C)c1 ZINC000785502772 1080023616 /nfs/dbraw/zinc/02/36/16/1080023616.db2.gz TUUHYILWVWSDBT-AWEZNQCLSA-N 1 2 401.463 2.218 20 0 HEADLO O=C(COC(=O)C[C@@H]1CSCCS1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000767695173 1080027033 /nfs/dbraw/zinc/02/70/33/1080027033.db2.gz DMLRYRJECZKBMD-QGZVFWFLSA-N 1 2 410.561 2.239 20 0 HEADLO COC(=O)c1cc(C(=O)N2CC[NH2+][C@H](c3cccc(OC)c3)C2)n(-c2ccccc2)n1 ZINC001169973017 1080051211 /nfs/dbraw/zinc/05/12/11/1080051211.db2.gz AFHIZXPMLTVHNP-FQEVSTJZSA-N 1 2 420.469 2.454 20 0 HEADLO COC(=O)c1ccc(CNC(=O)N[C@@H]2CCn3cc[nH+]c3C2)c(Br)c1 ZINC000785585432 1080061977 /nfs/dbraw/zinc/06/19/77/1080061977.db2.gz KUUXBRUBCFHBPZ-CYBMUJFWSA-N 1 2 407.268 2.246 20 0 HEADLO CS(=O)(=O)Nc1ccc(N2CC[NH+](CC(=O)NCCC3=CCCCC3)CC2)cc1 ZINC000767746773 1080064698 /nfs/dbraw/zinc/06/46/98/1080064698.db2.gz JEMOZABRUVYMIJ-UHFFFAOYSA-N 1 2 420.579 2.187 20 0 HEADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)C(=O)NCCCCOc2ccc(F)cc2)C1 ZINC000785609136 1080076923 /nfs/dbraw/zinc/07/69/23/1080076923.db2.gz PEXWWWIQWKRHTK-MRXNPFEDSA-N 1 2 402.470 2.241 20 0 HEADLO C[NH+](C)[C@H](CNC(=O)C1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H](C1)C2=O)c1ccco1 ZINC000767770687 1080079857 /nfs/dbraw/zinc/07/98/57/1080079857.db2.gz KUUXUOBSCDFJEL-NPYXIHBLSA-N 1 2 419.522 2.461 20 0 HEADLO CN(CC1CCCCC1)C(=O)C[NH+]1CCN(c2ccc(NS(C)(=O)=O)cc2)CC1 ZINC000767753237 1080086495 /nfs/dbraw/zinc/08/64/95/1080086495.db2.gz LSMZMPMAWMJPQN-UHFFFAOYSA-N 1 2 422.595 2.219 20 0 HEADLO COc1cccc([C@H]2CN(C(=O)C3CCN(C(=O)[C@@H](C)CSC)CC3)CC[NH2+]2)c1 ZINC001169975265 1080087469 /nfs/dbraw/zinc/08/74/69/1080087469.db2.gz PIKUYYIRCSXXNF-OXJNMPFZSA-N 1 2 419.591 2.406 20 0 HEADLO O=C(C[NH+]1CCC(O)(c2ccccc2)CC1)NCC(=O)Nc1ccc(F)c(F)c1 ZINC000767855497 1080176138 /nfs/dbraw/zinc/17/61/38/1080176138.db2.gz OXKUSGJHMOMTTF-UHFFFAOYSA-N 1 2 403.429 2.003 20 0 HEADLO C[C@@H](OC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc(OC(F)F)cc1 ZINC000785656561 1080177908 /nfs/dbraw/zinc/17/79/08/1080177908.db2.gz CQZAUMYEUVDUBI-ZBFHGGJFSA-N 1 2 412.433 2.073 20 0 HEADLO O=C(OCCc1cc(Cl)cc(Cl)c1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000785661228 1080181875 /nfs/dbraw/zinc/18/18/75/1080181875.db2.gz UHIKBOPFRQNROY-OAHLLOKOSA-N 1 2 415.317 2.260 20 0 HEADLO Cc1nnnn1-c1ccc(F)c(NC(=O)C[NH+]2CCC(O)(c3ccccc3)CC2)c1 ZINC000767860103 1080183087 /nfs/dbraw/zinc/18/30/87/1080183087.db2.gz XOFCWWSIIMJFNU-UHFFFAOYSA-N 1 2 410.453 2.032 20 0 HEADLO CC(C)(C)OC(=O)N1CCC[C@H](OCC(=O)NCCc2cn3c([nH+]2)CCCC3)C1 ZINC000767864280 1080187608 /nfs/dbraw/zinc/18/76/08/1080187608.db2.gz NNRGLWGHISPQLO-KRWDZBQOSA-N 1 2 406.527 2.294 20 0 HEADLO CCOC(Cn1cc(C(=O)NCC[N@@H+]2CCc3c(Cl)cccc3C2)nn1)OCC ZINC000785724567 1080201243 /nfs/dbraw/zinc/20/12/43/1080201243.db2.gz DFXSWCLDSVYJOG-UHFFFAOYSA-N 1 2 421.929 2.119 20 0 HEADLO CCOC(Cn1cc(C(=O)NCC[N@H+]2CCc3c(Cl)cccc3C2)nn1)OCC ZINC000785724567 1080201245 /nfs/dbraw/zinc/20/12/45/1080201245.db2.gz DFXSWCLDSVYJOG-UHFFFAOYSA-N 1 2 421.929 2.119 20 0 HEADLO CCOC1CC(CNC(=O)NCCSCc2ccccc2)([NH+]2CCOCC2)C1 ZINC000767895598 1080209574 /nfs/dbraw/zinc/20/95/74/1080209574.db2.gz IOKCQQJRURIAQO-UHFFFAOYSA-N 1 2 407.580 2.489 20 0 HEADLO CCOC1CC(CNC(=O)N[C@H]2CCCc3cn(C(C)C)nc32)([NH+]2CCOCC2)C1 ZINC000767896870 1080220443 /nfs/dbraw/zinc/22/04/43/1080220443.db2.gz RGRKYGBQIBCYEM-LVIWNVNYSA-N 1 2 419.570 2.411 20 0 HEADLO COc1ccc(CN2CCC[N@H+](C[C@H](O)c3cc(OC)ccc3OC)CC2=O)cc1 ZINC000767931618 1080228676 /nfs/dbraw/zinc/22/86/76/1080228676.db2.gz NXBASRRACSXVNT-NRFANRHFSA-N 1 2 414.502 2.480 20 0 HEADLO COc1ccc(CN2CCC[N@@H+](C[C@H](O)c3cc(OC)ccc3OC)CC2=O)cc1 ZINC000767931618 1080228683 /nfs/dbraw/zinc/22/86/83/1080228683.db2.gz NXBASRRACSXVNT-NRFANRHFSA-N 1 2 414.502 2.480 20 0 HEADLO CC[C@@H]1c2ccsc2CCN1C(=O)C[N@H+](CCO)CCNC(=O)OC(C)(C)C ZINC000767930931 1080229512 /nfs/dbraw/zinc/22/95/12/1080229512.db2.gz LWXDYEGFPLVUKM-MRXNPFEDSA-N 1 2 411.568 2.403 20 0 HEADLO CC[C@@H]1c2ccsc2CCN1C(=O)C[N@@H+](CCO)CCNC(=O)OC(C)(C)C ZINC000767930931 1080229524 /nfs/dbraw/zinc/22/95/24/1080229524.db2.gz LWXDYEGFPLVUKM-MRXNPFEDSA-N 1 2 411.568 2.403 20 0 HEADLO Cc1cccc([C@H](O)CNC(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)c1 ZINC000767934446 1080230068 /nfs/dbraw/zinc/23/00/68/1080230068.db2.gz TXSNOTBOWFLLNR-OAQYLSRUSA-N 1 2 410.518 2.431 20 0 HEADLO Cc1cc(NC(=O)N2CCC[C@H](C(=O)NCCNC(=O)OC(C)(C)C)C2)c(C)c[nH+]1 ZINC000767943283 1080235965 /nfs/dbraw/zinc/23/59/65/1080235965.db2.gz OQJMYHDRNQWOGK-INIZCTEOSA-N 1 2 419.526 2.005 20 0 HEADLO CC(C)(C)OC(=O)N1C[C@H]([N@@H+]2CCC(=O)C(C)(C)C2)C[C@H]1C(=O)N1CCSC1 ZINC001170049846 1080250018 /nfs/dbraw/zinc/25/00/18/1080250018.db2.gz FRVOYZJNLSTSMC-CABCVRRESA-N 1 2 411.568 2.198 20 0 HEADLO CC(C)(C)OC(=O)N1C[C@H]([N@H+]2CCC(=O)C(C)(C)C2)C[C@H]1C(=O)N1CCSC1 ZINC001170049846 1080250030 /nfs/dbraw/zinc/25/00/30/1080250030.db2.gz FRVOYZJNLSTSMC-CABCVRRESA-N 1 2 411.568 2.198 20 0 HEADLO CS(=O)(=O)c1cc(C(=O)NCC2([NH+]3CCSCC3)CCCC2)ccc1F ZINC000785850366 1080281191 /nfs/dbraw/zinc/28/11/91/1080281191.db2.gz FIWRAVMCDGJQIS-UHFFFAOYSA-N 1 2 400.541 2.321 20 0 HEADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@](C)(NC(=O)OC(C)(C)C)c1ccccc1 ZINC000768122549 1080337422 /nfs/dbraw/zinc/33/74/22/1080337422.db2.gz WYJPTBLXPIANPR-KKSFZXQISA-N 1 2 416.478 2.050 20 0 HEADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@](C)(NC(=O)OC(C)(C)C)c1ccccc1 ZINC000768122549 1080337427 /nfs/dbraw/zinc/33/74/27/1080337427.db2.gz WYJPTBLXPIANPR-KKSFZXQISA-N 1 2 416.478 2.050 20 0 HEADLO COc1c(C)c[nH+]c(CNC(=O)C(=O)Nc2cc(C(=O)NCC3CC3)ccc2C)c1C ZINC000785984126 1080345109 /nfs/dbraw/zinc/34/51/09/1080345109.db2.gz FTKQPPHWWLCJCK-UHFFFAOYSA-N 1 2 424.501 2.410 20 0 HEADLO CN(C)C(=O)COc1ccccc1C(F)(F)C(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000768129299 1080363867 /nfs/dbraw/zinc/36/38/67/1080363867.db2.gz VEOCQINUDHJKSX-OAHLLOKOSA-N 1 2 420.460 2.385 20 0 HEADLO CCc1cc(C)c(C(=O)OCC(=O)NCc2ccccc2C[NH+]2CCOCC2)o1 ZINC000768131501 1080365209 /nfs/dbraw/zinc/36/52/09/1080365209.db2.gz HXZRPHHBGGEBKJ-UHFFFAOYSA-N 1 2 400.475 2.456 20 0 HEADLO O=C(Nc1cnc(Cl)c(Br)c1)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000768200917 1080390650 /nfs/dbraw/zinc/39/06/50/1080390650.db2.gz IRNKSVJRVPQNHH-JTQLQIEISA-N 1 2 424.686 2.226 20 0 HEADLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)C(=O)Nc2cnc(Cl)c(Br)c2)C1 ZINC000768205462 1080395666 /nfs/dbraw/zinc/39/56/66/1080395666.db2.gz CXBVMBQRLSSRKZ-VIFPVBQESA-N 1 2 412.675 2.186 20 0 HEADLO NS(=O)(=O)c1ccc(NC(=O)C2CC[NH+](Cc3coc(C4CC4)n3)CC2)cc1 ZINC000768207782 1080396726 /nfs/dbraw/zinc/39/67/26/1080396726.db2.gz JUBMPNNPVUYVBU-UHFFFAOYSA-N 1 2 404.492 2.050 20 0 HEADLO O=C(NCCc1cnn(-c2ccccc2)c1)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000786119617 1080409848 /nfs/dbraw/zinc/40/98/48/1080409848.db2.gz HTANBMBFKCIXIZ-UHFFFAOYSA-N 1 2 414.469 2.033 20 0 HEADLO Cc1cc(N2CCN(C(=O)COC(=O)c3coc(C4CC4)n3)CC2)nc(C(C)C)[nH+]1 ZINC000786147720 1080423080 /nfs/dbraw/zinc/42/30/80/1080423080.db2.gz AZSCRXMYEJUAAT-UHFFFAOYSA-N 1 2 413.478 2.279 20 0 HEADLO Cc1ccc(Cc2nc(C(=O)NC3CC[NH+](CCS(C)(=O)=O)CC3)cs2)cc1 ZINC000768403811 1080526421 /nfs/dbraw/zinc/52/64/21/1080526421.db2.gz ZGYQVVGDYQELLV-UHFFFAOYSA-N 1 2 421.588 2.281 20 0 HEADLO COc1ccc(NS(=O)(=O)c2cc(C(=O)NC3CC[NH+](C)CC3)ccc2F)cc1 ZINC000746581660 1080575230 /nfs/dbraw/zinc/57/52/30/1080575230.db2.gz CYXXMIPFYAPUAM-UHFFFAOYSA-N 1 2 421.494 2.459 20 0 HEADLO CC1(C)CCC[C@@]2(C1)NC(=O)N(CC(=O)NCc1ccc(-n3cc[nH+]c3)cc1)C2=O ZINC000768563179 1080630876 /nfs/dbraw/zinc/63/08/76/1080630876.db2.gz ZSCFCMMZWFCXFJ-QFIPXVFZSA-N 1 2 409.490 2.379 20 0 HEADLO O=C(NCCc1ccc(Cl)nc1)C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000786467521 1080646645 /nfs/dbraw/zinc/64/66/45/1080646645.db2.gz IEXNFHBLELWUED-UHFFFAOYSA-N 1 2 401.898 2.095 20 0 HEADLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)C(=O)N1CCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000786507196 1080663065 /nfs/dbraw/zinc/66/30/65/1080663065.db2.gz UXPHEYAQPNKEAL-QZTJIDSGSA-N 1 2 412.490 2.006 20 0 HEADLO O=C(COC(=O)Cc1ccc2c[nH]nc2c1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000786565840 1080692225 /nfs/dbraw/zinc/69/22/25/1080692225.db2.gz UVWKXAPDFHKSRK-UHFFFAOYSA-N 1 2 408.458 2.120 20 0 HEADLO Cc1ccc(NC(=O)CN(C)C(=O)C[N@@H+](C)CCN(C)C(=O)OC(C)(C)C)cc1 ZINC000768746463 1080769600 /nfs/dbraw/zinc/76/96/00/1080769600.db2.gz UZVBAYCLDWGLCL-UHFFFAOYSA-N 1 2 406.527 2.191 20 0 HEADLO Cc1ccc(NC(=O)CN(C)C(=O)C[N@H+](C)CCN(C)C(=O)OC(C)(C)C)cc1 ZINC000768746463 1080769608 /nfs/dbraw/zinc/76/96/08/1080769608.db2.gz UZVBAYCLDWGLCL-UHFFFAOYSA-N 1 2 406.527 2.191 20 0 HEADLO Cn1c[nH+]cc1COC(=O)CCCNS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000768796081 1080801716 /nfs/dbraw/zinc/80/17/16/1080801716.db2.gz CALPJONVFGWHAK-UHFFFAOYSA-N 1 2 405.398 2.241 20 0 HEADLO CCOC(=O)c1ccc2c(c1)n(C[N@@H+]1CCOC3(CCOCC3)CC1)c(=O)n2CC ZINC000768912943 1080853723 /nfs/dbraw/zinc/85/37/23/1080853723.db2.gz MTJKZTBYKKBQFU-UHFFFAOYSA-N 1 2 417.506 2.229 20 0 HEADLO CCOC(=O)c1ccc2c(c1)n(C[N@H+]1CCOC3(CCOCC3)CC1)c(=O)n2CC ZINC000768912943 1080853725 /nfs/dbraw/zinc/85/37/25/1080853725.db2.gz MTJKZTBYKKBQFU-UHFFFAOYSA-N 1 2 417.506 2.229 20 0 HEADLO C[C@@]1(c2cccc(Cl)c2)NC(=O)N(C[N@@H+]2CCOC3(CCOCC3)CC2)C1=O ZINC000768912979 1080853792 /nfs/dbraw/zinc/85/37/92/1080853792.db2.gz NCTJDNVQJMFASZ-IBGZPJMESA-N 1 2 407.898 2.336 20 0 HEADLO C[C@@]1(c2cccc(Cl)c2)NC(=O)N(C[N@H+]2CCOC3(CCOCC3)CC2)C1=O ZINC000768912979 1080853797 /nfs/dbraw/zinc/85/37/97/1080853797.db2.gz NCTJDNVQJMFASZ-IBGZPJMESA-N 1 2 407.898 2.336 20 0 HEADLO CC(=O)Nc1ccc(C(=O)OCC(=O)N2CC[NH+](Cc3ccsc3)CC2)cc1F ZINC000768985439 1080875422 /nfs/dbraw/zinc/87/54/22/1080875422.db2.gz AQULZBNIODSZKZ-UHFFFAOYSA-N 1 2 419.478 2.347 20 0 HEADLO COc1cc(COC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)ccc1SC ZINC000786997835 1080910072 /nfs/dbraw/zinc/91/00/72/1080910072.db2.gz PFZNXANZYBUHQM-QGZVFWFLSA-N 1 2 422.547 2.174 20 0 HEADLO O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)OCc1csc(-c2ccoc2)n1 ZINC000787000823 1080914103 /nfs/dbraw/zinc/91/41/03/1080914103.db2.gz QWUFEGJXRHLNOC-QGZVFWFLSA-N 1 2 419.503 2.160 20 0 HEADLO C[C@H](C[NH+]1CCOCC1)NC(=O)[C@H]1c2ccccc2CCN1C(=O)OC(C)(C)C ZINC000769122453 1080944250 /nfs/dbraw/zinc/94/42/50/1080944250.db2.gz JRVIUHIPRUXDCC-VQIMIIECSA-N 1 2 403.523 2.358 20 0 HEADLO C[C@@H]1CN(C(=O)c2ccc3c(c2)[nH]c(=S)n(Cc2ccco2)c3=O)[C@@H](C)C[N@@H+]1C ZINC000769141974 1080957538 /nfs/dbraw/zinc/95/75/38/1080957538.db2.gz WAINMDOZVMVCDN-KGLIPLIRSA-N 1 2 412.515 2.491 20 0 HEADLO C[C@@H]1CN(C(=O)c2ccc3c(c2)[nH]c(=S)n(Cc2ccco2)c3=O)[C@@H](C)C[N@H+]1C ZINC000769141974 1080957545 /nfs/dbraw/zinc/95/75/45/1080957545.db2.gz WAINMDOZVMVCDN-KGLIPLIRSA-N 1 2 412.515 2.491 20 0 HEADLO CC(C)(C)OC(=O)NC1CC[NH+](CC(=O)NCC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000769142265 1080957719 /nfs/dbraw/zinc/95/77/19/1080957719.db2.gz BUWCHGDOUJXKQP-UHFFFAOYSA-N 1 2 424.929 2.384 20 0 HEADLO C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)c1ccc2c(c1)[nH]c(=S)n(Cc1ccco1)c2=O ZINC000769141976 1080958051 /nfs/dbraw/zinc/95/80/51/1080958051.db2.gz WAINMDOZVMVCDN-ZIAGYGMSSA-N 1 2 412.515 2.491 20 0 HEADLO C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)c1ccc2c(c1)[nH]c(=S)n(Cc1ccco1)c2=O ZINC000769141976 1080958056 /nfs/dbraw/zinc/95/80/56/1080958056.db2.gz WAINMDOZVMVCDN-ZIAGYGMSSA-N 1 2 412.515 2.491 20 0 HEADLO Cc1ccc(N(C(=O)C[NH2+][C@H](CCO)c2ccco2)[C@H]2C=CS(=O)(=O)C2)cc1C ZINC000769221019 1081006177 /nfs/dbraw/zinc/00/61/77/1081006177.db2.gz LDEPEVFUZMOPPU-RBUKOAKNSA-N 1 2 418.515 2.253 20 0 HEADLO C[N@@H+]1CCN(C(=O)c2c[nH]c(=O)c3ccccc23)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000787115578 1081006561 /nfs/dbraw/zinc/00/65/61/1081006561.db2.gz TXYHZRMNYCIGBU-CQSZACIVSA-N 1 2 400.479 2.221 20 0 HEADLO C[N@H+]1CCN(C(=O)c2c[nH]c(=O)c3ccccc23)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000787115578 1081006570 /nfs/dbraw/zinc/00/65/70/1081006570.db2.gz TXYHZRMNYCIGBU-CQSZACIVSA-N 1 2 400.479 2.221 20 0 HEADLO Cc1cc([C@](C)(O)CNC(=O)C[NH+]2CCC(NC(=O)OC(C)(C)C)CC2)c(C)o1 ZINC000769249365 1081016034 /nfs/dbraw/zinc/01/60/34/1081016034.db2.gz YHLQYJKIBHBZHN-OAQYLSRUSA-N 1 2 409.527 2.209 20 0 HEADLO C[C@H]1C[N@H+](CCNC(=O)N[C@H]2CCN(c3cccc(Br)c3)C2)CCO1 ZINC000787139719 1081024123 /nfs/dbraw/zinc/02/41/23/1081024123.db2.gz UKTATYBQTWWPIK-HOCLYGCPSA-N 1 2 411.344 2.048 20 0 HEADLO C[C@H]1C[N@@H+](CCNC(=O)N[C@H]2CCN(c3cccc(Br)c3)C2)CCO1 ZINC000787139719 1081024128 /nfs/dbraw/zinc/02/41/28/1081024128.db2.gz UKTATYBQTWWPIK-HOCLYGCPSA-N 1 2 411.344 2.048 20 0 HEADLO CC(C)(C)OC(=O)NC1CC[NH+](CC(=O)NC[C@H](O)c2c(F)cccc2F)CC1 ZINC000769299739 1081034581 /nfs/dbraw/zinc/03/45/81/1081034581.db2.gz GNTUATCBBGSNLJ-INIZCTEOSA-N 1 2 413.465 2.104 20 0 HEADLO CC(C)(C)OC(=O)N[C@@H]1CCC[N@@H+]([C@@H]2CC(=O)N(CCc3ccccc3F)C2=O)C1 ZINC000787162157 1081039848 /nfs/dbraw/zinc/03/98/48/1081039848.db2.gz IAJFYRGBMAZDIW-SJLPKXTDSA-N 1 2 419.497 2.485 20 0 HEADLO CC(C)(C)OC(=O)N[C@@H]1CCC[N@H+]([C@@H]2CC(=O)N(CCc3ccccc3F)C2=O)C1 ZINC000787162157 1081039856 /nfs/dbraw/zinc/03/98/56/1081039856.db2.gz IAJFYRGBMAZDIW-SJLPKXTDSA-N 1 2 419.497 2.485 20 0 HEADLO O=C(NCCO)C1CC[NH+](Cc2cc(Br)ccc2OC(F)F)CC1 ZINC000746650922 1081048348 /nfs/dbraw/zinc/04/83/48/1081048348.db2.gz NOJYVDYMQRUIBN-UHFFFAOYSA-N 1 2 407.255 2.371 20 0 HEADLO CC(C)Oc1ccc(C(=O)OCC(=O)N2CC[NH+](Cc3ccsc3)CC2)nc1 ZINC000769375184 1081056342 /nfs/dbraw/zinc/05/63/42/1081056342.db2.gz VCOPSJDLWQLNJQ-UHFFFAOYSA-N 1 2 403.504 2.432 20 0 HEADLO Cc1nc(CN2CC[NH+](Cc3cc4ccccc4nc3N3CCOCC3)CC2)no1 ZINC000769382522 1081058837 /nfs/dbraw/zinc/05/88/37/1081058837.db2.gz XOUYVNZHIUTLRE-UHFFFAOYSA-N 1 2 408.506 2.081 20 0 HEADLO CCc1nc(CN2CC[NH+](Cc3cc4ccccc4nc3N3CCOCC3)CC2)no1 ZINC000769384752 1081059712 /nfs/dbraw/zinc/05/97/12/1081059712.db2.gz VVVFVIXGRHLQSV-UHFFFAOYSA-N 1 2 422.533 2.335 20 0 HEADLO Cc1cccnc1C(F)(F)C(=O)OCC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000787207222 1081062345 /nfs/dbraw/zinc/06/23/45/1081062345.db2.gz ZVPAWKCNYAQMBI-UHFFFAOYSA-N 1 2 409.458 2.431 20 0 HEADLO C[C@H]1CCCN(Cc2cnc(N3CC[NH+](C)CC3)nc2)[C@H]1CNC(=O)OC(C)(C)C ZINC000769427275 1081070477 /nfs/dbraw/zinc/07/04/77/1081070477.db2.gz XECKNDPMZNNIQG-HKUYNNGSSA-N 1 2 418.586 2.354 20 0 HEADLO COC(=O)c1cccc(NC(=O)C[N@@H+]2CCC[C@H]2CN(C)C(=O)OC(C)(C)C)n1 ZINC000787251014 1081071788 /nfs/dbraw/zinc/07/17/88/1081071788.db2.gz ANPOHOMROODVOZ-AWEZNQCLSA-N 1 2 406.483 2.138 20 0 HEADLO COC(=O)c1cccc(NC(=O)C[N@H+]2CCC[C@H]2CN(C)C(=O)OC(C)(C)C)n1 ZINC000787251014 1081071792 /nfs/dbraw/zinc/07/17/92/1081071792.db2.gz ANPOHOMROODVOZ-AWEZNQCLSA-N 1 2 406.483 2.138 20 0 HEADLO CCOc1c(Br)cc(CN2CC[NH+](CC[S@@](C)=O)CC2)cc1OC ZINC000769480487 1081078037 /nfs/dbraw/zinc/07/80/37/1081078037.db2.gz OFJVGZIVRSCTTM-XMMPIXPASA-N 1 2 419.385 2.353 20 0 HEADLO C[C@@H]1CN=C(N2CC[NH+](Cc3ccccc3OCC(=O)NCC3CC3)CC2)S1 ZINC000769487038 1081080085 /nfs/dbraw/zinc/08/00/85/1081080085.db2.gz GUJUMJUMXBPWPT-MRXNPFEDSA-N 1 2 402.564 2.201 20 0 HEADLO COc1cc(CNC(=O)C(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)ccc1OC(C)C ZINC000787237474 1081084380 /nfs/dbraw/zinc/08/43/80/1081084380.db2.gz LBNLIIPRWBVIOK-AEFFLSMTSA-N 1 2 414.506 2.405 20 0 HEADLO COc1ccccc1NC(=O)CN1CC[NH+]([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000769527404 1081109640 /nfs/dbraw/zinc/10/96/40/1081109640.db2.gz GKBVWCYCFRKWQG-KRWDZBQOSA-N 1 2 418.538 2.261 20 0 HEADLO CN(C)C(=O)COc1ccc(C(F)(F)C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000769569754 1081128934 /nfs/dbraw/zinc/12/89/34/1081128934.db2.gz GACJMMLNNCGRSF-INIZCTEOSA-N 1 2 406.433 2.306 20 0 HEADLO COCCN1CC[N@H+](C)C2(CCN(c3ccc4c(Cl)ccnc4n3)CC2)C1=O ZINC001164640794 719276823 /nfs/dbraw/zinc/27/68/23/719276823.db2.gz PGGNQPQLWWMJGA-UHFFFAOYSA-N 1 2 403.914 2.043 20 0 HEADLO COCCN1CC[N@@H+](C)C2(CCN(c3ccc4c(Cl)ccnc4n3)CC2)C1=O ZINC001164640794 719276827 /nfs/dbraw/zinc/27/68/27/719276827.db2.gz PGGNQPQLWWMJGA-UHFFFAOYSA-N 1 2 403.914 2.043 20 0 HEADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(Cl)ncc1SC ZINC001164701569 719856319 /nfs/dbraw/zinc/85/63/19/719856319.db2.gz LFBPBNNGAPLANZ-SJCJKPOMSA-N 1 2 400.932 2.085 20 0 HEADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cncc(OCC2CCCC2)n1 ZINC001164707999 719877656 /nfs/dbraw/zinc/87/76/56/719877656.db2.gz XDCALPBOLXKHIM-XMSQKQJNSA-N 1 2 418.538 2.278 20 0 HEADLO Cc1cc(Cl)c(C)c(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)n1 ZINC001164708680 719911287 /nfs/dbraw/zinc/91/12/87/719911287.db2.gz GSNUYHZEFKIKEG-UHFFFAOYSA-N 1 2 402.930 2.036 20 0 HEADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3ccc(C)c(Cl)n3)C2)C1 ZINC001164720017 720256534 /nfs/dbraw/zinc/25/65/34/720256534.db2.gz QLCJOLMXULPBRM-SFHVURJKSA-N 1 2 416.900 2.253 20 0 HEADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3ccc(C)c(Cl)n3)C2)C1 ZINC001164720017 720256540 /nfs/dbraw/zinc/25/65/40/720256540.db2.gz QLCJOLMXULPBRM-SFHVURJKSA-N 1 2 416.900 2.253 20 0 HEADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nc(Cl)cc(C(C)(C)C)n3)C2)C1 ZINC001164720729 720275199 /nfs/dbraw/zinc/27/51/99/720275199.db2.gz COHIAORWAMGHAK-HXUWFJFHSA-N 1 2 409.962 2.092 20 0 HEADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nc(Cl)cc(C(C)(C)C)n3)C2)C1 ZINC001164720729 720275202 /nfs/dbraw/zinc/27/52/02/720275202.db2.gz COHIAORWAMGHAK-HXUWFJFHSA-N 1 2 409.962 2.092 20 0 HEADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4cc(C5CC5)ncn4)CC3)C2=O)cs1 ZINC001164820194 720381119 /nfs/dbraw/zinc/38/11/19/720381119.db2.gz MAXAIYMVASJWKD-UHFFFAOYSA-N 1 2 412.563 2.432 20 0 HEADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4cc(C5CC5)ncn4)CC3)C2=O)cs1 ZINC001164820194 720381126 /nfs/dbraw/zinc/38/11/26/720381126.db2.gz MAXAIYMVASJWKD-UHFFFAOYSA-N 1 2 412.563 2.432 20 0 HEADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1ccc3ccccc3n1)C2 ZINC001164827079 720430582 /nfs/dbraw/zinc/43/05/82/720430582.db2.gz QVZVNDKRQIGNMX-LJQANCHMSA-N 1 2 407.518 2.421 20 0 HEADLO O=c1cc(Cn2cc[nH+]c2)nc2n1CCCN([C@@H](F)Oc1ccc(Cl)nc1)C2 ZINC001164858660 720896207 /nfs/dbraw/zinc/89/62/07/720896207.db2.gz NBRPSLNUHPPRGP-GOSISDBHSA-N 1 2 404.833 2.074 20 0 HEADLO CSc1nc(C)cc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164911079 721767085 /nfs/dbraw/zinc/76/70/85/721767085.db2.gz DWGPJLIYUJNDKX-HXUWFJFHSA-N 1 2 401.536 2.010 20 0 HEADLO CSc1nc(C)cc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164911079 721767088 /nfs/dbraw/zinc/76/70/88/721767088.db2.gz DWGPJLIYUJNDKX-HXUWFJFHSA-N 1 2 401.536 2.010 20 0 HEADLO CSc1cnc(Cl)nc1N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164915986 721784990 /nfs/dbraw/zinc/78/49/90/721784990.db2.gz MVBVLHFBPBYUCR-LJQANCHMSA-N 1 2 421.954 2.355 20 0 HEADLO CSc1cnc(Cl)nc1N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164915986 721784992 /nfs/dbraw/zinc/78/49/92/721784992.db2.gz MVBVLHFBPBYUCR-LJQANCHMSA-N 1 2 421.954 2.355 20 0 HEADLO COc1nc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nc2ccccc21 ZINC001164915647 721787090 /nfs/dbraw/zinc/78/70/90/721787090.db2.gz MKXWMRATVVMNSM-QHCPKHFHSA-N 1 2 421.501 2.141 20 0 HEADLO COc1nc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nc2ccccc21 ZINC001164915647 721787097 /nfs/dbraw/zinc/78/70/97/721787097.db2.gz MKXWMRATVVMNSM-QHCPKHFHSA-N 1 2 421.501 2.141 20 0 HEADLO Clc1cc2[nH]cnc2nc1N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164916383 721788110 /nfs/dbraw/zinc/78/81/10/721788110.db2.gz QEPCKYKLEKDSIW-HXUWFJFHSA-N 1 2 414.897 2.114 20 0 HEADLO Clc1cc2[nH]cnc2nc1N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164916383 721788114 /nfs/dbraw/zinc/78/81/14/721788114.db2.gz QEPCKYKLEKDSIW-HXUWFJFHSA-N 1 2 414.897 2.114 20 0 HEADLO COc1nc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)ccc1Cl ZINC001164916983 721791173 /nfs/dbraw/zinc/79/11/73/721791173.db2.gz UNBLSTWZCUFUQQ-HXUWFJFHSA-N 1 2 404.898 2.246 20 0 HEADLO COc1nc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)ccc1Cl ZINC001164916983 721791174 /nfs/dbraw/zinc/79/11/74/721791174.db2.gz UNBLSTWZCUFUQQ-HXUWFJFHSA-N 1 2 404.898 2.246 20 0 HEADLO COC(=O)c1cc2ccncc2nc1N1CCC2(CC1)c1[nH+]cc(C)n1CCN2C ZINC001164917298 721816713 /nfs/dbraw/zinc/81/67/13/721816713.db2.gz KTALNXCSKZLBPE-UHFFFAOYSA-N 1 2 406.490 2.362 20 0 HEADLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1cc(OCC3CC3)ncn1)CC2 ZINC001164945780 721975541 /nfs/dbraw/zinc/97/55/41/721975541.db2.gz FXCRIBZVRUPIRM-UHFFFAOYSA-N 1 2 407.518 2.236 20 0 HEADLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1cc(OCC3CC3)ncn1)CC2 ZINC001164945780 721975545 /nfs/dbraw/zinc/97/55/45/721975545.db2.gz FXCRIBZVRUPIRM-UHFFFAOYSA-N 1 2 407.518 2.236 20 0 HEADLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1ncc3ncnc(Cl)c3n1)CC2 ZINC001164945149 721976039 /nfs/dbraw/zinc/97/60/39/721976039.db2.gz DVXIKQXSDKZKOU-UHFFFAOYSA-N 1 2 423.908 2.044 20 0 HEADLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1ncc3ncnc(Cl)c3n1)CC2 ZINC001164945149 721976044 /nfs/dbraw/zinc/97/60/44/721976044.db2.gz DVXIKQXSDKZKOU-UHFFFAOYSA-N 1 2 423.908 2.044 20 0 HEADLO CC(C)NS(=O)(=O)c1ccc(F)c(C(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)c1 ZINC000769765542 1078545049 /nfs/dbraw/zinc/54/50/49/1078545049.db2.gz UBPBQKZFCIACIR-AWEZNQCLSA-N 1 2 408.499 2.266 20 0 HEADLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)CCNS(=O)(=O)/C=C/c2ccccc2)C1 ZINC000769771106 1078548509 /nfs/dbraw/zinc/54/85/09/1078548509.db2.gz DTEIKGVAHUVIFM-KAPURRDVSA-N 1 2 402.520 2.107 20 0 HEADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)CCNS(=O)(=O)/C=C\c2ccccc2)C1 ZINC000769771109 1078548746 /nfs/dbraw/zinc/54/87/46/1078548746.db2.gz DTEIKGVAHUVIFM-QWSHFYNQSA-N 1 2 402.520 2.107 20 0 HEADLO C[C@H]1CC[C@H](CCC(=O)OCC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)O1 ZINC000745703741 1078610042 /nfs/dbraw/zinc/61/00/42/1078610042.db2.gz IVQLLITWTQUFCI-FXAWDEMLSA-N 1 2 416.518 2.157 20 0 HEADLO C[C@@H](CNC(=O)NCC[N@@H+]1CCO[C@@H](C)C1)Oc1ccc(Br)cc1 ZINC000745791830 1078649545 /nfs/dbraw/zinc/64/95/45/1078649545.db2.gz MXXMGQZTBQPHHY-KBPBESRZSA-N 1 2 400.317 2.236 20 0 HEADLO C[C@@H](CNC(=O)NCC[N@H+]1CCO[C@@H](C)C1)Oc1ccc(Br)cc1 ZINC000745791830 1078649550 /nfs/dbraw/zinc/64/95/50/1078649550.db2.gz MXXMGQZTBQPHHY-KBPBESRZSA-N 1 2 400.317 2.236 20 0 HEADLO O=C(CCC(=O)N1CCN(c2cccc[nH+]2)CC1)OCc1noc(-c2ccccc2)n1 ZINC000766334243 1078646483 /nfs/dbraw/zinc/64/64/83/1078646483.db2.gz RYQFDAHFEPVHKY-UHFFFAOYSA-N 1 2 421.457 2.304 20 0 HEADLO COC(=O)c1ccsc1N1CC[C@@H]([N@@H+]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)C1=O ZINC000745942261 1078700232 /nfs/dbraw/zinc/70/02/32/1078700232.db2.gz GBJNIYWUPVXDLT-DZGCQCFKSA-N 1 2 423.535 2.487 20 0 HEADLO COC(=O)c1ccsc1N1CC[C@@H]([N@H+]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)C1=O ZINC000745942261 1078700237 /nfs/dbraw/zinc/70/02/37/1078700237.db2.gz GBJNIYWUPVXDLT-DZGCQCFKSA-N 1 2 423.535 2.487 20 0 HEADLO C[NH+]1CCN(CCOc2ccc(NS(=O)(=O)c3ccc(Cl)nc3)cc2)CC1 ZINC000745995882 1078724828 /nfs/dbraw/zinc/72/48/28/1078724828.db2.gz LCQWEVQQDOKNJU-UHFFFAOYSA-N 1 2 410.927 2.162 20 0 HEADLO CN1CC[NH+](CCOc2ccc(NS(=O)(=O)c3ccc(Cl)nc3)cc2)CC1 ZINC000745995882 1078724832 /nfs/dbraw/zinc/72/48/32/1078724832.db2.gz LCQWEVQQDOKNJU-UHFFFAOYSA-N 1 2 410.927 2.162 20 0 HEADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000770215384 1078790495 /nfs/dbraw/zinc/79/04/95/1078790495.db2.gz UJFVKUBKIPXIGG-MRXNPFEDSA-N 1 2 420.510 2.191 20 0 HEADLO COc1ccc(OC)c([C@H](O)CNC(=O)Nc2ccc(N3CCOCC3)[nH+]c2C)c1 ZINC000770259003 1078792621 /nfs/dbraw/zinc/79/26/21/1078792621.db2.gz CMRJGSFJLRJZCS-GOSISDBHSA-N 1 2 416.478 2.099 20 0 HEADLO CCOC(=O)N(C)C1CCN(C(=O)Nc2ccc(N3CCOCC3)[nH+]c2C)CC1 ZINC000770258861 1078792985 /nfs/dbraw/zinc/79/29/85/1078792985.db2.gz BSAHJLMOKDMOOR-UHFFFAOYSA-N 1 2 405.499 2.311 20 0 HEADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N(C)CCc1ccccc1F ZINC000770276920 1078803468 /nfs/dbraw/zinc/80/34/68/1078803468.db2.gz WMGRVZUMQBKLOJ-UHFFFAOYSA-N 1 2 400.454 2.005 20 0 HEADLO COC(=O)c1cc(F)c(Br)c(S(=O)(=O)N2C[C@H](C)[N@H+](C)C[C@H]2C)c1 ZINC000770268819 1078799447 /nfs/dbraw/zinc/79/94/47/1078799447.db2.gz FKOGFZJCBBMYBP-VHSXEESVSA-N 1 2 423.304 2.088 20 0 HEADLO COC(=O)c1cc(F)c(Br)c(S(=O)(=O)N2C[C@H](C)[N@@H+](C)C[C@H]2C)c1 ZINC000770268819 1078799453 /nfs/dbraw/zinc/79/94/53/1078799453.db2.gz FKOGFZJCBBMYBP-VHSXEESVSA-N 1 2 423.304 2.088 20 0 HEADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)NCC[S@](=O)Cc1ccccc1 ZINC000770276772 1078803859 /nfs/dbraw/zinc/80/38/59/1078803859.db2.gz UGBWTZCLFPGQPC-NDEPHWFRSA-N 1 2 402.520 2.297 20 0 HEADLO CC[C@@H](NC(=O)C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C)c1ccccc1OC ZINC000770251334 1078812438 /nfs/dbraw/zinc/81/24/38/1078812438.db2.gz MESAYMACWYWSTQ-QGZVFWFLSA-N 1 2 412.490 2.441 20 0 HEADLO CC[NH+](CC)[C@H](C(=O)N1CCO[C@@H](c2nn[nH]n2)C1)c1cccc(C(F)(F)F)c1 ZINC000746236341 1078828414 /nfs/dbraw/zinc/82/84/14/1078828414.db2.gz FZDPMQBJYJPZOL-CABCVRRESA-N 1 2 412.416 2.202 20 0 HEADLO C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1Cc1cnc(N2CCN(C)CC2)nc1 ZINC000770383757 1078834928 /nfs/dbraw/zinc/83/49/28/1078834928.db2.gz WPZWJHSQQQRSEU-WMZOPIPTSA-N 1 2 404.559 2.106 20 0 HEADLO C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@H+]1Cc1cnc(N2CCN(C)CC2)nc1 ZINC000770383757 1078834930 /nfs/dbraw/zinc/83/49/30/1078834930.db2.gz WPZWJHSQQQRSEU-WMZOPIPTSA-N 1 2 404.559 2.106 20 0 HEADLO COc1ccc([C@@H]2[C@@H](C(=O)N3CCC([N@H+](C)CC(F)F)CC3)CC(=O)N2C)cc1 ZINC000746320022 1078857362 /nfs/dbraw/zinc/85/73/62/1078857362.db2.gz KRWYEHDQUSNXGR-FXAWDEMLSA-N 1 2 409.477 2.403 20 0 HEADLO COc1ccc([C@@H]2[C@@H](C(=O)N3CCC([N@@H+](C)CC(F)F)CC3)CC(=O)N2C)cc1 ZINC000746320022 1078857367 /nfs/dbraw/zinc/85/73/67/1078857367.db2.gz KRWYEHDQUSNXGR-FXAWDEMLSA-N 1 2 409.477 2.403 20 0 HEADLO CC(C)CNS(=O)(=O)c1ccc(C(=O)N2CCC([N@H+](C)CC(F)F)CC2)cc1 ZINC000746319715 1078858092 /nfs/dbraw/zinc/85/80/92/1078858092.db2.gz GBPMYKCVYRHZLM-UHFFFAOYSA-N 1 2 417.522 2.422 20 0 HEADLO CC(C)CNS(=O)(=O)c1ccc(C(=O)N2CCC([N@@H+](C)CC(F)F)CC2)cc1 ZINC000746319715 1078858096 /nfs/dbraw/zinc/85/80/96/1078858096.db2.gz GBPMYKCVYRHZLM-UHFFFAOYSA-N 1 2 417.522 2.422 20 0 HEADLO COc1ccc(S(=O)(=O)N2CC[NH+](CCc3ccccc3)CC2)cc1NC(C)=O ZINC000053702714 1078878581 /nfs/dbraw/zinc/87/85/81/1078878581.db2.gz PGHIQTOYXDZGNO-UHFFFAOYSA-N 1 2 417.531 2.203 20 0 HEADLO CC1CCC(OC2CC[NH+](CN3C(=O)C[C@H](Cc4cnn(C)c4)C3=O)CC2)CC1 ZINC000746375335 1078882192 /nfs/dbraw/zinc/88/21/92/1078882192.db2.gz AUCVXERKTXQSGW-AVAKVYKDSA-N 1 2 402.539 2.355 20 0 HEADLO CCOc1ccc(C[NH+]2CCN(C(=O)C3=NN(CC(C)C)C(=O)CC3)CC2)cc1 ZINC000766349107 1078891875 /nfs/dbraw/zinc/89/18/75/1078891875.db2.gz BTKCAUSANZAOBH-UHFFFAOYSA-N 1 2 400.523 2.364 20 0 HEADLO O=C(CN1C(=O)CN(/C=C\c2ccccc2)C1=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000746398966 1078895797 /nfs/dbraw/zinc/89/57/97/1078895797.db2.gz MMCKUBAGPUXGJT-HJWRWDBZSA-N 1 2 424.526 2.327 20 0 HEADLO C[S@@](=O)c1cccc(C(=O)OCC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000770607732 1078914202 /nfs/dbraw/zinc/91/42/02/1078914202.db2.gz HWSQLHXFKXSZKH-GDLZYMKVSA-N 1 2 416.499 2.052 20 0 HEADLO O=C(CCC(=O)N1CCN(c2cccc[nH+]2)CC1)OCCOc1ccccc1F ZINC000766366586 1078921542 /nfs/dbraw/zinc/92/15/42/1078921542.db2.gz RDXWBLUQCFMXBC-UHFFFAOYSA-N 1 2 401.438 2.272 20 0 HEADLO Cc1nnnn1/C(=C\c1ccc(F)cc1)C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000770667124 1078925404 /nfs/dbraw/zinc/92/54/04/1078925404.db2.gz SJNCRCNKHWLIMX-UYRXBGFRSA-N 1 2 423.452 2.297 20 0 HEADLO CS(=O)(=O)c1cc(S(=O)(=O)N2CCC(n3cc[nH+]c3)CC2)c(Cl)s1 ZINC000770669646 1078926422 /nfs/dbraw/zinc/92/64/22/1078926422.db2.gz IIEYMIGWXVOOKZ-UHFFFAOYSA-N 1 2 409.942 2.027 20 0 HEADLO O=C(c1ccc(S[C@@H]2CCOC2=O)cc1)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000770656589 1078942204 /nfs/dbraw/zinc/94/22/04/1078942204.db2.gz KUFVOOQFMNSXRY-IEBWSBKVSA-N 1 2 404.532 2.421 20 0 HEADLO O=C([C@@H](O)c1cccnc1)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000804269446 1078942299 /nfs/dbraw/zinc/94/22/99/1078942299.db2.gz WUKFVEFWAWCOQV-INIZCTEOSA-N 1 2 405.252 2.396 20 0 HEADLO CN(C)c1nc2cc(NC(=O)C(=O)NCc3ccc(-n4cc[nH+]c4)cc3)ccc2o1 ZINC000766389835 1078945958 /nfs/dbraw/zinc/94/59/58/1078945958.db2.gz VETJMEKMIPDDFV-UHFFFAOYSA-N 1 2 404.430 2.334 20 0 HEADLO C[C@@H]1[C@H](C)N(S(=O)(=O)C2CCN(C(=O)OCc3ccccc3)CC2)CC[N@H+]1C ZINC000770724393 1078950144 /nfs/dbraw/zinc/95/01/44/1078950144.db2.gz USYAWMALULXANM-SJORKVTESA-N 1 2 409.552 2.142 20 0 HEADLO C[C@@H]1[C@H](C)N(S(=O)(=O)C2CCN(C(=O)OCc3ccccc3)CC2)CC[N@@H+]1C ZINC000770724393 1078950145 /nfs/dbraw/zinc/95/01/45/1078950145.db2.gz USYAWMALULXANM-SJORKVTESA-N 1 2 409.552 2.142 20 0 HEADLO COC(=O)c1cc(S(=O)(=O)N2CC[N@H+](C)[C@H](C)[C@@H]2C)c(Br)cc1F ZINC000770723614 1078951154 /nfs/dbraw/zinc/95/11/54/1078951154.db2.gz ORCVYWFZXFYWSI-ZJUUUORDSA-N 1 2 423.304 2.088 20 0 HEADLO COC(=O)c1cc(S(=O)(=O)N2CC[N@@H+](C)[C@H](C)[C@@H]2C)c(Br)cc1F ZINC000770723614 1078951160 /nfs/dbraw/zinc/95/11/60/1078951160.db2.gz ORCVYWFZXFYWSI-ZJUUUORDSA-N 1 2 423.304 2.088 20 0 HEADLO COc1cccc(OCC[NH+]2CCN(C(=O)c3cn(C)nc3C(F)(F)F)CC2)c1 ZINC000766409081 1078957139 /nfs/dbraw/zinc/95/71/39/1078957139.db2.gz KLVYGUZYVZIVOW-UHFFFAOYSA-N 1 2 412.412 2.284 20 0 HEADLO Cn1ncc(NC(=O)C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)cc2)c1C1CC1 ZINC000770767487 1078986174 /nfs/dbraw/zinc/98/61/74/1078986174.db2.gz XOUAHSZCHYKWRQ-DOTOQJQBSA-N 1 2 401.898 2.451 20 0 HEADLO Cn1ncc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)cc2)c1C1CC1 ZINC000770767487 1078986187 /nfs/dbraw/zinc/98/61/87/1078986187.db2.gz XOUAHSZCHYKWRQ-DOTOQJQBSA-N 1 2 401.898 2.451 20 0 HEADLO C[C@@H](C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)c1ccc(Br)cc1 ZINC000766439159 1079004714 /nfs/dbraw/zinc/00/47/14/1079004714.db2.gz BFKUALGXYDNHCW-CYBMUJFWSA-N 1 2 417.369 2.178 20 0 HEADLO Cc1nc(N2CCN(C(=O)[C@H]3CCCN(C(=O)OCc4ccccc4)C3)CC2)cc[nH+]1 ZINC000766456194 1079009058 /nfs/dbraw/zinc/00/90/58/1079009058.db2.gz JNIDNTAZFFWIRR-FQEVSTJZSA-N 1 2 423.517 2.482 20 0 HEADLO CCOC(=O)c1c(C)c2ccccc2nc1CN1CC[NH+](CC[S@@](C)=O)CC1 ZINC000746472241 1079021689 /nfs/dbraw/zinc/02/16/89/1079021689.db2.gz CSHAWIMCPGSYEM-MUUNZHRXSA-N 1 2 403.548 2.216 20 0 HEADLO COc1ccc(OCc2nc(CN3CC[NH+](CC[S@](C)=O)CC3)cs2)cc1 ZINC000746466131 1079025293 /nfs/dbraw/zinc/02/52/93/1079025293.db2.gz BUDCOTCFBGGGNV-MHZLTWQESA-N 1 2 409.577 2.227 20 0 HEADLO O=C(CCn1cc[nH+]c1)Nc1cccc(C(=O)N[C@@H](CO)C[C@H](O)c2ccccc2)c1 ZINC000770848561 1079036619 /nfs/dbraw/zinc/03/66/19/1079036619.db2.gz FFIBWATYGBDCPW-RTWAWAEBSA-N 1 2 422.485 2.126 20 0 HEADLO COc1ccc(CN2CC[C@H]([N@@H+]3CCn4c(COC(C)C)nnc4C3)CC2=O)cc1 ZINC001168926696 1079070041 /nfs/dbraw/zinc/07/00/41/1079070041.db2.gz APOFJOVDKYSNNM-SFHVURJKSA-N 1 2 413.522 2.219 20 0 HEADLO COc1ccc(CN2CC[C@H]([N@H+]3CCn4c(COC(C)C)nnc4C3)CC2=O)cc1 ZINC001168926696 1079070046 /nfs/dbraw/zinc/07/00/46/1079070046.db2.gz APOFJOVDKYSNNM-SFHVURJKSA-N 1 2 413.522 2.219 20 0 HEADLO Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)OCc2cccc3[nH+]ccn32)C1 ZINC000770922649 1079081198 /nfs/dbraw/zinc/08/11/98/1079081198.db2.gz OYAHSZKXDFPSNQ-HNNXBMFYSA-N 1 2 418.475 2.083 20 0 HEADLO CCOC(=O)c1cn2c(n1)C[N@H+]([C@H]1CCN(Cc3ccc(OC)cc3)C(=O)C1)CC2 ZINC001168945302 1079082812 /nfs/dbraw/zinc/08/28/12/1079082812.db2.gz XILNQOSRWVRDLJ-KRWDZBQOSA-N 1 2 412.490 2.075 20 0 HEADLO CCOC(=O)c1cn2c(n1)C[N@@H+]([C@H]1CCN(Cc3ccc(OC)cc3)C(=O)C1)CC2 ZINC001168945302 1079082816 /nfs/dbraw/zinc/08/28/16/1079082816.db2.gz XILNQOSRWVRDLJ-KRWDZBQOSA-N 1 2 412.490 2.075 20 0 HEADLO COc1ccc(CN2CC[C@@H]([N@@H+]3CCN(C(=O)OC(C)(C)C)C(=O)C3)CC2=O)cc1 ZINC001168945204 1079082880 /nfs/dbraw/zinc/08/28/80/1079082880.db2.gz UTZFOEVZNDVGFF-QGZVFWFLSA-N 1 2 417.506 2.266 20 0 HEADLO COc1ccc(CN2CC[C@@H]([N@H+]3CCN(C(=O)OC(C)(C)C)C(=O)C3)CC2=O)cc1 ZINC001168945204 1079082884 /nfs/dbraw/zinc/08/28/84/1079082884.db2.gz UTZFOEVZNDVGFF-QGZVFWFLSA-N 1 2 417.506 2.266 20 0 HEADLO CCOC(=O)c1cn2c(n1)C[N@H+]([C@@H]1CCN(Cc3ccc(OC)cc3)C(=O)C1)CC2 ZINC001168945303 1079082893 /nfs/dbraw/zinc/08/28/93/1079082893.db2.gz XILNQOSRWVRDLJ-QGZVFWFLSA-N 1 2 412.490 2.075 20 0 HEADLO CCOC(=O)c1cn2c(n1)C[N@@H+]([C@@H]1CCN(Cc3ccc(OC)cc3)C(=O)C1)CC2 ZINC001168945303 1079082896 /nfs/dbraw/zinc/08/28/96/1079082896.db2.gz XILNQOSRWVRDLJ-QGZVFWFLSA-N 1 2 412.490 2.075 20 0 HEADLO CCn1c(=O)[nH]c(=O)c2c(C(=O)OCc3cccc4[nH+]ccn43)cc(C3CC3)nc21 ZINC000770926789 1079083688 /nfs/dbraw/zinc/08/36/88/1079083688.db2.gz SLPIGWKFSQOLOV-UHFFFAOYSA-N 1 2 405.414 2.399 20 0 HEADLO C[C@@H]([NH2+]CC(=O)NCc1ccc(C(=O)N2CCCC2)cc1)c1nnc2n1CCCCC2 ZINC001169033140 1079103779 /nfs/dbraw/zinc/10/37/79/1079103779.db2.gz OYWWYBGOOJLACV-QGZVFWFLSA-N 1 2 424.549 2.208 20 0 HEADLO COC(=O)Nc1cc(C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)cc(C(F)(F)F)c1 ZINC000771036724 1079111847 /nfs/dbraw/zinc/11/18/47/1079111847.db2.gz ZYNQBUZICSBQAP-HNNXBMFYSA-N 1 2 401.385 2.430 20 0 HEADLO CC(=O)N1Cc2ccccc2C[C@H]1C(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC001169227591 1079204281 /nfs/dbraw/zinc/20/42/81/1079204281.db2.gz YIUHDKADXDBPAL-FQEVSTJZSA-N 1 2 410.543 2.224 20 0 HEADLO CC(C)NS(=O)(=O)c1cc(C(=O)N2CC[NH2+][C@H](c3ccc(O)cc3)C2)ccc1F ZINC001169239469 1079208266 /nfs/dbraw/zinc/20/82/66/1079208266.db2.gz JBLRQGCJIWXJNW-SFHVURJKSA-N 1 2 421.494 2.005 20 0 HEADLO COC(=O)c1sc(N2CC[N@H+](C)C[C@H]2CNC(=O)OC(C)(C)C)nc1Cl ZINC000771238410 1079221776 /nfs/dbraw/zinc/22/17/76/1079221776.db2.gz ABWUMMNDTZPWQQ-SNVBAGLBSA-N 1 2 404.920 2.228 20 0 HEADLO COC(=O)c1sc(N2CC[N@@H+](C)C[C@H]2CNC(=O)OC(C)(C)C)nc1Cl ZINC000771238410 1079221787 /nfs/dbraw/zinc/22/17/87/1079221787.db2.gz ABWUMMNDTZPWQQ-SNVBAGLBSA-N 1 2 404.920 2.228 20 0 HEADLO COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)Nc2ccc(-n3cc[nH+]c3)cc2)C1=O ZINC000771244995 1079225469 /nfs/dbraw/zinc/22/54/69/1079225469.db2.gz LGFFDNFMORJHJI-QFIPXVFZSA-N 1 2 419.441 2.287 20 0 HEADLO Cc1cc(C(=O)NC2CCN(C(=O)NCc3ccccc3-n3cc[nH+]c3)CC2)no1 ZINC000062500821 1079225803 /nfs/dbraw/zinc/22/58/03/1079225803.db2.gz UNLJUMRYXCQXFN-UHFFFAOYSA-N 1 2 408.462 2.273 20 0 HEADLO C[N@H+](CC(F)F)C1CCN(C(=O)CNC(=O)c2ccc(Br)cc2)CC1 ZINC000771377647 1079291437 /nfs/dbraw/zinc/29/14/37/1079291437.db2.gz HEBVTLSQDQAYIB-UHFFFAOYSA-N 1 2 418.282 2.367 20 0 HEADLO C[N@@H+](CC(F)F)C1CCN(C(=O)CNC(=O)c2ccc(Br)cc2)CC1 ZINC000771377647 1079291440 /nfs/dbraw/zinc/29/14/40/1079291440.db2.gz HEBVTLSQDQAYIB-UHFFFAOYSA-N 1 2 418.282 2.367 20 0 HEADLO COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)Nc2cccc3[nH+]ccn32)C1=O ZINC000771378960 1079292407 /nfs/dbraw/zinc/29/24/07/1079292407.db2.gz NDJCQFFTBDRGML-NRFANRHFSA-N 1 2 407.430 2.057 20 0 HEADLO COc1ccc(OC)c([C@@H](O)CNC(=O)CNc2cccc(Cc3ccncc3)[nH+]2)c1 ZINC001169442059 1079292645 /nfs/dbraw/zinc/29/26/45/1079292645.db2.gz PMQJSMRZDMFUFY-FQEVSTJZSA-N 1 2 422.485 2.346 20 0 HEADLO NC(=O)c1nc(Cl)nc(N[C@@H]2C[C@H](C(=O)OCc3ccccc3)CCC[NH2+]2)c1F ZINC001169510688 1079317960 /nfs/dbraw/zinc/31/79/60/1079317960.db2.gz GHDFOFAYGUOFBP-CHWSQXEVSA-N 1 2 421.860 2.239 20 0 HEADLO CCOC(=O)N1CC[C@H](NC(=O)N(Cc2ccccc2)[C@H](C)C[NH+]2CCOCC2)C1 ZINC000771392977 1079319400 /nfs/dbraw/zinc/31/94/00/1079319400.db2.gz OAJFWKRNIYKUII-QUCCMNQESA-N 1 2 418.538 2.150 20 0 HEADLO Cc1cc(N[C@@H]2C[C@@H](C(=O)OCc3ccccc3)CCC[NH2+]2)nc(S(C)(=O)=O)n1 ZINC001169520576 1079321530 /nfs/dbraw/zinc/32/15/30/1079321530.db2.gz NHEJBKQPGBWQIP-DLBZAZTESA-N 1 2 418.519 2.060 20 0 HEADLO O=C(N[C@H]1CCc2c[nH+]cn2C1)c1ccc2c(c1)[nH]c(=O)n(-c1ccccc1)c2=O ZINC000804332650 1079347308 /nfs/dbraw/zinc/34/73/08/1079347308.db2.gz OGQAIQDTJQHHML-HNNXBMFYSA-N 1 2 401.426 2.033 20 0 HEADLO O=C(N[C@@H]1CCc2c[nH+]cn2C1)C1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1 ZINC000804335017 1079370606 /nfs/dbraw/zinc/37/06/06/1079370606.db2.gz PHAWUDQCGAGFHY-QTJNJRLBSA-N 1 2 414.531 2.027 20 0 HEADLO O=C(N[C@@H]1CCc2c[nH+]cn2C1)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC000804337002 1079385058 /nfs/dbraw/zinc/38/50/58/1079385058.db2.gz TWJWVWMYNWCPNA-CQSZACIVSA-N 1 2 422.938 2.456 20 0 HEADLO O=C(N[C@@H]1CCc2c[nH+]cn2C1)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000804335692 1079382551 /nfs/dbraw/zinc/38/25/51/1079382551.db2.gz DCNFKQGARWBIKR-CYBMUJFWSA-N 1 2 408.911 2.066 20 0 HEADLO CC(C)(C)OC(=O)N1[C@H](C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)C[C@H]2CCCC[C@@H]21 ZINC000771560195 1079385572 /nfs/dbraw/zinc/38/55/72/1079385572.db2.gz NPMSBCMBFBYKCN-YRXWBPOGSA-N 1 2 407.555 2.488 20 0 HEADLO CCO[C@@H]1C[C@@](NC(=O)OC(C)(C)C)(C(=O)N[C@@H]2CCc3c[nH+]cn3C2)C1(C)C ZINC000804338424 1079409860 /nfs/dbraw/zinc/40/98/60/1079409860.db2.gz PUBRKINKJUMEIK-IUSZMWJPSA-N 1 2 406.527 2.413 20 0 HEADLO COC(=O)C(C)(C)[C@@H]1CCC[N@H+](Cn2nc(N3CCOCC3)n(C3CC3)c2=S)C1 ZINC000771630372 1079415210 /nfs/dbraw/zinc/41/52/10/1079415210.db2.gz LLFBNJOIYAYPQU-OAHLLOKOSA-N 1 2 423.583 2.454 20 0 HEADLO COC(=O)C(C)(C)[C@@H]1CCC[N@@H+](Cn2nc(N3CCOCC3)n(C3CC3)c2=S)C1 ZINC000771630372 1079415217 /nfs/dbraw/zinc/41/52/17/1079415217.db2.gz LLFBNJOIYAYPQU-OAHLLOKOSA-N 1 2 423.583 2.454 20 0 HEADLO C[C@@H](C(=O)Nc1nccs1)[N@H+](C)Cc1cccc(N2C[C@@H](C)CS2(=O)=O)c1 ZINC001169809674 1079427304 /nfs/dbraw/zinc/42/73/04/1079427304.db2.gz BXFOIJORZXGUIE-KGLIPLIRSA-N 1 2 408.549 2.388 20 0 HEADLO C[C@@H](C(=O)Nc1nccs1)[N@@H+](C)Cc1cccc(N2C[C@@H](C)CS2(=O)=O)c1 ZINC001169809674 1079427314 /nfs/dbraw/zinc/42/73/14/1079427314.db2.gz BXFOIJORZXGUIE-KGLIPLIRSA-N 1 2 408.549 2.388 20 0 HEADLO CC(C)S(=O)(=O)CCC[N@H+](C)Cc1cccc(N2C[C@H](C)CS2(=O)=O)c1 ZINC001169810595 1079428047 /nfs/dbraw/zinc/42/80/47/1079428047.db2.gz IYAFAXQQHZEVLD-INIZCTEOSA-N 1 2 402.582 2.118 20 0 HEADLO CC(C)S(=O)(=O)CCC[N@@H+](C)Cc1cccc(N2C[C@H](C)CS2(=O)=O)c1 ZINC001169810595 1079428055 /nfs/dbraw/zinc/42/80/55/1079428055.db2.gz IYAFAXQQHZEVLD-INIZCTEOSA-N 1 2 402.582 2.118 20 0 HEADLO CCCn1nccc1NC(=O)C[N@H+](C)Cc1cccc(N2C[C@H](C)CS2(=O)=O)c1 ZINC001169811611 1079429397 /nfs/dbraw/zinc/42/93/97/1079429397.db2.gz PJHSJPZVRXXKTD-INIZCTEOSA-N 1 2 419.551 2.150 20 0 HEADLO CCCn1nccc1NC(=O)C[N@@H+](C)Cc1cccc(N2C[C@H](C)CS2(=O)=O)c1 ZINC001169811611 1079429404 /nfs/dbraw/zinc/42/94/04/1079429404.db2.gz PJHSJPZVRXXKTD-INIZCTEOSA-N 1 2 419.551 2.150 20 0 HEADLO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1O ZINC000771655532 1079426444 /nfs/dbraw/zinc/42/64/44/1079426444.db2.gz ASFSRDZOVPDZJA-OAHLLOKOSA-N 1 2 406.527 2.495 20 0 HEADLO CCC[C@@H]1CN(S(=O)(=O)c2ccc(Cl)c(C(=O)OC)c2)CC[N@@H+]1CCOC ZINC000766852654 1079437746 /nfs/dbraw/zinc/43/77/46/1079437746.db2.gz BPAZUDRBSOIUQU-CQSZACIVSA-N 1 2 418.943 2.248 20 0 HEADLO CCC[C@@H]1CN(S(=O)(=O)c2ccc(Cl)c(C(=O)OC)c2)CC[N@H+]1CCOC ZINC000766852654 1079437752 /nfs/dbraw/zinc/43/77/52/1079437752.db2.gz BPAZUDRBSOIUQU-CQSZACIVSA-N 1 2 418.943 2.248 20 0 HEADLO Cn1ccnc1C[NH+]1CCC(C(=O)N(C[C@H](O)c2ccc(F)cc2)C2CC2)CC1 ZINC000771641541 1079448140 /nfs/dbraw/zinc/44/81/40/1079448140.db2.gz RLFMIUPPCHBXSX-FQEVSTJZSA-N 1 2 400.498 2.496 20 0 HEADLO CN(C)C(=O)Sc1ccc(C[NH+]2CCC(N3CCS(=O)(=O)CC3)CC2)cc1 ZINC000766865710 1079459501 /nfs/dbraw/zinc/45/95/01/1079459501.db2.gz HHODMRAJNYBISW-UHFFFAOYSA-N 1 2 411.593 2.155 20 0 HEADLO COc1ccc([C@H]2CCCN2C(=O)C[N@@H+]2CCC[C@@H](c3n[nH]c(=O)o3)C2)cc1OC ZINC001169862097 1079461262 /nfs/dbraw/zinc/46/12/62/1079461262.db2.gz DNEZPVBAHLYUSE-HZPDHXFCSA-N 1 2 416.478 2.336 20 0 HEADLO COc1ccc([C@H]2CCCN2C(=O)C[N@H+]2CCC[C@@H](c3n[nH]c(=O)o3)C2)cc1OC ZINC001169862097 1079461268 /nfs/dbraw/zinc/46/12/68/1079461268.db2.gz DNEZPVBAHLYUSE-HZPDHXFCSA-N 1 2 416.478 2.336 20 0 HEADLO CCOC(=O)[C@]1([NH2+]C2CCC(S(C)(=O)=O)CC2)CCN(Cc2ccccc2)C1 ZINC001169863193 1079461772 /nfs/dbraw/zinc/46/17/72/1079461772.db2.gz HBOHLWREKFKPDP-GRERDSQWSA-N 1 2 408.564 2.140 20 0 HEADLO CC(C)(C)OC(=O)N1CC[C@@](C)(O)[C@H]([NH+]2CCN(C(=O)Cc3ccccc3)CC2)C1 ZINC001169909088 1079473410 /nfs/dbraw/zinc/47/34/10/1079473410.db2.gz XUGAQLOCWHPRPW-AUSIDOKSSA-N 1 2 417.550 2.134 20 0 HEADLO COc1c(C)c[nH+]c(CN(C)S(=O)(=O)CCNC(=O)OCc2ccccc2)c1C ZINC000771741537 1079474823 /nfs/dbraw/zinc/47/48/23/1079474823.db2.gz DTYOGIBSLSXGLD-UHFFFAOYSA-N 1 2 421.519 2.395 20 0 HEADLO CC(C)(C)OC(=O)NC(C)(C)CCC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000737555213 1075909473 /nfs/dbraw/zinc/90/94/73/1075909473.db2.gz RUDFRAWAMAXBQM-UHFFFAOYSA-N 1 2 409.531 2.237 20 0 HEADLO C[N@H+](C[C@H]1CCCO1)CN1C(=O)N[C@@](C)(c2ccc(Br)s2)C1=O ZINC000738060659 1075961685 /nfs/dbraw/zinc/96/16/85/1075961685.db2.gz HYGFKVINOICOSH-BMIGLBTASA-N 1 2 402.314 2.346 20 0 HEADLO C[N@@H+](C[C@H]1CCCO1)CN1C(=O)N[C@@](C)(c2ccc(Br)s2)C1=O ZINC000738060659 1075961690 /nfs/dbraw/zinc/96/16/90/1075961690.db2.gz HYGFKVINOICOSH-BMIGLBTASA-N 1 2 402.314 2.346 20 0 HEADLO O=C1N[C@](c2ccccc2)(C(F)(F)F)C(=O)N1CN1CCC(n2cc[nH+]c2)CC1 ZINC000738109873 1075964751 /nfs/dbraw/zinc/96/47/51/1075964751.db2.gz HVCXYWVAYNXENI-SFHVURJKSA-N 1 2 407.396 2.487 20 0 HEADLO O=C(Nc1ccc(F)cc1)C1CC[NH+](CN2C(=O)C[C@]3(CCSC3)C2=O)CC1 ZINC000738148924 1075968828 /nfs/dbraw/zinc/96/88/28/1075968828.db2.gz RJGGWPPJMRWPGX-FQEVSTJZSA-N 1 2 405.495 2.316 20 0 HEADLO COc1ccccc1NC(=O)C[N@H+](C)CCN1CCN(C(=O)OC(C)(C)C)CC1 ZINC000738329177 1075982528 /nfs/dbraw/zinc/98/25/28/1075982528.db2.gz MFMCPSOQBFZEPV-UHFFFAOYSA-N 1 2 406.527 2.118 20 0 HEADLO COc1ccccc1NC(=O)C[N@@H+](C)CCN1CCN(C(=O)OC(C)(C)C)CC1 ZINC000738329177 1075982533 /nfs/dbraw/zinc/98/25/33/1075982533.db2.gz MFMCPSOQBFZEPV-UHFFFAOYSA-N 1 2 406.527 2.118 20 0 HEADLO O=C(NCCN1CC[NH+](C[C@@H](O)c2ccc(F)cc2F)CC1)c1ccccc1F ZINC000738328198 1075982610 /nfs/dbraw/zinc/98/26/10/1075982610.db2.gz ACDIOXWUFORGFX-HXUWFJFHSA-N 1 2 407.436 2.185 20 0 HEADLO O=C(CCC(=O)N1CCOc2ccccc21)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000738527158 1075999878 /nfs/dbraw/zinc/99/98/78/1075999878.db2.gz SRHWMZLSULIDHN-UHFFFAOYSA-N 1 2 409.486 2.242 20 0 HEADLO CN(C)c1ccc(NC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)cc1Cl ZINC000738936782 1076026842 /nfs/dbraw/zinc/02/68/42/1076026842.db2.gz ZLHHPVHWEXKWJI-UHFFFAOYSA-N 1 2 402.948 2.037 20 0 HEADLO Cc1cn2cc(NC(=O)NCC3CCN(S(=O)(=O)C(F)(F)F)CC3)ccc2[nH+]1 ZINC000738919815 1076029660 /nfs/dbraw/zinc/02/96/60/1076029660.db2.gz LMBBYVMAAXFMTF-UHFFFAOYSA-N 1 2 419.429 2.326 20 0 HEADLO C[C@H]1COCCN1c1ccc(NC(=O)C(=O)NCCCCNc2cccc[nH+]2)cc1 ZINC000739083879 1076029984 /nfs/dbraw/zinc/02/99/84/1076029984.db2.gz AAQCNTGZLDLQPG-KRWDZBQOSA-N 1 2 411.506 2.254 20 0 HEADLO CCS(=O)(=O)CCOc1ccc(S(=O)(=O)Nc2ccc3[nH+]c(C)cn3c2)cc1 ZINC000739384640 1076056933 /nfs/dbraw/zinc/05/69/33/1076056933.db2.gz KOWFUCZARGYTIJ-UHFFFAOYSA-N 1 2 423.516 2.257 20 0 HEADLO CN(C1CCOCC1)S(=O)(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000739959822 1076088486 /nfs/dbraw/zinc/08/84/86/1076088486.db2.gz RRHJSBCTBSMTLB-MRXNPFEDSA-N 1 2 419.950 2.389 20 0 HEADLO CN(C1CCOCC1)S(=O)(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000739959822 1076088495 /nfs/dbraw/zinc/08/84/95/1076088495.db2.gz RRHJSBCTBSMTLB-MRXNPFEDSA-N 1 2 419.950 2.389 20 0 HEADLO O=C(C[NH+]1CCC(NC(=O)NC[C@H](O)c2ccsc2)CC1)Nc1ccccc1 ZINC000740027706 1076104111 /nfs/dbraw/zinc/10/41/11/1076104111.db2.gz VCZCTNAUTBGSLE-SFHVURJKSA-N 1 2 402.520 2.184 20 0 HEADLO CCOC(=O)C1C(C[NH2+][C@]2(CO)CCc3ccccc32)=NC(=O)N[C@H]1c1ccccc1 ZINC000766249141 1076149200 /nfs/dbraw/zinc/14/92/00/1076149200.db2.gz HQIJFZAGAGNSMN-URXFXBBRSA-N 1 2 421.497 2.281 20 0 HEADLO CCOC(=O)C1C(C[NH2+][C@@]2(CO)CCc3ccccc32)=NC(=O)N[C@@H]1c1ccccc1 ZINC000766249146 1076149249 /nfs/dbraw/zinc/14/92/49/1076149249.db2.gz HQIJFZAGAGNSMN-ZJSXRUAMSA-N 1 2 421.497 2.281 20 0 HEADLO C[N@@H+]1CCO[C@@H]([C@@H](NC(=O)NCc2nc(C3CC3)no2)c2ccc(Cl)cc2)C1 ZINC000766252269 1076163318 /nfs/dbraw/zinc/16/33/18/1076163318.db2.gz ZYPSIDNCTUODPO-WBVHZDCISA-N 1 2 405.886 2.472 20 0 HEADLO C[N@H+]1CCO[C@@H]([C@@H](NC(=O)NCc2nc(C3CC3)no2)c2ccc(Cl)cc2)C1 ZINC000766252269 1076163331 /nfs/dbraw/zinc/16/33/31/1076163331.db2.gz ZYPSIDNCTUODPO-WBVHZDCISA-N 1 2 405.886 2.472 20 0 HEADLO C[C@](O)(CNC(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1)c1cccs1 ZINC000740478074 1076185465 /nfs/dbraw/zinc/18/54/65/1076185465.db2.gz BFRNLYVDWXRJHB-NQIIRXRSSA-N 1 2 403.548 2.198 20 0 HEADLO C[C@@H](CNC(=O)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1)Cn1cc[nH+]c1 ZINC000740727556 1076217653 /nfs/dbraw/zinc/21/76/53/1076217653.db2.gz SUPRDRDEBPOLMW-MXHVWWQHSA-N 1 2 416.547 2.348 20 0 HEADLO C[C@@H](CNC(=O)CS(=O)(=O)Nc1ccc(N2CCCCC2)cc1)Cn1cc[nH+]c1 ZINC000740727234 1076217703 /nfs/dbraw/zinc/21/77/03/1076217703.db2.gz ISEIJAVBBDACHQ-KRWDZBQOSA-N 1 2 419.551 2.068 20 0 HEADLO O=C(c1cc(-c2cccnc2)nc2ccccc21)N1CC[NH+](CCn2cncn2)CC1 ZINC000740738807 1076229646 /nfs/dbraw/zinc/22/96/46/1076229646.db2.gz NPCHIRVZLXLDRJ-UHFFFAOYSA-N 1 2 413.485 2.346 20 0 HEADLO O=C(CCCn1cncn1)N1CCC[N@@H+](Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000740745969 1076232004 /nfs/dbraw/zinc/23/20/04/1076232004.db2.gz ROEHKLVLDRXSAC-UHFFFAOYSA-N 1 2 401.902 2.094 20 0 HEADLO O=C(CCCn1cncn1)N1CCC[N@H+](Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000740745969 1076232008 /nfs/dbraw/zinc/23/20/08/1076232008.db2.gz ROEHKLVLDRXSAC-UHFFFAOYSA-N 1 2 401.902 2.094 20 0 HEADLO CC(C)(C)OC(=O)N1CC[NH+](CCCNC(=O)c2csc(NC3CC3)n2)CC1 ZINC000740750015 1076234286 /nfs/dbraw/zinc/23/42/86/1076234286.db2.gz BTUVRYPCDCNTBW-UHFFFAOYSA-N 1 2 409.556 2.390 20 0 HEADLO CCN(C(=O)C1=NN(C)C(=O)CC1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000740785091 1076237157 /nfs/dbraw/zinc/23/71/57/1076237157.db2.gz CRVSLLMJIQPMBO-UHFFFAOYSA-N 1 2 400.527 2.334 20 0 HEADLO C[C@H]1CN(C(=O)C2CC[NH+](Cc3nccn3C)CC2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000740830144 1076252201 /nfs/dbraw/zinc/25/22/01/1076252201.db2.gz PASLVBGGYUGHCW-FUHWJXTLSA-N 1 2 419.570 2.394 20 0 HEADLO C[C@H]1C[N@H+](CN2C(=O)C(=O)N(C3CCCCC3)C2=O)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000740857179 1076269769 /nfs/dbraw/zinc/26/97/69/1076269769.db2.gz YPZYUHLVXYYNMU-HOCLYGCPSA-N 1 2 422.526 2.303 20 0 HEADLO C[C@H]1C[N@@H+](CN2C(=O)C(=O)N(C3CCCCC3)C2=O)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000740857179 1076269773 /nfs/dbraw/zinc/26/97/73/1076269773.db2.gz YPZYUHLVXYYNMU-HOCLYGCPSA-N 1 2 422.526 2.303 20 0 HEADLO C[C@H](C(=O)Nc1sccc1C(N)=O)[N@@H+]1CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000740881645 1076280495 /nfs/dbraw/zinc/28/04/95/1076280495.db2.gz AMXUWIMPDNYDLF-BZPMIXESSA-N 1 2 410.540 2.409 20 0 HEADLO C[C@H](C(=O)Nc1sccc1C(N)=O)[N@H+]1CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000740881645 1076280506 /nfs/dbraw/zinc/28/05/06/1076280506.db2.gz AMXUWIMPDNYDLF-BZPMIXESSA-N 1 2 410.540 2.409 20 0 HEADLO C[C@H](C(=O)Nc1sccc1C(N)=O)[N@@H+]1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000740881653 1076280859 /nfs/dbraw/zinc/28/08/59/1076280859.db2.gz AMXUWIMPDNYDLF-YRGRVCCFSA-N 1 2 410.540 2.409 20 0 HEADLO C[C@H](C(=O)Nc1sccc1C(N)=O)[N@H+]1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000740881653 1076280868 /nfs/dbraw/zinc/28/08/68/1076280868.db2.gz AMXUWIMPDNYDLF-YRGRVCCFSA-N 1 2 410.540 2.409 20 0 HEADLO CC[C@@H]1CN(C(=O)OCc2ccccc2)[C@@H](CC)C[N@@H+]1CC(=O)N1CCOCC1 ZINC000740887470 1076285508 /nfs/dbraw/zinc/28/55/08/1076285508.db2.gz VBBBQFJOCSWINA-UXHICEINSA-N 1 2 403.523 2.357 20 0 HEADLO CC[C@@H]1CN(C(=O)OCc2ccccc2)[C@@H](CC)C[N@H+]1CC(=O)N1CCOCC1 ZINC000740887470 1076285517 /nfs/dbraw/zinc/28/55/17/1076285517.db2.gz VBBBQFJOCSWINA-UXHICEINSA-N 1 2 403.523 2.357 20 0 HEADLO Cc1noc2ncc(C(=O)OCC(=O)Nc3ccc(C[NH+]4CCOCC4)cc3)cc12 ZINC000740950695 1076311204 /nfs/dbraw/zinc/31/12/04/1076311204.db2.gz ILMTVKULFRGNHY-UHFFFAOYSA-N 1 2 410.430 2.159 20 0 HEADLO Cc1cc(N2CCN(C(=O)COC(=O)C3CCSCC3)CC2)nc(C(C)C)[nH+]1 ZINC000740961807 1076313690 /nfs/dbraw/zinc/31/36/90/1076313690.db2.gz ZQBAKEYLESBLPQ-UHFFFAOYSA-N 1 2 406.552 2.243 20 0 HEADLO Cc1ccc(C(=O)N2CCC[N@H+](CC(N)=O)CC2)cc1NC(=O)Nc1ccccc1 ZINC000741212598 1076405859 /nfs/dbraw/zinc/40/58/59/1076405859.db2.gz PVQFJYKPKCALJK-UHFFFAOYSA-N 1 2 409.490 2.272 20 0 HEADLO Cc1ccc(C(=O)N2CCC[N@@H+](CC(N)=O)CC2)cc1NC(=O)Nc1ccccc1 ZINC000741212598 1076405863 /nfs/dbraw/zinc/40/58/63/1076405863.db2.gz PVQFJYKPKCALJK-UHFFFAOYSA-N 1 2 409.490 2.272 20 0 HEADLO O=C(NCCO)C1CC[NH+](Cc2cccc(Br)c2OC(F)F)CC1 ZINC000751964173 1076478034 /nfs/dbraw/zinc/47/80/34/1076478034.db2.gz SMJLEXVXQNGMIR-UHFFFAOYSA-N 1 2 407.255 2.371 20 0 HEADLO O=C(C[C@H]1C[N@H+](Cc2ccccc2)CCO1)OCC(=O)N1CCC(c2ccccc2)=N1 ZINC000741346920 1076489992 /nfs/dbraw/zinc/48/99/92/1076489992.db2.gz NGJNMOWAFROQSQ-NRFANRHFSA-N 1 2 421.497 2.457 20 0 HEADLO O=C(C[C@H]1C[N@@H+](Cc2ccccc2)CCO1)OCC(=O)N1CCC(c2ccccc2)=N1 ZINC000741346920 1076489995 /nfs/dbraw/zinc/48/99/95/1076489995.db2.gz NGJNMOWAFROQSQ-NRFANRHFSA-N 1 2 421.497 2.457 20 0 HEADLO CCOC(=O)C1CCN(C(=O)COC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)CC1 ZINC000741352252 1076492157 /nfs/dbraw/zinc/49/21/57/1076492157.db2.gz NEGULUCOVQAHDJ-FQEVSTJZSA-N 1 2 416.518 2.386 20 0 HEADLO CCOC(=O)C1CCN(C(=O)COC(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC000741352252 1076492163 /nfs/dbraw/zinc/49/21/63/1076492163.db2.gz NEGULUCOVQAHDJ-FQEVSTJZSA-N 1 2 416.518 2.386 20 0 HEADLO O=C(COC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1)NCc1cc(F)cc(F)c1 ZINC000741354560 1076493427 /nfs/dbraw/zinc/49/34/27/1076493427.db2.gz NDRHQSMEDFHARG-FQEVSTJZSA-N 1 2 418.440 2.415 20 0 HEADLO O=C(COC(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1)NCc1cc(F)cc(F)c1 ZINC000741354560 1076493431 /nfs/dbraw/zinc/49/34/31/1076493431.db2.gz NDRHQSMEDFHARG-FQEVSTJZSA-N 1 2 418.440 2.415 20 0 HEADLO Cc1ccn2c(=O)cc(COC(=O)C[C@H]3C[N@H+](Cc4ccccc4)CCO3)nc2c1 ZINC000741356824 1076494462 /nfs/dbraw/zinc/49/44/62/1076494462.db2.gz QXTUGKWDOMWOPJ-FQEVSTJZSA-N 1 2 407.470 2.337 20 0 HEADLO Cc1ccn2c(=O)cc(COC(=O)C[C@H]3C[N@@H+](Cc4ccccc4)CCO3)nc2c1 ZINC000741356824 1076494466 /nfs/dbraw/zinc/49/44/66/1076494466.db2.gz QXTUGKWDOMWOPJ-FQEVSTJZSA-N 1 2 407.470 2.337 20 0 HEADLO O=C(COC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000741356950 1076494510 /nfs/dbraw/zinc/49/45/10/1076494510.db2.gz RSLJBMFNWIYMIR-QGZVFWFLSA-N 1 2 424.457 2.041 20 0 HEADLO O=C(COC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000741356950 1076494515 /nfs/dbraw/zinc/49/45/15/1076494515.db2.gz RSLJBMFNWIYMIR-QGZVFWFLSA-N 1 2 424.457 2.041 20 0 HEADLO C[C@H](OC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000741387817 1076495556 /nfs/dbraw/zinc/49/55/56/1076495556.db2.gz QEQFMTLXFZTNJO-MGPUTAFESA-N 1 2 412.442 2.187 20 0 HEADLO C[C@H](OC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000741387817 1076495561 /nfs/dbraw/zinc/49/55/61/1076495561.db2.gz QEQFMTLXFZTNJO-MGPUTAFESA-N 1 2 412.442 2.187 20 0 HEADLO COc1ccccc1CN(C)C(=O)COC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000741388221 1076495629 /nfs/dbraw/zinc/49/56/29/1076495629.db2.gz SEVZXLRRMSFKHU-NRFANRHFSA-N 1 2 412.486 2.098 20 0 HEADLO COc1ccccc1CN(C)C(=O)COC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000741388221 1076495630 /nfs/dbraw/zinc/49/56/30/1076495630.db2.gz SEVZXLRRMSFKHU-NRFANRHFSA-N 1 2 412.486 2.098 20 0 HEADLO C[C@H](OC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1)C(=O)NCc1ccc(F)cc1 ZINC000741387472 1076496247 /nfs/dbraw/zinc/49/62/47/1076496247.db2.gz YHJFJEPEASKTKG-OXJNMPFZSA-N 1 2 400.450 2.275 20 0 HEADLO C[C@H](OC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1)C(=O)NCc1ccc(F)cc1 ZINC000741387472 1076496259 /nfs/dbraw/zinc/49/62/59/1076496259.db2.gz YHJFJEPEASKTKG-OXJNMPFZSA-N 1 2 400.450 2.275 20 0 HEADLO COc1cccc(CN(C)C(=O)COC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c1 ZINC000741381645 1076505933 /nfs/dbraw/zinc/50/59/33/1076505933.db2.gz IJUOYHAJGXFDLH-NRFANRHFSA-N 1 2 412.486 2.098 20 0 HEADLO COc1cccc(CN(C)C(=O)COC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c1 ZINC000741381645 1076505939 /nfs/dbraw/zinc/50/59/39/1076505939.db2.gz IJUOYHAJGXFDLH-NRFANRHFSA-N 1 2 412.486 2.098 20 0 HEADLO CC(=O)Nc1ccc(NC(=O)COC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cc1 ZINC000741383647 1076507977 /nfs/dbraw/zinc/50/79/77/1076507977.db2.gz VEDYUOCQASRSLD-FQEVSTJZSA-N 1 2 411.458 2.028 20 0 HEADLO CC(=O)Nc1ccc(NC(=O)COC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1 ZINC000741383647 1076507987 /nfs/dbraw/zinc/50/79/87/1076507987.db2.gz VEDYUOCQASRSLD-FQEVSTJZSA-N 1 2 411.458 2.028 20 0 HEADLO COc1cc(NC(=O)COC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)cc(OC)c1 ZINC000741384755 1076508359 /nfs/dbraw/zinc/50/83/59/1076508359.db2.gz DXSRLGORYQWUOF-HXUWFJFHSA-N 1 2 414.458 2.087 20 0 HEADLO COc1cc(NC(=O)COC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cc(OC)c1 ZINC000741384755 1076508364 /nfs/dbraw/zinc/50/83/64/1076508364.db2.gz DXSRLGORYQWUOF-HXUWFJFHSA-N 1 2 414.458 2.087 20 0 HEADLO C[C@H](NC(=O)COC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1)c1ccc(F)cc1 ZINC000741386136 1076509139 /nfs/dbraw/zinc/50/91/39/1076509139.db2.gz VEBYSVRJMSCHQM-OXJNMPFZSA-N 1 2 400.450 2.447 20 0 HEADLO C[C@H](NC(=O)COC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ccc(F)cc1 ZINC000741386136 1076509147 /nfs/dbraw/zinc/50/91/47/1076509147.db2.gz VEBYSVRJMSCHQM-OXJNMPFZSA-N 1 2 400.450 2.447 20 0 HEADLO CCOC(=O)[C@@H]1CN(C(=O)Nc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CCO1 ZINC000741394094 1076519828 /nfs/dbraw/zinc/51/98/28/1076519828.db2.gz VQPUEQDRZFEUCL-FCEWJHQRSA-N 1 2 405.495 2.092 20 0 HEADLO CCOC(=O)[C@@H]1CN(C(=O)Nc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CCO1 ZINC000741394094 1076519834 /nfs/dbraw/zinc/51/98/34/1076519834.db2.gz VQPUEQDRZFEUCL-FCEWJHQRSA-N 1 2 405.495 2.092 20 0 HEADLO O=C(NC[C@@H](O)c1c(F)cccc1Cl)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000741431764 1076524272 /nfs/dbraw/zinc/52/42/72/1076524272.db2.gz RXQZIQIWEZHIBV-MRXNPFEDSA-N 1 2 402.813 2.453 20 0 HEADLO Cc1n[nH]c(C)c1[C@H]1COCC[N@@H+]1CCC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000766273913 1076572329 /nfs/dbraw/zinc/57/23/29/1076572329.db2.gz BDAZJCZJQSNEGL-HXUWFJFHSA-N 1 2 413.522 2.265 20 0 HEADLO Cc1n[nH]c(C)c1[C@H]1COCC[N@H+]1CCC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000766273913 1076572338 /nfs/dbraw/zinc/57/23/38/1076572338.db2.gz BDAZJCZJQSNEGL-HXUWFJFHSA-N 1 2 413.522 2.265 20 0 HEADLO COCCCn1c(=O)c2ccc(C(=O)N(C)[C@H]3CC[N@H+](C)C[C@H]3C)cc2[nH]c1=S ZINC000741705781 1076599533 /nfs/dbraw/zinc/59/95/33/1076599533.db2.gz UKESIFUDINODGK-KDOFPFPSSA-N 1 2 418.563 2.134 20 0 HEADLO COCCCn1c(=O)c2ccc(C(=O)N(C)[C@H]3CC[N@@H+](C)C[C@H]3C)cc2[nH]c1=S ZINC000741705781 1076599537 /nfs/dbraw/zinc/59/95/37/1076599537.db2.gz UKESIFUDINODGK-KDOFPFPSSA-N 1 2 418.563 2.134 20 0 HEADLO COCCCOC1CC[NH+](CC(=O)Nc2sc3c(c2C(N)=O)CCCC3)CC1 ZINC000741794144 1076630897 /nfs/dbraw/zinc/63/08/97/1076630897.db2.gz PFSXZYKVIHSLLN-UHFFFAOYSA-N 1 2 409.552 2.182 20 0 HEADLO CN(C)c1ccc([NH+]2CCC(NC(=O)Cc3ccc(-n4cnnn4)cc3)CC2)cc1 ZINC000741983490 1076703193 /nfs/dbraw/zinc/70/31/93/1076703193.db2.gz LFHUKFNFDJICRG-UHFFFAOYSA-N 1 2 405.506 2.056 20 0 HEADLO CN(C)c1ccc([NH+]2CCC(NC(=O)[C@@H]3CC[C@@H](C(F)(F)F)NC3=O)CC2)cc1 ZINC000742109330 1076745018 /nfs/dbraw/zinc/74/50/18/1076745018.db2.gz NGSNORQGFXINNS-IRXDYDNUSA-N 1 2 412.456 2.295 20 0 HEADLO C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(CN2C(=O)NC3(CCOCC3)C2=O)CC1 ZINC000742176847 1076792408 /nfs/dbraw/zinc/79/24/08/1076792408.db2.gz NKJYZQDVSHYRER-HNNXBMFYSA-N 1 2 406.914 2.077 20 0 HEADLO CN(CC(=O)N1CCC([N@H+](C)CC(F)F)CC1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000742237554 1076803288 /nfs/dbraw/zinc/80/32/88/1076803288.db2.gz LYTBFLYEDSZPJE-UHFFFAOYSA-N 1 2 423.913 2.148 20 0 HEADLO CN(CC(=O)N1CCC([N@@H+](C)CC(F)F)CC1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000742237554 1076803290 /nfs/dbraw/zinc/80/32/90/1076803290.db2.gz LYTBFLYEDSZPJE-UHFFFAOYSA-N 1 2 423.913 2.148 20 0 HEADLO COc1ccc(CN2C[C@@H](C(=O)N3CCC([N@H+](C)CC(F)F)CC3)CC2=O)cc1 ZINC000742239124 1076803843 /nfs/dbraw/zinc/80/38/43/1076803843.db2.gz PJZQINLCLJZFQY-INIZCTEOSA-N 1 2 409.477 2.232 20 0 HEADLO COc1ccc(CN2C[C@@H](C(=O)N3CCC([N@@H+](C)CC(F)F)CC3)CC2=O)cc1 ZINC000742239124 1076803845 /nfs/dbraw/zinc/80/38/45/1076803845.db2.gz PJZQINLCLJZFQY-INIZCTEOSA-N 1 2 409.477 2.232 20 0 HEADLO CCOC(=O)N1CCC(S(=O)(=O)NC[C@H](C)[N@@H+]2CCc3sccc3C2)CC1 ZINC000742274653 1076807863 /nfs/dbraw/zinc/80/78/63/1076807863.db2.gz RKQRDCBHIWLYBH-AWEZNQCLSA-N 1 2 415.581 2.035 20 0 HEADLO CCOC(=O)N1CCC(S(=O)(=O)NC[C@H](C)[N@H+]2CCc3sccc3C2)CC1 ZINC000742274653 1076807864 /nfs/dbraw/zinc/80/78/64/1076807864.db2.gz RKQRDCBHIWLYBH-AWEZNQCLSA-N 1 2 415.581 2.035 20 0 HEADLO C[C@@H](Cn1cc[nH+]c1)NS(=O)(=O)C[C@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000742277372 1076809015 /nfs/dbraw/zinc/80/90/15/1076809015.db2.gz NKAAMOPLEGFMOG-HKUYNNGSSA-N 1 2 420.535 2.240 20 0 HEADLO O=S(=O)(/C=C\c1ccccc1Br)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000742316404 1076828681 /nfs/dbraw/zinc/82/86/81/1076828681.db2.gz IRRBVTPZQKCPMO-GIXCSOPHSA-N 1 2 415.353 2.404 20 0 HEADLO COc1ccc(C(N)=[NH+]OCC(=O)N2CCO[C@H](c3ccc(F)cc3)C2)cc1OC ZINC000742355114 1076829411 /nfs/dbraw/zinc/82/94/11/1076829411.db2.gz VNSNLBCVDJHKHJ-IBGZPJMESA-N 1 2 417.437 2.290 20 0 HEADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)/C=C\c2cnc(C(C)(C)C)s2)CC1 ZINC000742507464 1076846266 /nfs/dbraw/zinc/84/62/66/1076846266.db2.gz KIOLJPLNWNXZCI-WAYWQWQTSA-N 1 2 411.535 2.479 20 0 HEADLO Fc1ccc(NC(=S)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)c(F)c1 ZINC000737464928 1076858372 /nfs/dbraw/zinc/85/83/72/1076858372.db2.gz CTLGNAPMRCYOLE-UHFFFAOYSA-N 1 2 420.489 2.110 20 0 HEADLO Fc1ccc(NC(=S)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)c(F)c1 ZINC000737464928 1076858373 /nfs/dbraw/zinc/85/83/73/1076858373.db2.gz CTLGNAPMRCYOLE-UHFFFAOYSA-N 1 2 420.489 2.110 20 0 HEADLO CC(C)n1cc(Br)cc1C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000742657556 1076861052 /nfs/dbraw/zinc/86/10/52/1076861052.db2.gz WGHJHYFNFLOOTI-UHFFFAOYSA-N 1 2 420.373 2.070 20 0 HEADLO O=C(OCc1ccccc1)N1CCC(C(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)CC1 ZINC000742763923 1076875153 /nfs/dbraw/zinc/87/51/53/1076875153.db2.gz LBZSMFDCQFZVDP-OAQYLSRUSA-N 1 2 415.534 2.358 20 0 HEADLO COc1ccc2c(C)c(CCC(=O)N3CCC[C@@H]3C[NH+]3CCOCC3)c(=O)oc2c1 ZINC000742764601 1076875165 /nfs/dbraw/zinc/87/51/65/1076875165.db2.gz SNWFCWWYGDEFGO-QGZVFWFLSA-N 1 2 414.502 2.366 20 0 HEADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)Nc2ccc(Br)c(F)c2)CC1 ZINC000743210090 1077001542 /nfs/dbraw/zinc/00/15/42/1077001542.db2.gz FSJNDHOJBNORRS-UHFFFAOYSA-N 1 2 422.320 2.219 20 0 HEADLO CS(=O)(=O)CCOc1ccc(Cl)cc1NC(=O)NCCNc1cccc[nH+]1 ZINC000743237455 1077011399 /nfs/dbraw/zinc/01/13/99/1077011399.db2.gz JVJUYYXKTJOKPK-UHFFFAOYSA-N 1 2 412.899 2.392 20 0 HEADLO O=C1CN(/C=C/c2ccccc2)C(=O)N1C[NH+]1CCC(c2nnc3n2CCC3)CC1 ZINC000743354243 1077031057 /nfs/dbraw/zinc/03/10/57/1077031057.db2.gz NYZGYQLYSGAOPC-RIYZIHGNSA-N 1 2 406.490 2.296 20 0 HEADLO C[N@H+](C[C@@H]1CCCO1)CN1C(=O)N[C@@]2(CCCC[C@@H]2CNC(=O)OC(C)(C)C)C1=O ZINC000743365133 1077033311 /nfs/dbraw/zinc/03/33/11/1077033311.db2.gz QQEWVSACHFFIPG-VWKPWSFCSA-N 1 2 424.542 2.060 20 0 HEADLO C[N@@H+](C[C@@H]1CCCO1)CN1C(=O)N[C@@]2(CCCC[C@@H]2CNC(=O)OC(C)(C)C)C1=O ZINC000743365133 1077033314 /nfs/dbraw/zinc/03/33/14/1077033314.db2.gz QQEWVSACHFFIPG-VWKPWSFCSA-N 1 2 424.542 2.060 20 0 HEADLO COC(=O)c1cc(NC(=O)C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)c(F)cc1F ZINC000743402342 1077043532 /nfs/dbraw/zinc/04/35/32/1077043532.db2.gz YBTYZBYDYHKFRW-UHFFFAOYSA-N 1 2 414.368 2.192 20 0 HEADLO CC(C)(C)C1CCC2(CC1)NC(=O)N(CN1CCC[C@H]1C[NH+]1CCOCC1)C2=O ZINC000743375330 1077044102 /nfs/dbraw/zinc/04/41/02/1077044102.db2.gz NSWZQRITOJIHGV-DKTYTTGXSA-N 1 2 406.571 2.267 20 0 HEADLO COc1ccc(NC(=O)C(=O)N2CC[NH+](C3CC3)CC2)cc1NC(=O)OC(C)(C)C ZINC000743424523 1077046137 /nfs/dbraw/zinc/04/61/37/1077046137.db2.gz RWLDLWQNLCUTTO-UHFFFAOYSA-N 1 2 418.494 2.287 20 0 HEADLO CN(CCC[NH+]1CCN(C)CC1)C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1O ZINC000743488194 1077059619 /nfs/dbraw/zinc/05/96/19/1077059619.db2.gz FHVPJGYNZUIZHX-UHFFFAOYSA-N 1 2 406.527 2.449 20 0 HEADLO CN(C[C@H]1CCCN1C(=O)C[NH+]1CCN(c2ccccn2)CC1)C(=O)OC(C)(C)C ZINC000743772640 1077108343 /nfs/dbraw/zinc/10/83/43/1077108343.db2.gz PQIGGTCADOYSFN-GOSISDBHSA-N 1 2 417.554 2.062 20 0 HEADLO CN(C)c1ccc([NH+]2CCC(NC(=O)Nc3ccc4c(c3)C(=O)NC4=O)CC2)cc1 ZINC000743810329 1077127699 /nfs/dbraw/zinc/12/76/99/1077127699.db2.gz UKNLAKGGAFKAHK-UHFFFAOYSA-N 1 2 407.474 2.427 20 0 HEADLO COc1ccccc1CCNC(=O)C[N@@H+]1CCc2c(cccc2N2CCOC2=O)C1 ZINC000743858038 1077144868 /nfs/dbraw/zinc/14/48/68/1077144868.db2.gz LTQITGGVKVBROR-UHFFFAOYSA-N 1 2 409.486 2.369 20 0 HEADLO COc1ccccc1CCNC(=O)C[N@H+]1CCc2c(cccc2N2CCOC2=O)C1 ZINC000743858038 1077144875 /nfs/dbraw/zinc/14/48/75/1077144875.db2.gz LTQITGGVKVBROR-UHFFFAOYSA-N 1 2 409.486 2.369 20 0 HEADLO CN(C)c1ccc([NH+]2CCC(NC(=O)C(=O)Nc3ccc4c(c3)ncn4C)CC2)cc1 ZINC000743945388 1077239681 /nfs/dbraw/zinc/23/96/81/1077239681.db2.gz VHIGUBWEUFCOKJ-UHFFFAOYSA-N 1 2 420.517 2.363 20 0 HEADLO CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)C[N@@H+]2CCC[C@H]2c2ccc(O)cc2)C1=O ZINC000744200615 1077338768 /nfs/dbraw/zinc/33/87/68/1077338768.db2.gz NGCJZCBCBGISKG-CVDCTZTESA-N 1 2 422.485 2.418 20 0 HEADLO CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)C[N@H+]2CCC[C@H]2c2ccc(O)cc2)C1=O ZINC000744200615 1077338774 /nfs/dbraw/zinc/33/87/74/1077338774.db2.gz NGCJZCBCBGISKG-CVDCTZTESA-N 1 2 422.485 2.418 20 0 HEADLO CCCCCCN(CC[NH+]1CCOCC1)C(=O)c1cnc2cc(C)ccn2c1=O ZINC000744350062 1077371005 /nfs/dbraw/zinc/37/10/05/1077371005.db2.gz RHEHHOAROVZXRB-UHFFFAOYSA-N 1 2 400.523 2.358 20 0 HEADLO C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@@H+]1CCc2c(cccc2N2CCOC2=O)C1 ZINC000744415263 1077378212 /nfs/dbraw/zinc/37/82/12/1077378212.db2.gz XVHFCFXYYQEOTP-AWEZNQCLSA-N 1 2 408.458 2.127 20 0 HEADLO C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@H+]1CCc2c(cccc2N2CCOC2=O)C1 ZINC000744415263 1077378221 /nfs/dbraw/zinc/37/82/21/1077378221.db2.gz XVHFCFXYYQEOTP-AWEZNQCLSA-N 1 2 408.458 2.127 20 0 HEADLO CC(C)(C)OC(=O)N[C@H]1CC[N@H+](CN2CC3(CN(C(=O)OC(C)(C)C)C3)CC2=O)C1 ZINC000744435986 1077385062 /nfs/dbraw/zinc/38/50/62/1077385062.db2.gz XCIHYKOZQYCSRP-HNNXBMFYSA-N 1 2 424.542 2.012 20 0 HEADLO CC(C)(C)OC(=O)N[C@H]1CC[N@@H+](CN2CC3(CN(C(=O)OC(C)(C)C)C3)CC2=O)C1 ZINC000744435986 1077385067 /nfs/dbraw/zinc/38/50/67/1077385067.db2.gz XCIHYKOZQYCSRP-HNNXBMFYSA-N 1 2 424.542 2.012 20 0 HEADLO CCc1ccc(N2CC[NH+]([C@@H](C)C(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2)cc1 ZINC000744422720 1077386475 /nfs/dbraw/zinc/38/64/75/1077386475.db2.gz QVSZLJGYOOPTCL-INIZCTEOSA-N 1 2 416.547 2.046 20 0 HEADLO C[C@]1(C(=O)O[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2OC(=O)[C@]2(C)CCCO2)CCCO1 ZINC000766321009 1077446998 /nfs/dbraw/zinc/44/69/98/1077446998.db2.gz QQDOYFJBBLNLOH-PVTAMDAMSA-N 1 2 417.502 2.464 20 0 HEADLO C[C@]1(C(=O)O[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2OC(=O)[C@]2(C)CCCO2)CCCO1 ZINC000766321009 1077447013 /nfs/dbraw/zinc/44/70/13/1077447013.db2.gz QQDOYFJBBLNLOH-PVTAMDAMSA-N 1 2 417.502 2.464 20 0 HEADLO CCOC(=O)C1CCN(C(=O)[C@@H](C)OC(=O)[C@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC000745101953 1077731204 /nfs/dbraw/zinc/73/12/04/1077731204.db2.gz YIEWLNZLNYVPFR-APWZRJJASA-N 1 2 404.507 2.413 20 0 HEADLO CCOC(=O)C1CCN(C(=O)[C@@H](C)OC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC000745101953 1077731211 /nfs/dbraw/zinc/73/12/11/1077731211.db2.gz YIEWLNZLNYVPFR-APWZRJJASA-N 1 2 404.507 2.413 20 0 HEADLO C[N@@H+]1CCCC[C@@H]1C(=O)OCC(=O)N1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000745078203 1077733930 /nfs/dbraw/zinc/73/39/30/1077733930.db2.gz BJTGIMXQJMEYSX-GOSISDBHSA-N 1 2 411.905 2.151 20 0 HEADLO C[N@H+]1CCCC[C@@H]1C(=O)OCC(=O)N1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000745078203 1077733945 /nfs/dbraw/zinc/73/39/45/1077733945.db2.gz BJTGIMXQJMEYSX-GOSISDBHSA-N 1 2 411.905 2.151 20 0 HEADLO C[N@@H+]1CCCC[C@@H]1C(=O)OCC(=O)NC1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000745079382 1077734758 /nfs/dbraw/zinc/73/47/58/1077734758.db2.gz KHKADLPMQUEJHR-QGZVFWFLSA-N 1 2 402.491 2.371 20 0 HEADLO C[N@H+]1CCCC[C@@H]1C(=O)OCC(=O)NC1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000745079382 1077734771 /nfs/dbraw/zinc/73/47/71/1077734771.db2.gz KHKADLPMQUEJHR-QGZVFWFLSA-N 1 2 402.491 2.371 20 0 HEADLO COC(=O)C1CCN(C(=O)[C@@H](C)OC(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)CC1 ZINC000745105362 1077740423 /nfs/dbraw/zinc/74/04/23/1077740423.db2.gz SXJPNWGNWSBPTR-YLJYHZDGSA-N 1 2 416.518 2.384 20 0 HEADLO COC(=O)C1CCN(C(=O)[C@@H](C)OC(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC000745105362 1077740430 /nfs/dbraw/zinc/74/04/30/1077740430.db2.gz SXJPNWGNWSBPTR-YLJYHZDGSA-N 1 2 416.518 2.384 20 0 HEADLO Cc1occc1C[N@H+](C)CC(=O)NCCN1C(=O)S/C(=C/c2cccnc2)C1=O ZINC000771795775 1079511705 /nfs/dbraw/zinc/51/17/05/1079511705.db2.gz JRMRJFBNYGRTIS-LICLKQGHSA-N 1 2 414.487 2.268 20 0 HEADLO Cc1occc1C[N@@H+](C)CC(=O)NCCN1C(=O)S/C(=C/c2cccnc2)C1=O ZINC000771795775 1079511720 /nfs/dbraw/zinc/51/17/20/1079511720.db2.gz JRMRJFBNYGRTIS-LICLKQGHSA-N 1 2 414.487 2.268 20 0 HEADLO COC(=O)c1cccc([C@H](C(=O)OC)[N@@H+]2CCC[C@@H]2C[C@H](O)c2cnn(C)c2)c1 ZINC000766957876 1079521593 /nfs/dbraw/zinc/52/15/93/1079521593.db2.gz NBOCYJPWQKGOAV-CEXWTWQISA-N 1 2 401.463 2.009 20 0 HEADLO COC(=O)c1cccc([C@H](C(=O)OC)[N@H+]2CCC[C@@H]2C[C@H](O)c2cnn(C)c2)c1 ZINC000766957876 1079521601 /nfs/dbraw/zinc/52/16/01/1079521601.db2.gz NBOCYJPWQKGOAV-CEXWTWQISA-N 1 2 401.463 2.009 20 0 HEADLO Cn1cc([C@@H](O)C[C@@H]2CCC[N@@H+]2Cc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)cn1 ZINC000766945227 1079532730 /nfs/dbraw/zinc/53/27/30/1079532730.db2.gz HUJKGMWOVBMTTH-HKUYNNGSSA-N 1 2 419.489 2.343 20 0 HEADLO Cn1cc([C@@H](O)C[C@@H]2CCC[N@H+]2Cc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)cn1 ZINC000766945227 1079532754 /nfs/dbraw/zinc/53/27/54/1079532754.db2.gz HUJKGMWOVBMTTH-HKUYNNGSSA-N 1 2 419.489 2.343 20 0 HEADLO Cn1cc([C@@H](O)C[C@H]2CCC[N@@H+]2Cc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)cn1 ZINC000766945229 1079533066 /nfs/dbraw/zinc/53/30/66/1079533066.db2.gz HUJKGMWOVBMTTH-MJGOQNOKSA-N 1 2 419.489 2.343 20 0 HEADLO Cn1cc([C@@H](O)C[C@H]2CCC[N@H+]2Cc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)cn1 ZINC000766945229 1079533077 /nfs/dbraw/zinc/53/30/77/1079533077.db2.gz HUJKGMWOVBMTTH-MJGOQNOKSA-N 1 2 419.489 2.343 20 0 HEADLO COC(=O)[C@H](c1cc(OC)cc(OC)c1)[N@@H+]1CCC[C@H]1C[C@H](O)c1cnn(C)c1 ZINC000766946696 1079534706 /nfs/dbraw/zinc/53/47/06/1079534706.db2.gz QUNNCJBHEWNMNQ-VDGAXYAQSA-N 1 2 403.479 2.240 20 0 HEADLO COC(=O)[C@H](c1cc(OC)cc(OC)c1)[N@H+]1CCC[C@H]1C[C@H](O)c1cnn(C)c1 ZINC000766946696 1079534717 /nfs/dbraw/zinc/53/47/17/1079534717.db2.gz QUNNCJBHEWNMNQ-VDGAXYAQSA-N 1 2 403.479 2.240 20 0 HEADLO COc1cc2nc(C[N@@H+]3CCC[C@@H]3C[C@@H](O)c3cnn(C)c3)[nH]c(=O)c2cc1OC ZINC000766947261 1079538670 /nfs/dbraw/zinc/53/86/70/1079538670.db2.gz SCSYRMYTYXZOAR-RHSMWYFYSA-N 1 2 413.478 2.174 20 0 HEADLO COc1cc2nc(C[N@H+]3CCC[C@@H]3C[C@@H](O)c3cnn(C)c3)[nH]c(=O)c2cc1OC ZINC000766947261 1079538675 /nfs/dbraw/zinc/53/86/75/1079538675.db2.gz SCSYRMYTYXZOAR-RHSMWYFYSA-N 1 2 413.478 2.174 20 0 HEADLO Cn1ccnc1[C@@H](O)C1CCN(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)CC1 ZINC000771955911 1079602557 /nfs/dbraw/zinc/60/25/57/1079602557.db2.gz KTPDXFDQKVADMF-IBGZPJMESA-N 1 2 412.469 2.400 20 0 HEADLO C[N@@H+]1CCN(S(=O)(=O)CCNC(=O)OCc2ccccc2)[C@H](c2ccccc2)C1 ZINC000767080879 1079650922 /nfs/dbraw/zinc/65/09/22/1079650922.db2.gz QNJXKUSWCZVZEC-FQEVSTJZSA-N 1 2 417.531 2.231 20 0 HEADLO C[N@H+]1CCN(S(=O)(=O)CCNC(=O)OCc2ccccc2)[C@H](c2ccccc2)C1 ZINC000767080879 1079650942 /nfs/dbraw/zinc/65/09/42/1079650942.db2.gz QNJXKUSWCZVZEC-FQEVSTJZSA-N 1 2 417.531 2.231 20 0 HEADLO O=C(OCc1ccccc1)N1CC[NH+](C[C@@H](O)COc2ccc3c(c2)OCO3)CC1 ZINC000746521591 1079662132 /nfs/dbraw/zinc/66/21/32/1079662132.db2.gz YORUXNBSSDCCGD-GOSISDBHSA-N 1 2 414.458 2.109 20 0 HEADLO C[N@H+](CC(=O)OCC(=O)NCc1ccc(OC(F)(F)F)cc1)[C@@H]1CCSC1 ZINC000767109086 1079662918 /nfs/dbraw/zinc/66/29/18/1079662918.db2.gz CXMYTRXBHDSQDP-CYBMUJFWSA-N 1 2 406.426 2.182 20 0 HEADLO C[N@@H+](CC(=O)OCC(=O)NCc1ccc(OC(F)(F)F)cc1)[C@@H]1CCSC1 ZINC000767109086 1079662933 /nfs/dbraw/zinc/66/29/33/1079662933.db2.gz CXMYTRXBHDSQDP-CYBMUJFWSA-N 1 2 406.426 2.182 20 0 HEADLO C[C@@H](OC(=O)C[N@H+](C)[C@@H]1CCSC1)C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000772045996 1079668158 /nfs/dbraw/zinc/66/81/58/1079668158.db2.gz FGXUZJADMSNGBT-RHSMWYFYSA-N 1 2 405.520 2.121 20 0 HEADLO C[C@@H](OC(=O)C[N@@H+](C)[C@@H]1CCSC1)C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000772045996 1079668165 /nfs/dbraw/zinc/66/81/65/1079668165.db2.gz FGXUZJADMSNGBT-RHSMWYFYSA-N 1 2 405.520 2.121 20 0 HEADLO Cc1nn(-c2ccccc2)c(C)c1CNC(=O)COC(=O)C[N@@H+](C)[C@@H]1CCSC1 ZINC000772051409 1079671981 /nfs/dbraw/zinc/67/19/81/1079671981.db2.gz SVDBMOOYQJWCHG-GOSISDBHSA-N 1 2 416.547 2.086 20 0 HEADLO Cc1nn(-c2ccccc2)c(C)c1CNC(=O)COC(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000772051409 1079671986 /nfs/dbraw/zinc/67/19/86/1079671986.db2.gz SVDBMOOYQJWCHG-GOSISDBHSA-N 1 2 416.547 2.086 20 0 HEADLO COc1cccc(OCC[NH+]2CCN(C(=O)NC[C@@H](C)CC3(C)OCCO3)CC2)c1 ZINC000767095887 1079674511 /nfs/dbraw/zinc/67/45/11/1079674511.db2.gz NDWPQXKDSQOYCK-SFHVURJKSA-N 1 2 421.538 2.190 20 0 HEADLO COc1ccc([C@@H]2CCCN2C(=O)COC(=O)C[N@H+](C)[C@H]2CCSC2)c(OC)c1 ZINC000767116901 1079683243 /nfs/dbraw/zinc/68/32/43/1079683243.db2.gz OANNSSQWPKOPAO-YJBOKZPZSA-N 1 2 422.547 2.348 20 0 HEADLO COc1ccc([C@@H]2CCCN2C(=O)COC(=O)C[N@@H+](C)[C@H]2CCSC2)c(OC)c1 ZINC000767116901 1079683256 /nfs/dbraw/zinc/68/32/56/1079683256.db2.gz OANNSSQWPKOPAO-YJBOKZPZSA-N 1 2 422.547 2.348 20 0 HEADLO C[N@H+](CC(=O)OCC(=O)N1CCC(OCc2ccccc2)CC1)[C@H]1CCSC1 ZINC000772060993 1079704513 /nfs/dbraw/zinc/70/45/13/1079704513.db2.gz LPHLRXLGMQGQII-SFHVURJKSA-N 1 2 406.548 2.175 20 0 HEADLO C[N@@H+](CC(=O)OCC(=O)N1CCC(OCc2ccccc2)CC1)[C@H]1CCSC1 ZINC000772060993 1079704520 /nfs/dbraw/zinc/70/45/20/1079704520.db2.gz LPHLRXLGMQGQII-SFHVURJKSA-N 1 2 406.548 2.175 20 0 HEADLO CCc1nn(C)c(Cl)c1C(=O)NCCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000767285299 1079789600 /nfs/dbraw/zinc/78/96/00/1079789600.db2.gz DSBNZEMERGZUOO-UHFFFAOYSA-N 1 2 413.950 2.309 20 0 HEADLO CCOc1ccccc1NC(=O)[C@H](C)[NH+]1CCC(Oc2ccnc(C(N)=O)c2)CC1 ZINC000772326341 1079821932 /nfs/dbraw/zinc/82/19/32/1079821932.db2.gz CJBZMUVCRAGNCB-HNNXBMFYSA-N 1 2 412.490 2.450 20 0 HEADLO NC(=O)c1cc(OC2CC[NH+](CC(=O)Nc3ccc(OC(F)F)cc3)CC2)ccn1 ZINC000772347834 1079835937 /nfs/dbraw/zinc/83/59/37/1079835937.db2.gz UFWQTWSPYXANMT-UHFFFAOYSA-N 1 2 420.416 2.264 20 0 HEADLO CC(C)C[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000767431215 1079859989 /nfs/dbraw/zinc/85/99/89/1079859989.db2.gz PROYBAFEMBAFEB-AZUAARDMSA-N 1 2 404.555 2.080 20 0 HEADLO CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](C)C[NH+]1CCN(C)CC1 ZINC000767431219 1079860045 /nfs/dbraw/zinc/86/00/45/1079860045.db2.gz PROYBAFEMBAFEB-QUCCMNQESA-N 1 2 404.555 2.080 20 0 HEADLO CC[C@H](C(=O)OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)n1nnc(-c2ccc(Cl)cc2)n1 ZINC000767470866 1079871938 /nfs/dbraw/zinc/87/19/38/1079871938.db2.gz OAWRSOQFMGSVJF-IXDOHACOSA-N 1 2 405.886 2.351 20 0 HEADLO CC[C@H](C(=O)OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)n1nnc(-c2ccc(Cl)cc2)n1 ZINC000767470866 1079871943 /nfs/dbraw/zinc/87/19/43/1079871943.db2.gz OAWRSOQFMGSVJF-IXDOHACOSA-N 1 2 405.886 2.351 20 0 HEADLO Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)NCCc3cn4cccc(C)c4[nH+]3)C2=O)cc1 ZINC000746539964 1079877581 /nfs/dbraw/zinc/87/75/81/1079877581.db2.gz NZUDXJLZPJFWBW-HSZRJFAPSA-N 1 2 419.485 2.077 20 0 HEADLO CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)OCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000767451554 1079878626 /nfs/dbraw/zinc/87/86/26/1079878626.db2.gz OZGJBCCLTGJXFJ-CALCHBBNSA-N 1 2 410.536 2.046 20 0 HEADLO CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)OCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000767451554 1079878633 /nfs/dbraw/zinc/87/86/33/1079878633.db2.gz OZGJBCCLTGJXFJ-CALCHBBNSA-N 1 2 410.536 2.046 20 0 HEADLO O=C(OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)c1cc(F)ccc1I ZINC000767528522 1079921164 /nfs/dbraw/zinc/92/11/64/1079921164.db2.gz SWLQFDVBTZUXBP-TXEJJXNPSA-N 1 2 405.207 2.450 20 0 HEADLO O=C(OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)c1cc(F)ccc1I ZINC000767528522 1079921174 /nfs/dbraw/zinc/92/11/74/1079921174.db2.gz SWLQFDVBTZUXBP-TXEJJXNPSA-N 1 2 405.207 2.450 20 0 HEADLO COc1ccc(COC(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)cc1F ZINC000767536453 1079938413 /nfs/dbraw/zinc/93/84/13/1079938413.db2.gz HROBLMALYSUEDX-UHFFFAOYSA-N 1 2 401.438 2.402 20 0 HEADLO COc1ccc(OCCOC(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000767536431 1079938785 /nfs/dbraw/zinc/93/87/85/1079938785.db2.gz HHWIGFAJUSHXBI-UHFFFAOYSA-N 1 2 413.474 2.141 20 0 HEADLO O=C(CCC(=O)N1CCN(c2cccc[nH+]2)CC1)OCCc1ccc2c(c1)CCO2 ZINC000767537781 1079940238 /nfs/dbraw/zinc/94/02/38/1079940238.db2.gz KJIGIOMSLKAMIZ-UHFFFAOYSA-N 1 2 409.486 2.231 20 0 HEADLO Cc1ccccc1NC(=O)[C@@H](C)OC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000767539320 1079940393 /nfs/dbraw/zinc/94/03/93/1079940393.db2.gz QLXGWXRZYSWZJY-GOSISDBHSA-N 1 2 424.501 2.389 20 0 HEADLO CCc1ccccc1NC(=O)COC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000767538708 1079942048 /nfs/dbraw/zinc/94/20/48/1079942048.db2.gz NWYSLRJAZIRLPY-UHFFFAOYSA-N 1 2 424.501 2.255 20 0 HEADLO CC(C)(C)OC(=O)N1CC[C@H](N(C(=O)NCC(C)(C)[NH+]2CCOCC2)C2CC2)C1 ZINC000772587050 1079947323 /nfs/dbraw/zinc/94/73/23/1079947323.db2.gz BIUICFAQOSLDGK-KRWDZBQOSA-N 1 2 410.559 2.281 20 0 HEADLO CN1C(=O)C[C@@H](C(=O)OCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000767580270 1079965245 /nfs/dbraw/zinc/96/52/45/1079965245.db2.gz NMAZQZXLZHXQKA-GJRWTSMGSA-N 1 2 410.873 2.405 20 0 HEADLO CN1C(=O)C[C@@H](C(=O)OCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000767580270 1079965251 /nfs/dbraw/zinc/96/52/51/1079965251.db2.gz NMAZQZXLZHXQKA-GJRWTSMGSA-N 1 2 410.873 2.405 20 0 HEADLO Cn1cc[nH+]c1[C@@H]1CCCN(S(=O)(=O)c2cc(S(C)(=O)=O)ccc2Cl)C1 ZINC000767654809 1080022966 /nfs/dbraw/zinc/02/29/66/1080022966.db2.gz BFITXCVFGBXXTB-GFCCVEGCSA-N 1 2 417.940 2.045 20 0 HEADLO Cn1cc[nH+]c1[C@H]1CCCN(S(=O)(=O)c2cc(S(C)(=O)=O)sc2Cl)C1 ZINC000767655908 1080023192 /nfs/dbraw/zinc/02/31/92/1080023192.db2.gz SMMRCPATWKFKBP-JTQLQIEISA-N 1 2 423.969 2.107 20 0 HEADLO CC1(c2ccc(S(=O)(=O)NCc3cc[nH+]c(N4CCCC4)c3)cc2)OCCO1 ZINC000767692762 1080026729 /nfs/dbraw/zinc/02/67/29/1080026729.db2.gz XZBMONBKZAQPTA-UHFFFAOYSA-N 1 2 403.504 2.380 20 0 HEADLO Cc1nn(C)c2sc(C(=O)N[C@H](C)C(=O)N[C@H](Cn3cc[nH+]c3)C(C)(C)C)cc12 ZINC000742054513 1080034214 /nfs/dbraw/zinc/03/42/14/1080034214.db2.gz ALATVIDOQTTZRL-CZUORRHYSA-N 1 2 416.551 2.489 20 0 HEADLO COc1cc(S(=O)(=O)N2CCC[C@@H]2C[NH+]2C[C@@H](C)O[C@H](C)C2)cnc1Cl ZINC000767730673 1080058037 /nfs/dbraw/zinc/05/80/37/1080058037.db2.gz ZLZXLUOCUGWLEZ-MGPQQGTHSA-N 1 2 403.932 2.006 20 0 HEADLO COc1cccc([C@@H]2CN(C(=O)c3cc(Br)c(C)n(C)c3=O)CC[NH2+]2)c1 ZINC001169974349 1080070014 /nfs/dbraw/zinc/07/00/14/1080070014.db2.gz IXANQOFOIILCCH-KRWDZBQOSA-N 1 2 420.307 2.252 20 0 HEADLO CC(C)(C)OC(=O)N1C[C@@H]([N@@H+]2Cc3ccncc3C2)C[C@H]1C(=O)N1CCSC1 ZINC001170048218 1080080434 /nfs/dbraw/zinc/08/04/34/1080080434.db2.gz LHTPNHLGYZAAOM-IRXDYDNUSA-N 1 2 404.536 2.308 20 0 HEADLO CC(C)(C)OC(=O)N1C[C@@H]([N@H+]2Cc3ccncc3C2)C[C@H]1C(=O)N1CCSC1 ZINC001170048218 1080080442 /nfs/dbraw/zinc/08/04/42/1080080442.db2.gz LHTPNHLGYZAAOM-IRXDYDNUSA-N 1 2 404.536 2.308 20 0 HEADLO CCOC1CC(CNC(=O)N[C@@H](C)COc2ccc(C)cc2)([NH+]2CCOCC2)C1 ZINC000767781591 1080089163 /nfs/dbraw/zinc/08/91/63/1080089163.db2.gz PJPMFSPLTBAMMV-NLMOZGTASA-N 1 2 405.539 2.331 20 0 HEADLO CCOc1ccnc(N2CCC[N@H+](CN3C(=O)CC[C@@H](CC(C)C)C3=O)CC2)n1 ZINC000767797104 1080100080 /nfs/dbraw/zinc/10/00/80/1080100080.db2.gz LVKZEMAAPCEFTO-KRWDZBQOSA-N 1 2 403.527 2.156 20 0 HEADLO CCOc1ccnc(N2CCC[N@@H+](CN3C(=O)CC[C@@H](CC(C)C)C3=O)CC2)n1 ZINC000767797104 1080100096 /nfs/dbraw/zinc/10/00/96/1080100096.db2.gz LVKZEMAAPCEFTO-KRWDZBQOSA-N 1 2 403.527 2.156 20 0 HEADLO O=C(OCc1csc(C2CCCC2)n1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000785660402 1080180685 /nfs/dbraw/zinc/18/06/85/1080180685.db2.gz GBJDPVHURYFADD-MRXNPFEDSA-N 1 2 407.536 2.025 20 0 HEADLO O=C(OCC1CCC(C(F)(F)F)CC1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000785659686 1080181922 /nfs/dbraw/zinc/18/19/22/1080181922.db2.gz IFFFPQGPJWOBJR-PCKAHOCUSA-N 1 2 406.445 2.079 20 0 HEADLO C[C@H](NC(=O)CNC(=O)C[NH+]1CCC(O)(c2ccccc2)CC1)c1ccc(F)cc1 ZINC000767859115 1080182222 /nfs/dbraw/zinc/18/22/22/1080182222.db2.gz QGSPSUAZOJWNOZ-KRWDZBQOSA-N 1 2 413.493 2.103 20 0 HEADLO C[C@H](OC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc(C(F)(F)F)cc1 ZINC000785664066 1080185094 /nfs/dbraw/zinc/18/50/94/1080185094.db2.gz QTMUCNKARIGNAA-GOEBONIOSA-N 1 2 414.424 2.490 20 0 HEADLO CC(C)(C)OC(=O)N1C[C@@H]([N@@H+]2CCc3cccnc3C2)C[C@H]1C(=O)N1CCSC1 ZINC001170049669 1080215790 /nfs/dbraw/zinc/21/57/90/1080215790.db2.gz DWANWCZVQWAJMH-WMZOPIPTSA-N 1 2 418.563 2.351 20 0 HEADLO CC(C)(C)OC(=O)N1C[C@@H]([N@H+]2CCc3cccnc3C2)C[C@H]1C(=O)N1CCSC1 ZINC001170049669 1080215798 /nfs/dbraw/zinc/21/57/98/1080215798.db2.gz DWANWCZVQWAJMH-WMZOPIPTSA-N 1 2 418.563 2.351 20 0 HEADLO C[N@@H+]1CCN(C(=O)N[C@H]2CCOc3c(F)cccc32)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000785972160 1080329700 /nfs/dbraw/zinc/32/97/00/1080329700.db2.gz XSZPOTMVKLEYPR-PBHICJAKSA-N 1 2 422.501 2.500 20 0 HEADLO C[N@H+]1CCN(C(=O)N[C@H]2CCOc3c(F)cccc32)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000785972160 1080329705 /nfs/dbraw/zinc/32/97/05/1080329705.db2.gz XSZPOTMVKLEYPR-PBHICJAKSA-N 1 2 422.501 2.500 20 0 HEADLO COCCN(CCNC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1)C(=O)OC(C)(C)C ZINC000768115687 1080348988 /nfs/dbraw/zinc/34/89/88/1080348988.db2.gz SNVVSGNPTVGPSN-IRXDYDNUSA-N 1 2 409.531 2.359 20 0 HEADLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)C(=O)N1CCCN(c2ncccc2F)CC1 ZINC000786005031 1080368570 /nfs/dbraw/zinc/36/85/70/1080368570.db2.gz SNHSKLNIVPZCRP-UHFFFAOYSA-N 1 2 408.437 2.084 20 0 HEADLO CC(C)(C)OC(=O)N1C[C@H]2CC(C(=O)NCCCNc3cccc[nH+]3)C[C@@H](C1)C2=O ZINC000768168194 1080382417 /nfs/dbraw/zinc/38/24/17/1080382417.db2.gz XBSAGBYIFLIDMQ-ALOPSCKCSA-N 1 2 416.522 2.462 20 0 HEADLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)C(=O)Nc2cnc(Cl)c(Br)c2)C1 ZINC000768205461 1080395768 /nfs/dbraw/zinc/39/57/68/1080395768.db2.gz CXBVMBQRLSSRKZ-SECBINFHSA-N 1 2 412.675 2.186 20 0 HEADLO COc1ccc(OC)c2c1C[N@H+](Cc1ccccc1OCC(=O)N(C)C)C[C@@H]2O ZINC000768208197 1080397269 /nfs/dbraw/zinc/39/72/69/1080397269.db2.gz UBYYXCHYTJGOIE-KRWDZBQOSA-N 1 2 400.475 2.220 20 0 HEADLO COc1ccc(OC)c2c1C[N@@H+](Cc1ccccc1OCC(=O)N(C)C)C[C@@H]2O ZINC000768208197 1080397277 /nfs/dbraw/zinc/39/72/77/1080397277.db2.gz UBYYXCHYTJGOIE-KRWDZBQOSA-N 1 2 400.475 2.220 20 0 HEADLO CCC[N@H+](Cc1cc2ccccc2nc1N1CCOCC1)[C@H]1CCS(=O)(=O)C1 ZINC000768182408 1080401018 /nfs/dbraw/zinc/40/10/18/1080401018.db2.gz ZZRXWWLYTARXCC-IBGZPJMESA-N 1 2 403.548 2.471 20 0 HEADLO CCC[N@@H+](Cc1cc2ccccc2nc1N1CCOCC1)[C@H]1CCS(=O)(=O)C1 ZINC000768182408 1080401026 /nfs/dbraw/zinc/40/10/26/1080401026.db2.gz ZZRXWWLYTARXCC-IBGZPJMESA-N 1 2 403.548 2.471 20 0 HEADLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)C2C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H](C2)C3=O)C1 ZINC000768325479 1080487343 /nfs/dbraw/zinc/48/73/43/1080487343.db2.gz HZRXQYVMDUNNTB-XYTVBORESA-N 1 2 416.522 2.198 20 0 HEADLO COC(=O)CCc1cccc(NC(=O)C(=O)N2CC[NH+](Cc3cccc(C)c3)CC2)c1 ZINC000786276087 1080523776 /nfs/dbraw/zinc/52/37/76/1080523776.db2.gz QYVNFBULKXGYIC-UHFFFAOYSA-N 1 2 423.513 2.384 20 0 HEADLO Cc1cn2cc(NC(=O)CNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)ccc2[nH+]1 ZINC000768385772 1080536456 /nfs/dbraw/zinc/53/64/56/1080536456.db2.gz XCZFJORUFMTUMW-KRWDZBQOSA-N 1 2 403.483 2.247 20 0 HEADLO O=C(NCc1ccccc1C[NH+]1CCOCC1)C(=O)Nc1cccc(C(F)(F)F)n1 ZINC000786267897 1080549840 /nfs/dbraw/zinc/54/98/40/1080549840.db2.gz KHIDXUVLFSJAMV-UHFFFAOYSA-N 1 2 422.407 2.188 20 0 HEADLO Cc1cccc(OCCNC(=O)N2CC[N@@H+](C)C[C@@H]2CNC(=O)OC(C)(C)C)c1 ZINC000768496983 1080592348 /nfs/dbraw/zinc/59/23/48/1080592348.db2.gz GKDWSHNFTGOEHE-KRWDZBQOSA-N 1 2 406.527 2.224 20 0 HEADLO Cc1cccc(OCCNC(=O)N2CC[N@H+](C)C[C@@H]2CNC(=O)OC(C)(C)C)c1 ZINC000768496983 1080592358 /nfs/dbraw/zinc/59/23/58/1080592358.db2.gz GKDWSHNFTGOEHE-KRWDZBQOSA-N 1 2 406.527 2.224 20 0 HEADLO CCc1ccc([C@@]2(CC)NC(=O)N(CN3CCC[C@H]3C[NH+]3CCOCC3)C2=O)cc1 ZINC000768493904 1080605424 /nfs/dbraw/zinc/60/54/24/1080605424.db2.gz LKARGAPCARTOQN-NZQKXSOJSA-N 1 2 414.550 2.160 20 0 HEADLO COC(=O)c1cc(S(=O)(=O)N2C[C@@H](C)[N@H+](C)C[C@@H]2C)c(F)cc1Br ZINC000768562591 1080632289 /nfs/dbraw/zinc/63/22/89/1080632289.db2.gz OQCGJBLKYQEDRZ-ZJUUUORDSA-N 1 2 423.304 2.088 20 0 HEADLO COC(=O)c1cc(S(=O)(=O)N2C[C@@H](C)[N@@H+](C)C[C@@H]2C)c(F)cc1Br ZINC000768562591 1080632295 /nfs/dbraw/zinc/63/22/95/1080632295.db2.gz OQCGJBLKYQEDRZ-ZJUUUORDSA-N 1 2 423.304 2.088 20 0 HEADLO CCN(C[C@@H](O)c1ccc(C)cc1)C(=O)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000786498812 1080658242 /nfs/dbraw/zinc/65/82/42/1080658242.db2.gz BLQRGQHPOXLWGM-HXUWFJFHSA-N 1 2 410.518 2.189 20 0 HEADLO O=C(COC(=O)[C@H](O)c1ccccc1Cl)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000768599443 1080677256 /nfs/dbraw/zinc/67/72/56/1080677256.db2.gz MUZVMUVFFCYYND-HXUWFJFHSA-N 1 2 418.877 2.388 20 0 HEADLO CN(C)c1ccc([NH+]2CCC(NC(=O)C(=O)NCc3ccc(Cl)nc3)CC2)cc1 ZINC000786605973 1080705577 /nfs/dbraw/zinc/70/55/77/1080705577.db2.gz SOVHTOCTBMAVEE-UHFFFAOYSA-N 1 2 415.925 2.202 20 0 HEADLO C[C@H](C[C@H]1COCCN1C(=O)OC(C)(C)C)[NH2+]c1ccc(N2CCNC(=O)C2)cc1 ZINC000768666544 1080707714 /nfs/dbraw/zinc/70/77/14/1080707714.db2.gz ULBCNEYGRQNIBL-APWZRJJASA-N 1 2 418.538 2.449 20 0 HEADLO Cc1cc(C)c(NC(=O)CNC(=O)C[N@@H+](C)CCN(C)C(=O)OC(C)(C)C)c(C)c1 ZINC000768742835 1080767157 /nfs/dbraw/zinc/76/71/57/1080767157.db2.gz BZZHOQYZXBHMJH-UHFFFAOYSA-N 1 2 420.554 2.465 20 0 HEADLO Cc1cc(C)c(NC(=O)CNC(=O)C[N@H+](C)CCN(C)C(=O)OC(C)(C)C)c(C)c1 ZINC000768742835 1080767166 /nfs/dbraw/zinc/76/71/66/1080767166.db2.gz BZZHOQYZXBHMJH-UHFFFAOYSA-N 1 2 420.554 2.465 20 0 HEADLO O=C(COC(=O)c1coc(C2CCOCC2)n1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000786716286 1080768764 /nfs/dbraw/zinc/76/87/64/1080768764.db2.gz MHVMXUXHJZOFOV-UHFFFAOYSA-N 1 2 419.503 2.131 20 0 HEADLO CC(C)[C@@H](CNC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)Cc1ccccc1 ZINC000786758060 1080796895 /nfs/dbraw/zinc/79/68/95/1080796895.db2.gz JAULIMPKUHNLSG-LJQANCHMSA-N 1 2 409.596 2.310 20 0 HEADLO O=C(COC(=O)C[C@@H]1C(=O)Nc2ccccc21)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000746608328 1080816155 /nfs/dbraw/zinc/81/61/55/1080816155.db2.gz FGLIJCGWNBNFLO-IBGZPJMESA-N 1 2 423.469 2.127 20 0 HEADLO COc1ccc(NC(=O)[C@H]2CCC[N@@H+]2Cc2c(C)nn(C)c2N2CCOCC2)cc1 ZINC000768875960 1080827925 /nfs/dbraw/zinc/82/79/25/1080827925.db2.gz AQRGYPIDLFSIBL-HXUWFJFHSA-N 1 2 413.522 2.177 20 0 HEADLO COc1ccc(NC(=O)[C@H]2CCC[N@H+]2Cc2c(C)nn(C)c2N2CCOCC2)cc1 ZINC000768875960 1080827934 /nfs/dbraw/zinc/82/79/34/1080827934.db2.gz AQRGYPIDLFSIBL-HXUWFJFHSA-N 1 2 413.522 2.177 20 0 HEADLO C[N@H+](CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)Cc1cccc2c1OCCCO2 ZINC000768992912 1080879490 /nfs/dbraw/zinc/87/94/90/1080879490.db2.gz RLXKSSCGFDHZFN-UHFFFAOYSA-N 1 2 419.522 2.359 20 0 HEADLO C[N@@H+](CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)Cc1cccc2c1OCCCO2 ZINC000768992912 1080879491 /nfs/dbraw/zinc/87/94/91/1080879491.db2.gz RLXKSSCGFDHZFN-UHFFFAOYSA-N 1 2 419.522 2.359 20 0 HEADLO O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)OCc1ncc(-c2cccs2)o1 ZINC000786994578 1080904163 /nfs/dbraw/zinc/90/41/63/1080904163.db2.gz DIKXWCFLTNJHHR-HNNXBMFYSA-N 1 2 419.503 2.160 20 0 HEADLO CC(C)Oc1cccc(COC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)c1 ZINC000787002153 1080915891 /nfs/dbraw/zinc/91/58/91/1080915891.db2.gz SEFLBMSGSBXJHU-HXUWFJFHSA-N 1 2 404.507 2.230 20 0 HEADLO CCCCc1nc(COC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)cs1 ZINC000787003610 1080916798 /nfs/dbraw/zinc/91/67/98/1080916798.db2.gz ZJMVXIONVUXFJR-QGZVFWFLSA-N 1 2 409.552 2.242 20 0 HEADLO CNC(=O)c1ccc(C)c(NC(=O)C[NH+]2CCC(NC(=O)OC(C)(C)C)CC2)c1 ZINC000769110087 1080938397 /nfs/dbraw/zinc/93/83/97/1080938397.db2.gz SPXGKMCHGNLNDH-UHFFFAOYSA-N 1 2 404.511 2.282 20 0 HEADLO C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1ccc2c(c1)[nH]c(=S)n(Cc1ccco1)c2=O ZINC000769141975 1080958159 /nfs/dbraw/zinc/95/81/59/1080958159.db2.gz WAINMDOZVMVCDN-UONOGXRCSA-N 1 2 412.515 2.491 20 0 HEADLO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1ccc2c(c1)[nH]c(=S)n(Cc1ccco1)c2=O ZINC000769141975 1080958167 /nfs/dbraw/zinc/95/81/67/1080958167.db2.gz WAINMDOZVMVCDN-UONOGXRCSA-N 1 2 412.515 2.491 20 0 HEADLO C[C@H]1C[N@H+](CCNC(=O)[C@@H]2c3ccccc3CCN2C(=O)OC(C)(C)C)CCO1 ZINC000769163532 1080980820 /nfs/dbraw/zinc/98/08/20/1080980820.db2.gz BSRQHMODFFJPQF-LPHOPBHVSA-N 1 2 403.523 2.358 20 0 HEADLO C[C@H]1C[N@@H+](CCNC(=O)[C@@H]2c3ccccc3CCN2C(=O)OC(C)(C)C)CCO1 ZINC000769163532 1080980832 /nfs/dbraw/zinc/98/08/32/1080980832.db2.gz BSRQHMODFFJPQF-LPHOPBHVSA-N 1 2 403.523 2.358 20 0 HEADLO C[C@@H](C(=O)NC1CC1)N1CC[NH+](CCOc2ccccc2C(=O)OC(C)(C)C)CC1 ZINC000769205413 1081001556 /nfs/dbraw/zinc/00/15/56/1081001556.db2.gz MOKNMSCFXDNXHG-KRWDZBQOSA-N 1 2 417.550 2.305 20 0 HEADLO CC(=O)Nc1cc(NC(=O)N2CC[N@@H+](C)C[C@H]2CNC(=O)OC(C)(C)C)ccc1F ZINC000769239579 1081012407 /nfs/dbraw/zinc/01/24/07/1081012407.db2.gz XEDHPCBCPPIHBQ-OAHLLOKOSA-N 1 2 423.489 2.457 20 0 HEADLO CC(=O)Nc1cc(NC(=O)N2CC[N@H+](C)C[C@H]2CNC(=O)OC(C)(C)C)ccc1F ZINC000769239579 1081012413 /nfs/dbraw/zinc/01/24/13/1081012413.db2.gz XEDHPCBCPPIHBQ-OAHLLOKOSA-N 1 2 423.489 2.457 20 0 HEADLO CC(=O)N1CCc2c1cccc2NC(=O)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000769259203 1081019853 /nfs/dbraw/zinc/01/98/53/1081019853.db2.gz HQQSBCPQVIEACL-UHFFFAOYSA-N 1 2 403.442 2.036 20 0 HEADLO COc1ccc(OCC(=O)N2CC[N@H+](C)C[C@H]2CNC(=O)OC(C)(C)C)cc1C ZINC000769270563 1081024610 /nfs/dbraw/zinc/02/46/10/1081024610.db2.gz AHTBRMXHPIJQDK-MRXNPFEDSA-N 1 2 407.511 2.050 20 0 HEADLO COc1ccc(OCC(=O)N2CC[N@@H+](C)C[C@H]2CNC(=O)OC(C)(C)C)cc1C ZINC000769270563 1081024619 /nfs/dbraw/zinc/02/46/19/1081024619.db2.gz AHTBRMXHPIJQDK-MRXNPFEDSA-N 1 2 407.511 2.050 20 0 HEADLO CC(C)(C)OC(=O)N1CC[C@@H]([NH+]2CCN(CC(=O)Nc3cccc(F)c3)CC2)C1 ZINC000769279503 1081029669 /nfs/dbraw/zinc/02/96/69/1081029669.db2.gz WZUBJVCFTPQWCC-GOSISDBHSA-N 1 2 406.502 2.391 20 0 HEADLO C[C@@H](C(=O)N1CCCCCC1)[NH+]1CCN([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000769298338 1081034015 /nfs/dbraw/zinc/03/40/15/1081034015.db2.gz IYFORPWRWNQLSZ-RBUKOAKNSA-N 1 2 408.587 2.405 20 0 HEADLO C[C@@H](C(=O)N1CCCCCC1)N1CC[NH+]([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000769298338 1081034021 /nfs/dbraw/zinc/03/40/21/1081034021.db2.gz IYFORPWRWNQLSZ-RBUKOAKNSA-N 1 2 408.587 2.405 20 0 HEADLO COc1cc(CNC(=O)C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)ccc1OC(C)C ZINC000787217434 1081052711 /nfs/dbraw/zinc/05/27/11/1081052711.db2.gz NQGIZBXYPRJHRN-MRXNPFEDSA-N 1 2 400.479 2.228 20 0 HEADLO CN(C)C(=O)COc1ccc(C(F)(F)C(=O)NCCc2cn3c([nH+]2)CCCC3)cc1 ZINC000769369454 1081055690 /nfs/dbraw/zinc/05/56/90/1081055690.db2.gz AZEOMHWVFHWDCP-UHFFFAOYSA-N 1 2 420.460 2.137 20 0 HEADLO Cc1nn(CC(=O)OC(C)C)c(C)c1C[N@H+](C)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000769422554 1081068270 /nfs/dbraw/zinc/06/82/70/1081068270.db2.gz JUQHMBMHISLEER-HNNXBMFYSA-N 1 2 404.433 2.047 20 0 HEADLO Cc1nn(CC(=O)OC(C)C)c(C)c1C[N@@H+](C)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000769422554 1081068274 /nfs/dbraw/zinc/06/82/74/1081068274.db2.gz JUQHMBMHISLEER-HNNXBMFYSA-N 1 2 404.433 2.047 20 0 HEADLO COCCN(Cc1ccnn1C)C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000787267478 1081100620 /nfs/dbraw/zinc/10/06/20/1081100620.db2.gz TWFKDDJMVZDWCQ-UHFFFAOYSA-N 1 2 414.554 2.313 20 0 HEADLO COC(=O)c1cccc(NC(=O)C[N@@H+]2CC[C@H](NC(=O)OC(C)(C)C)C[C@H]2C)n1 ZINC000787269813 1081101881 /nfs/dbraw/zinc/10/18/81/1081101881.db2.gz RJNKNLKKROLFIR-KGLIPLIRSA-N 1 2 406.483 2.184 20 0 HEADLO COC(=O)c1cccc(NC(=O)C[N@H+]2CC[C@H](NC(=O)OC(C)(C)C)C[C@H]2C)n1 ZINC000787269813 1081101884 /nfs/dbraw/zinc/10/18/84/1081101884.db2.gz RJNKNLKKROLFIR-KGLIPLIRSA-N 1 2 406.483 2.184 20 0 HEADLO CCN(CCS(C)(=O)=O)C(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000769533660 1081113386 /nfs/dbraw/zinc/11/33/86/1081113386.db2.gz XXBJPHYVGOSXCN-HNNXBMFYSA-N 1 2 409.474 2.384 20 0 HEADLO COC(=O)c1nccnc1N1CCC2(CC1)COCC[N@@H+]2Cc1ccc(F)cc1 ZINC001164673864 719498280 /nfs/dbraw/zinc/49/82/80/719498280.db2.gz SLTVNKXHFAJPCN-UHFFFAOYSA-N 1 2 400.454 2.274 20 0 HEADLO COC(=O)c1nccnc1N1CCC2(CC1)COCC[N@H+]2Cc1ccc(F)cc1 ZINC001164673864 719498287 /nfs/dbraw/zinc/49/82/87/719498287.db2.gz SLTVNKXHFAJPCN-UHFFFAOYSA-N 1 2 400.454 2.274 20 0 HEADLO Cc1nc(-n2cncn2)cc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)n1 ZINC001164678600 719528477 /nfs/dbraw/zinc/52/84/77/719528477.db2.gz MGWGMMZPBXXCRC-UHFFFAOYSA-N 1 2 423.496 2.376 20 0 HEADLO Cc1nc(-n2cncn2)cc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)n1 ZINC001164678600 719528480 /nfs/dbraw/zinc/52/84/80/719528480.db2.gz MGWGMMZPBXXCRC-UHFFFAOYSA-N 1 2 423.496 2.376 20 0 HEADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc(C(=O)OC(C)(C)C)ccn1 ZINC001164699889 719843737 /nfs/dbraw/zinc/84/37/37/719843737.db2.gz ISMFZBGUQJSESS-JTSKRJEESA-N 1 2 419.522 2.270 20 0 HEADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1[C@@H](F)Oc1cccc(Cl)n1 ZINC001164698403 719854474 /nfs/dbraw/zinc/85/44/74/719854474.db2.gz BZUOGBFUAXUSJC-VHSSKADRSA-N 1 2 401.866 2.095 20 0 HEADLO CCc1c(Cl)nnc(N2CC[C@H]([NH+]3CCOCC3)C[C@@]2(C)C(=O)OC)c1CC ZINC001164702920 719855426 /nfs/dbraw/zinc/85/54/26/719855426.db2.gz OHFQPRASGNYDSU-XOBRGWDASA-N 1 2 410.946 2.488 20 0 HEADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(C)c2cc(OC)ccc2n1 ZINC001164705170 719858630 /nfs/dbraw/zinc/85/86/30/719858630.db2.gz UBTYTXUNDGUVRG-OPAMFIHVSA-N 1 2 414.506 2.180 20 0 HEADLO CCCN(CCC)c1cc(N2CC[C@H]([NH+]3CCOCC3)C[C@@]2(C)C(=O)OC)ncn1 ZINC001164704647 719862085 /nfs/dbraw/zinc/86/20/85/719862085.db2.gz SDCCGVMEDSCWLX-AVRDEDQJSA-N 1 2 419.570 2.336 20 0 HEADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc2ccc(OC)cc2nc1C ZINC001164700492 719871961 /nfs/dbraw/zinc/87/19/61/719871961.db2.gz DRTZPXGXDLKRNM-AOMKIAJQSA-N 1 2 414.506 2.180 20 0 HEADLO CCCSc1ncnc(N2CC[C@@H]([NH+]3CCOCC3)C[C@@]2(C)C(=O)OC)c1OC ZINC001164702791 719879080 /nfs/dbraw/zinc/87/90/80/719879080.db2.gz QFXYDQRGYCRZDB-QRWLVFNGSA-N 1 2 424.567 2.220 20 0 HEADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc2c(nc1Cl)CCCC2 ZINC001164702244 719879255 /nfs/dbraw/zinc/87/92/55/719879255.db2.gz PRLAQTWHTXNYFP-JLTOFOAXSA-N 1 2 408.930 2.242 20 0 HEADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1ncc(Cl)cc1Cl)CC2 ZINC001164702944 719929312 /nfs/dbraw/zinc/92/93/12/719929312.db2.gz IAZLZOJGLZRFRL-UHFFFAOYSA-N 1 2 409.321 2.072 20 0 HEADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3ncccc3OCc3ccccc3)C2)C1 ZINC001164722003 720283790 /nfs/dbraw/zinc/28/37/90/720283790.db2.gz OFFPPPRUTLSJDR-XMMPIXPASA-N 1 2 424.545 2.325 20 0 HEADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3ncccc3OCc3ccccc3)C2)C1 ZINC001164722003 720283793 /nfs/dbraw/zinc/28/37/93/720283793.db2.gz OFFPPPRUTLSJDR-XMMPIXPASA-N 1 2 424.545 2.325 20 0 HEADLO COc1cccc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)n1 ZINC001164826632 720363301 /nfs/dbraw/zinc/36/33/01/720363301.db2.gz XXJRSWLQFXQBGS-UHFFFAOYSA-N 1 2 401.536 2.168 20 0 HEADLO COc1cccc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)n1 ZINC001164826632 720363312 /nfs/dbraw/zinc/36/33/12/720363312.db2.gz XXJRSWLQFXQBGS-UHFFFAOYSA-N 1 2 401.536 2.168 20 0 HEADLO COCc1ccnc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)c1 ZINC001164823259 720364190 /nfs/dbraw/zinc/36/41/90/720364190.db2.gz CWQBIMUWDBZXJY-UHFFFAOYSA-N 1 2 415.563 2.306 20 0 HEADLO COCc1ccnc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)c1 ZINC001164823259 720364198 /nfs/dbraw/zinc/36/41/98/720364198.db2.gz CWQBIMUWDBZXJY-UHFFFAOYSA-N 1 2 415.563 2.306 20 0 HEADLO Cc1cc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)ncc1Cl ZINC001164823427 720440295 /nfs/dbraw/zinc/44/02/95/720440295.db2.gz JRGHJSDZFMNIOX-INIZCTEOSA-N 1 2 405.930 2.230 20 0 HEADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1nccc3ccsc31)C2 ZINC001164827138 720443746 /nfs/dbraw/zinc/44/37/46/720443746.db2.gz ZHEFFNUGRZMZNY-KRWDZBQOSA-N 1 2 413.547 2.482 20 0 HEADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN([C@@H](F)c1ccnc(Cl)c1)C2 ZINC001164824693 720452150 /nfs/dbraw/zinc/45/21/50/720452150.db2.gz POJFIYWRWARJMC-OXQOHEQNSA-N 1 2 423.920 2.385 20 0 HEADLO COC(=O)c1ccc2c(c1)ncnc2N1CCCn2c(C[N@H+](C)C(C)C)nnc2C1 ZINC001165008963 721696563 /nfs/dbraw/zinc/69/65/63/721696563.db2.gz MLCYVCVOTJYAQJ-UHFFFAOYSA-N 1 2 409.494 2.258 20 0 HEADLO COC(=O)c1ccc2c(c1)ncnc2N1CCCn2c(C[N@@H+](C)C(C)C)nnc2C1 ZINC001165008963 721696565 /nfs/dbraw/zinc/69/65/65/721696565.db2.gz MLCYVCVOTJYAQJ-UHFFFAOYSA-N 1 2 409.494 2.258 20 0 HEADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1ccc(NC(=O)C(C)(C)C)nn1)C2 ZINC001165011772 721703088 /nfs/dbraw/zinc/70/30/88/721703088.db2.gz YLBHBMDBXUGHDQ-UHFFFAOYSA-N 1 2 400.531 2.303 20 0 HEADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1ccc(NC(=O)C(C)(C)C)nn1)C2 ZINC001165011772 721703091 /nfs/dbraw/zinc/70/30/91/721703091.db2.gz YLBHBMDBXUGHDQ-UHFFFAOYSA-N 1 2 400.531 2.303 20 0 HEADLO CCOC(=O)Cc1c(Cl)ncnc1N1CCCn2c(C[N@H+](C)C(C)C)nnc2C1 ZINC001165010333 721704765 /nfs/dbraw/zinc/70/47/65/721704765.db2.gz HIXGSPIAZOOHMV-UHFFFAOYSA-N 1 2 421.933 2.078 20 0 HEADLO CCOC(=O)Cc1c(Cl)ncnc1N1CCCn2c(C[N@@H+](C)C(C)C)nnc2C1 ZINC001165010333 721704772 /nfs/dbraw/zinc/70/47/72/721704772.db2.gz HIXGSPIAZOOHMV-UHFFFAOYSA-N 1 2 421.933 2.078 20 0 HEADLO COC(=O)c1cc2ccncc2nc1N1CCCn2c(C[N@H+](C)C(C)C)nnc2C1 ZINC001165010215 721706077 /nfs/dbraw/zinc/70/60/77/721706077.db2.gz FQRURNGRLDCMFX-UHFFFAOYSA-N 1 2 409.494 2.258 20 0 HEADLO COC(=O)c1cc2ccncc2nc1N1CCCn2c(C[N@@H+](C)C(C)C)nnc2C1 ZINC001165010215 721706080 /nfs/dbraw/zinc/70/60/80/721706080.db2.gz FQRURNGRLDCMFX-UHFFFAOYSA-N 1 2 409.494 2.258 20 0 HEADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1ncc(C(=O)N(C)C)cc1Cl)C2 ZINC001165009734 721715331 /nfs/dbraw/zinc/71/53/31/721715331.db2.gz VPSSMTBDKLMLBT-UHFFFAOYSA-N 1 2 405.934 2.279 20 0 HEADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1ncc(C(=O)N(C)C)cc1Cl)C2 ZINC001165009734 721715334 /nfs/dbraw/zinc/71/53/34/721715334.db2.gz VPSSMTBDKLMLBT-UHFFFAOYSA-N 1 2 405.934 2.279 20 0 HEADLO Clc1nc2ccoc2c(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164912731 721772637 /nfs/dbraw/zinc/77/26/37/721772637.db2.gz OYBBLCALYWTWHK-HXUWFJFHSA-N 1 2 415.881 2.379 20 0 HEADLO Clc1nc2ccoc2c(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164912731 721772639 /nfs/dbraw/zinc/77/26/39/721772639.db2.gz OYBBLCALYWTWHK-HXUWFJFHSA-N 1 2 415.881 2.379 20 0 HEADLO COc1ccc2cnc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)nc2c1 ZINC001164913357 721777331 /nfs/dbraw/zinc/77/73/31/721777331.db2.gz XHUBWUIUNJNFCB-QHCPKHFHSA-N 1 2 421.501 2.141 20 0 HEADLO COc1ccc2cnc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)nc2c1 ZINC001164913357 721777337 /nfs/dbraw/zinc/77/73/37/721777337.db2.gz XHUBWUIUNJNFCB-QHCPKHFHSA-N 1 2 421.501 2.141 20 0 HEADLO Clc1cnc(Cl)c(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164916630 721780538 /nfs/dbraw/zinc/78/05/38/721780538.db2.gz RFKIPTOJFHWIEJ-SFHVURJKSA-N 1 2 410.305 2.286 20 0 HEADLO Clc1cnc(Cl)c(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164916630 721780545 /nfs/dbraw/zinc/78/05/45/721780545.db2.gz RFKIPTOJFHWIEJ-SFHVURJKSA-N 1 2 410.305 2.286 20 0 HEADLO Clc1nnc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c2occc21 ZINC001164914502 721789206 /nfs/dbraw/zinc/78/92/06/721789206.db2.gz DPVDYWVSOSVFQN-FQEVSTJZSA-N 1 2 415.881 2.379 20 0 HEADLO Clc1nnc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c2occc21 ZINC001164914502 721789211 /nfs/dbraw/zinc/78/92/11/721789211.db2.gz DPVDYWVSOSVFQN-FQEVSTJZSA-N 1 2 415.881 2.379 20 0 HEADLO C[C@@H]1CCc2nnc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)cc2C1 ZINC001164913973 721799107 /nfs/dbraw/zinc/79/91/07/721799107.db2.gz JIGSZKJHOBADPC-JPYJTQIMSA-N 1 2 409.534 2.104 20 0 HEADLO C[C@@H]1CCc2nnc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)cc2C1 ZINC001164913973 721799109 /nfs/dbraw/zinc/79/91/09/721799109.db2.gz JIGSZKJHOBADPC-JPYJTQIMSA-N 1 2 409.534 2.104 20 0 HEADLO COc1cc(C)c[nH+]c1N1CCO[C@]2(C1)COCCN(Cc1csc(C)n1)C2 ZINC001164920588 721830715 /nfs/dbraw/zinc/83/07/15/721830715.db2.gz FPGPYUMUQAMWRK-HXUWFJFHSA-N 1 2 404.536 2.271 20 0 HEADLO CCOC(=O)c1cnc(C(F)(F)N2CC[NH+](C[C@@H]3CCCO3)CC2)nc1Cl ZINC001165039378 721901519 /nfs/dbraw/zinc/90/15/19/721901519.db2.gz WELFGDFESAYGPA-LBPRGKRZSA-N 1 2 404.845 2.153 20 0 HEADLO Cc1noc(C)c1CN1CCO[C@@H]2CN(c3cc(N4CCC[C@@H](C)C4)[nH+]cn3)C[C@H]21 ZINC001164944427 721960335 /nfs/dbraw/zinc/96/03/35/721960335.db2.gz KAKFZVYBHRCPHP-CDHQVMDDSA-N 1 2 412.538 2.407 20 0 HEADLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1cc(-c3ncc[nH]3)ccn1)CC2 ZINC001164948470 721976730 /nfs/dbraw/zinc/97/67/30/721976730.db2.gz ZQSHDVYOCXOVLX-UHFFFAOYSA-N 1 2 402.502 2.443 20 0 HEADLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1cc(-c3ncc[nH]3)ccn1)CC2 ZINC001164948470 721976732 /nfs/dbraw/zinc/97/67/32/721976732.db2.gz ZQSHDVYOCXOVLX-UHFFFAOYSA-N 1 2 402.502 2.443 20 0 HEADLO C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCC(CCN(C)C(=O)OC(C)(C)C)CC1 ZINC000769704572 1078528528 /nfs/dbraw/zinc/52/85/28/1078528528.db2.gz CTSBEOGMLBNAQL-QGZVFWFLSA-N 1 2 412.575 2.386 20 0 HEADLO COc1ccc(C2N=NC(=S)N2CC(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)cc1 ZINC000769752523 1078539123 /nfs/dbraw/zinc/53/91/23/1078539123.db2.gz QMWNHFAPNADEEI-OAHLLOKOSA-N 1 2 412.519 2.382 20 0 HEADLO COc1ccc(C2N=NC(=S)N2CC(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)cc1 ZINC000769752519 1078539318 /nfs/dbraw/zinc/53/93/18/1078539318.db2.gz QMWNHFAPNADEEI-HNNXBMFYSA-N 1 2 412.519 2.382 20 0 HEADLO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](Cc2nnnn2CC2CCOCC2)C1 ZINC000769752569 1078540340 /nfs/dbraw/zinc/54/03/40/1078540340.db2.gz AVLYOHIWTKWTRD-DOTOQJQBSA-N 1 2 408.547 2.225 20 0 HEADLO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+](Cc2nnnn2CC2CCOCC2)C1 ZINC000769752569 1078540355 /nfs/dbraw/zinc/54/03/55/1078540355.db2.gz AVLYOHIWTKWTRD-DOTOQJQBSA-N 1 2 408.547 2.225 20 0 HEADLO C[C@@H](NC(=O)c1cc(NC(=O)OCC(F)(F)F)ccc1O)[C@@H](C)[NH+]1CCOCC1 ZINC000769776698 1078552356 /nfs/dbraw/zinc/55/23/56/1078552356.db2.gz FAJWXSSPRDPTBE-VXGBXAGGSA-N 1 2 419.400 2.342 20 0 HEADLO CC(C)(C)OC(=O)N1CC(N2CC[NH+]([C@@H]3CCCN(c4ccccc4)C3=O)CC2)C1 ZINC000769785301 1078564422 /nfs/dbraw/zinc/56/44/22/1078564422.db2.gz AAVMWOFSEIFEEJ-HXUWFJFHSA-N 1 2 414.550 2.419 20 0 HEADLO CC(C)[C@H](Oc1cccc(Cl)c1)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000769801744 1078570249 /nfs/dbraw/zinc/57/02/49/1078570249.db2.gz MNFIMGDCRYPDCB-SFHVURJKSA-N 1 2 416.971 2.369 20 0 HEADLO O=C(C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@]13C[C@H]1CCC3)C2)NC(=O)NC1CCCCC1 ZINC001109542009 1078585982 /nfs/dbraw/zinc/58/59/82/1078585982.db2.gz ZHPBGYIRQXLBFM-PZXYBZBISA-N 1 2 402.539 2.057 20 0 HEADLO O=C(C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@]13C[C@H]1CCC3)C2)NC(=O)NC1CCCCC1 ZINC001109542009 1078585992 /nfs/dbraw/zinc/58/59/92/1078585992.db2.gz ZHPBGYIRQXLBFM-PZXYBZBISA-N 1 2 402.539 2.057 20 0 HEADLO CN(Cc1ccccc1)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1OC[C@@H]3CCC[C@@H]31)C2 ZINC001109536027 1078593119 /nfs/dbraw/zinc/59/31/19/1078593119.db2.gz TWVLOBHXAUQGHN-IKHCIZMXSA-N 1 2 411.546 2.182 20 0 HEADLO CN(Cc1ccccc1)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1OC[C@@H]3CCC[C@@H]31)C2 ZINC001109536027 1078593127 /nfs/dbraw/zinc/59/31/27/1078593127.db2.gz TWVLOBHXAUQGHN-IKHCIZMXSA-N 1 2 411.546 2.182 20 0 HEADLO CC(C)NC(=O)c1ccccc1NC(=O)C[N@@H+]1CCC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000769898752 1078622395 /nfs/dbraw/zinc/62/23/95/1078622395.db2.gz LYRZCXAYIFRRCE-CXAGYDPISA-N 1 2 401.429 2.399 20 0 HEADLO CC(C)NC(=O)c1ccccc1NC(=O)C[N@H+]1CCC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000769898752 1078622398 /nfs/dbraw/zinc/62/23/98/1078622398.db2.gz LYRZCXAYIFRRCE-CXAGYDPISA-N 1 2 401.429 2.399 20 0 HEADLO Cc1ccc([C@H](C)[C@@H](O)C(=O)OCC(=O)N2CC[NH+](Cc3ccsc3)CC2)cc1 ZINC000745754419 1078625660 /nfs/dbraw/zinc/62/56/60/1078625660.db2.gz FJVFDDVIHIWGRP-LAUBAEHRSA-N 1 2 416.543 2.409 20 0 HEADLO CC(C)(C)OC(=O)N1CCC[C@H](CNC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)C1 ZINC000745797626 1078651552 /nfs/dbraw/zinc/65/15/52/1078651552.db2.gz NUAGRXUUEURNPN-QZTJIDSGSA-N 1 2 410.559 2.140 20 0 HEADLO C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)NCc1n[nH]c(-c2ccccc2)n1 ZINC000745836086 1078660278 /nfs/dbraw/zinc/66/02/78/1078660278.db2.gz CPNHHOCZKSVPKX-SFHVURJKSA-N 1 2 419.533 2.482 20 0 HEADLO C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)NCc1nc(-c2ccccc2)n[nH]1 ZINC000745836086 1078660280 /nfs/dbraw/zinc/66/02/80/1078660280.db2.gz CPNHHOCZKSVPKX-SFHVURJKSA-N 1 2 419.533 2.482 20 0 HEADLO CN(C)c1ccc([NH+]2CCC(NC(=O)N[C@@H]3CCC[C@@H](S(C)(=O)=O)C3)CC2)cc1 ZINC000745836091 1078660847 /nfs/dbraw/zinc/66/08/47/1078660847.db2.gz BZWDHWYDRMDEOZ-YLJYHZDGSA-N 1 2 422.595 2.376 20 0 HEADLO CCOC(=O)N1CCN(C(=O)[C@@H](C)N2CC[NH+]([C@@H](C)c3cccc(F)c3)CC2)CC1 ZINC000769927997 1078662206 /nfs/dbraw/zinc/66/22/06/1078662206.db2.gz HSDMCMSPZWTOOT-ZWKOTPCHSA-N 1 2 420.529 2.194 20 0 HEADLO CCOC(=O)N1CCN(C(=O)[C@@H](C)[NH+]2CCN([C@@H](C)c3cccc(F)c3)CC2)CC1 ZINC000769927997 1078662208 /nfs/dbraw/zinc/66/22/08/1078662208.db2.gz HSDMCMSPZWTOOT-ZWKOTPCHSA-N 1 2 420.529 2.194 20 0 HEADLO CC[C@H](c1ccncc1)[N@H+](C)CC(=O)NN1C(=O)N[C@@](CC)(c2ccccc2)C1=O ZINC000769935885 1078664372 /nfs/dbraw/zinc/66/43/72/1078664372.db2.gz DDRGNLSKWDZLCG-GCJKJVERSA-N 1 2 409.490 2.353 20 0 HEADLO CC[C@H](c1ccncc1)[N@@H+](C)CC(=O)NN1C(=O)N[C@@](CC)(c2ccccc2)C1=O ZINC000769935885 1078664375 /nfs/dbraw/zinc/66/43/75/1078664375.db2.gz DDRGNLSKWDZLCG-GCJKJVERSA-N 1 2 409.490 2.353 20 0 HEADLO Cc1cc(NC(=O)CN2C(=O)N[C@@](C)(c3ccc(F)c(Cl)c3)C2=O)c(C)c[nH+]1 ZINC000770008727 1078684082 /nfs/dbraw/zinc/68/40/82/1078684082.db2.gz CSKLUGNLSGIOCR-IBGZPJMESA-N 1 2 404.829 2.319 20 0 HEADLO C[N@H+](CC(=O)Nc1ccccc1SCC(N)=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000745944215 1078708506 /nfs/dbraw/zinc/70/85/06/1078708506.db2.gz KGHUTZBHGZKKLU-CQSZACIVSA-N 1 2 422.551 2.144 20 0 HEADLO C[N@@H+](CC(=O)Nc1ccccc1SCC(N)=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000745944215 1078708514 /nfs/dbraw/zinc/70/85/14/1078708514.db2.gz KGHUTZBHGZKKLU-CQSZACIVSA-N 1 2 422.551 2.144 20 0 HEADLO CC(C)(C)OC(=O)N1CC(CC(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000746014822 1078734118 /nfs/dbraw/zinc/73/41/18/1078734118.db2.gz KLWFFJXIZITSBS-UHFFFAOYSA-N 1 2 403.523 2.392 20 0 HEADLO COCC[N@H+](CCc1ccccc1)CN1C(=O)C(=O)N(Cc2cccs2)C1=O ZINC000746051243 1078745547 /nfs/dbraw/zinc/74/55/47/1078745547.db2.gz IEVMFPRNSRCQKF-UHFFFAOYSA-N 1 2 401.488 2.188 20 0 HEADLO COCC[N@@H+](CCc1ccccc1)CN1C(=O)C(=O)N(Cc2cccs2)C1=O ZINC000746051243 1078745552 /nfs/dbraw/zinc/74/55/52/1078745552.db2.gz IEVMFPRNSRCQKF-UHFFFAOYSA-N 1 2 401.488 2.188 20 0 HEADLO CC(C)(C)OC(=O)NC(C)(C)CNC(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000746042413 1078749681 /nfs/dbraw/zinc/74/96/81/1078749681.db2.gz MGNKQJAWXVBRQJ-UHFFFAOYSA-N 1 2 401.467 2.230 20 0 HEADLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)CC[S@](=O)c1ccc2c(c1)OCCO2 ZINC000746158220 1078809328 /nfs/dbraw/zinc/80/93/28/1078809328.db2.gz CHWRTIYXIQIEQR-WRHNGFHOSA-N 1 2 405.520 2.383 20 0 HEADLO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[N@@H+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000770376735 1078833528 /nfs/dbraw/zinc/83/35/28/1078833528.db2.gz XHOXPCZFDUWEOQ-ARFHVFGLSA-N 1 2 401.960 2.453 20 0 HEADLO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[N@H+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000770376735 1078833533 /nfs/dbraw/zinc/83/35/33/1078833533.db2.gz XHOXPCZFDUWEOQ-ARFHVFGLSA-N 1 2 401.960 2.453 20 0 HEADLO CCC(CC)[C@@H](C(=O)NCC1CCN(C(=O)C(F)(F)F)CC1)[NH+]1CCOCC1 ZINC000746308992 1078849293 /nfs/dbraw/zinc/84/92/93/1078849293.db2.gz DNHQBCBSBILELP-INIZCTEOSA-N 1 2 407.477 2.041 20 0 HEADLO O=C(C1CC[NH+](CN2C(=O)C[C@@]3(CCSC3)C2=O)CC1)N1CCc2ccccc21 ZINC000746506229 1078849716 /nfs/dbraw/zinc/84/97/16/1078849716.db2.gz PTHUWGZAOVKCJN-JOCHJYFZSA-N 1 2 413.543 2.127 20 0 HEADLO O=C(NCC1CCN(C(=O)C(F)(F)F)CC1)c1ccccc1C[NH+]1CCOCC1 ZINC000746310002 1078850016 /nfs/dbraw/zinc/85/00/16/1078850016.db2.gz RZJCAOPGIBFANI-UHFFFAOYSA-N 1 2 413.440 2.050 20 0 HEADLO CC[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)[C@H](CC)CN1C(=O)OCc1ccccc1 ZINC000746291380 1078851707 /nfs/dbraw/zinc/85/17/07/1078851707.db2.gz HUROTMPRBINDGI-AQNXPRMDSA-N 1 2 403.523 2.355 20 0 HEADLO CC[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)[C@H](CC)CN1C(=O)OCc1ccccc1 ZINC000746291380 1078851711 /nfs/dbraw/zinc/85/17/11/1078851711.db2.gz HUROTMPRBINDGI-AQNXPRMDSA-N 1 2 403.523 2.355 20 0 HEADLO CC[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)[C@H](CC)CN1C(=O)OCc1ccccc1 ZINC000746291383 1078851743 /nfs/dbraw/zinc/85/17/43/1078851743.db2.gz HUROTMPRBINDGI-VAMGGRTRSA-N 1 2 403.523 2.355 20 0 HEADLO CC[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)[C@H](CC)CN1C(=O)OCc1ccccc1 ZINC000746291383 1078851744 /nfs/dbraw/zinc/85/17/44/1078851744.db2.gz HUROTMPRBINDGI-VAMGGRTRSA-N 1 2 403.523 2.355 20 0 HEADLO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2nc3c(c(=O)[nH]2)COCC3)cc1 ZINC001168776522 1078854242 /nfs/dbraw/zinc/85/42/42/1078854242.db2.gz UQLKZEFOCCWOCD-AWEZNQCLSA-N 1 2 420.535 2.136 20 0 HEADLO C[N@H+](CC(F)F)C1CCN(C(=O)Cc2ccc(S(=O)(=O)C(F)F)cc2)CC1 ZINC000746323287 1078858805 /nfs/dbraw/zinc/85/88/05/1078858805.db2.gz QJALICARMKCSGB-UHFFFAOYSA-N 1 2 410.433 2.413 20 0 HEADLO C[N@@H+](CC(F)F)C1CCN(C(=O)Cc2ccc(S(=O)(=O)C(F)F)cc2)CC1 ZINC000746323287 1078858810 /nfs/dbraw/zinc/85/88/10/1078858810.db2.gz QJALICARMKCSGB-UHFFFAOYSA-N 1 2 410.433 2.413 20 0 HEADLO Cc1ccc(S(=O)(=O)N(C)CC(=O)N2CCC([N@H+](C)CC(F)F)CC2)cc1C ZINC000746324077 1078858814 /nfs/dbraw/zinc/85/88/14/1078858814.db2.gz WNJIPFQLQOKELM-UHFFFAOYSA-N 1 2 417.522 2.112 20 0 HEADLO Cc1ccc(S(=O)(=O)N(C)CC(=O)N2CCC([N@@H+](C)CC(F)F)CC2)cc1C ZINC000746324077 1078858820 /nfs/dbraw/zinc/85/88/20/1078858820.db2.gz WNJIPFQLQOKELM-UHFFFAOYSA-N 1 2 417.522 2.112 20 0 HEADLO Cc1nc(CNC(=O)[C@H](C)[NH+]2CCN(c3ccc(F)cc3)CC2)ccc1[C@@H](C)O ZINC000770453568 1078860581 /nfs/dbraw/zinc/86/05/81/1078860581.db2.gz YLHUIARSBFAXOI-DLBZAZTESA-N 1 2 400.498 2.409 20 0 HEADLO C[C@H]1C[N@H+](CCNC(=O)NCc2cnn(-c3ccc(Br)cc3)c2)CCO1 ZINC000770474707 1078874192 /nfs/dbraw/zinc/87/41/92/1078874192.db2.gz MORHRJJZJVOSFB-AWEZNQCLSA-N 1 2 422.327 2.155 20 0 HEADLO C[C@H]1C[N@@H+](CCNC(=O)NCc2cnn(-c3ccc(Br)cc3)c2)CCO1 ZINC000770474707 1078874195 /nfs/dbraw/zinc/87/41/95/1078874195.db2.gz MORHRJJZJVOSFB-AWEZNQCLSA-N 1 2 422.327 2.155 20 0 HEADLO O=C(c1cccnc1I)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000770489245 1078878493 /nfs/dbraw/zinc/87/84/93/1078878493.db2.gz QWWJMOQQSRHLGL-CYBMUJFWSA-N 1 2 415.275 2.013 20 0 HEADLO COc1ccc([C@@H]2CCC[N@@H+]2CN2C(=O)C[C@@H](Cc3cnn(C)c3)C2=O)c(OC)c1 ZINC000746373846 1078880569 /nfs/dbraw/zinc/88/05/69/1078880569.db2.gz BZMUVGAPQHWJTN-APWZRJJASA-N 1 2 412.490 2.150 20 0 HEADLO COc1ccc([C@@H]2CCC[N@H+]2CN2C(=O)C[C@@H](Cc3cnn(C)c3)C2=O)c(OC)c1 ZINC000746373846 1078880570 /nfs/dbraw/zinc/88/05/70/1078880570.db2.gz BZMUVGAPQHWJTN-APWZRJJASA-N 1 2 412.490 2.150 20 0 HEADLO COC(=O)CN(CC[NH+]1CCOCC1)Cn1nc(-c2ccc(C)cc2C)oc1=S ZINC000746379124 1078884125 /nfs/dbraw/zinc/88/41/25/1078884125.db2.gz ACEICOFJIIBUIQ-UHFFFAOYSA-N 1 2 420.535 2.254 20 0 HEADLO CNC(=O)CC1CC[NH+](CN2C(=O)N[C@@](C)(c3ccc4ccccc4c3)C2=O)CC1 ZINC000746384764 1078888342 /nfs/dbraw/zinc/88/83/42/1078888342.db2.gz RGWNNKIOHYETRN-QHCPKHFHSA-N 1 2 408.502 2.412 20 0 HEADLO CC[C@]1(c2ccc(Cl)cc2)NC(=O)N(C[NH+]2CCC(CC(=O)NC)CC2)C1=O ZINC000746384391 1078888778 /nfs/dbraw/zinc/88/87/78/1078888778.db2.gz KUXLOBCBENJGCS-HXUWFJFHSA-N 1 2 406.914 2.303 20 0 HEADLO CCOC1CC(CNC(=O)Nc2ccc(-c3nnc(C)o3)cc2)([NH+]2CCOCC2)C1 ZINC000770542852 1078891310 /nfs/dbraw/zinc/89/13/10/1078891310.db2.gz BUEQDCAKSXBIDG-UHFFFAOYSA-N 1 2 415.494 2.436 20 0 HEADLO O=C(OCc1ccccc1)N1CC[C@@H](C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)C1 ZINC000770568211 1078893294 /nfs/dbraw/zinc/89/32/94/1078893294.db2.gz KLOBANSVLRCUJM-NHCUHLMSSA-N 1 2 415.534 2.358 20 0 HEADLO O=C(COC(=O)c1ccc(-c2nc[nH]n2)cc1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000770567970 1078893377 /nfs/dbraw/zinc/89/33/77/1078893377.db2.gz XTSYWWNMCSKHIN-UHFFFAOYSA-N 1 2 411.487 2.034 20 0 HEADLO CNC(=O)CC1CCN(C(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)CC1 ZINC000746421009 1078916621 /nfs/dbraw/zinc/91/66/21/1078916621.db2.gz HHZCOOPBXGLPIO-UHFFFAOYSA-N 1 2 401.555 2.279 20 0 HEADLO CCOC(=O)C1=C(C[N@@H+]2CCSC3(CCOCC3)C2)NC(=O)N[C@@H]1c1ccco1 ZINC000770684602 1078934587 /nfs/dbraw/zinc/93/45/87/1078934587.db2.gz HVJLYIFXIHPEGX-QGZVFWFLSA-N 1 2 421.519 2.049 20 0 HEADLO CCOC(=O)C1=C(C[N@H+]2CCSC3(CCOCC3)C2)NC(=O)N[C@@H]1c1ccco1 ZINC000770684602 1078934599 /nfs/dbraw/zinc/93/45/99/1078934599.db2.gz HVJLYIFXIHPEGX-QGZVFWFLSA-N 1 2 421.519 2.049 20 0 HEADLO COC(=O)c1cc(S(=O)(=O)N2CC[N@H+](C)[C@H](C)[C@H]2C)c(F)cc1Br ZINC000770716674 1078945705 /nfs/dbraw/zinc/94/57/05/1078945705.db2.gz KSKOPVSVBNNTJS-NXEZZACHSA-N 1 2 423.304 2.088 20 0 HEADLO COC(=O)c1cc(S(=O)(=O)N2CC[N@@H+](C)[C@H](C)[C@H]2C)c(F)cc1Br ZINC000770716674 1078945709 /nfs/dbraw/zinc/94/57/09/1078945709.db2.gz KSKOPVSVBNNTJS-NXEZZACHSA-N 1 2 423.304 2.088 20 0 HEADLO COc1cccc(OCC[NH+]2CCN(C(=O)c3ccnc(-n4ccnc4)c3)CC2)c1 ZINC000766409733 1078956613 /nfs/dbraw/zinc/95/66/13/1078956613.db2.gz XEAVGNAYCUQJTO-UHFFFAOYSA-N 1 2 407.474 2.113 20 0 HEADLO C[C@@H](C(=O)Nc1ccc(N2CCOCC2)cc1)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000746458597 1079000048 /nfs/dbraw/zinc/00/00/48/1079000048.db2.gz QTWOQYPTGQRCQU-IBGZPJMESA-N 1 2 424.545 2.374 20 0 HEADLO C[C@H]1C[C@@H]([N@@H+]2CCCn3nnc(Cn4ccnc4)c3C2)CN1C(=O)OC(C)(C)C ZINC001168852334 1079052341 /nfs/dbraw/zinc/05/23/41/1079052341.db2.gz BNXFYYWZIJLHRH-JKSUJKDBSA-N 1 2 401.515 2.127 20 0 HEADLO C[C@H]1C[C@@H]([N@H+]2CCCn3nnc(Cn4ccnc4)c3C2)CN1C(=O)OC(C)(C)C ZINC001168852334 1079052344 /nfs/dbraw/zinc/05/23/44/1079052344.db2.gz BNXFYYWZIJLHRH-JKSUJKDBSA-N 1 2 401.515 2.127 20 0 HEADLO COc1ccc(CN2CC[C@H]([NH2+]Cc3nn(C)cc3Br)CC2=O)cc1 ZINC001168894162 1079063520 /nfs/dbraw/zinc/06/35/20/1079063520.db2.gz CFVRHBTWNGSDDO-AWEZNQCLSA-N 1 2 407.312 2.472 20 0 HEADLO CCOC1CC(CNC(=S)N[C@H]2CCOc3ccccc32)([NH+]2CCOCC2)C1 ZINC000766523299 1079067860 /nfs/dbraw/zinc/06/78/60/1079067860.db2.gz WQWUSWVHFQJYHQ-JGCRXCKMSA-N 1 2 405.564 2.244 20 0 HEADLO O=C(OCc1cccc2[nH+]ccn21)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 ZINC000770922948 1079082106 /nfs/dbraw/zinc/08/21/06/1079082106.db2.gz UZQNNMYNYDDEOM-QGZVFWFLSA-N 1 2 415.471 2.149 20 0 HEADLO Cn1cc(S(=O)(=O)N2CCCCC2)cc1C(=O)OCc1cccc2[nH+]ccn21 ZINC000770923843 1079082691 /nfs/dbraw/zinc/08/26/91/1079082691.db2.gz CWUJTQPCKGTSRG-UHFFFAOYSA-N 1 2 402.476 2.204 20 0 HEADLO O=C(Cn1cnc2sc(-c3ccccc3)cc2c1=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000771029802 1079109318 /nfs/dbraw/zinc/10/93/18/1079109318.db2.gz BJORNSXXJIWHFL-QGZVFWFLSA-N 1 2 424.526 2.058 20 0 HEADLO NC(=O)C1CCN(c2cc(NC3CCN(c4ncccc4Cl)CC3)[nH+]cn2)CC1 ZINC001169166491 1079174744 /nfs/dbraw/zinc/17/47/44/1079174744.db2.gz VQJZEFMGWMGOHM-UHFFFAOYSA-N 1 2 415.929 2.308 20 0 HEADLO NC(=O)C1CCN(c2cc(NC3CCN(c4ncccc4Cl)CC3)nc[nH+]2)CC1 ZINC001169166491 1079174746 /nfs/dbraw/zinc/17/47/46/1079174746.db2.gz VQJZEFMGWMGOHM-UHFFFAOYSA-N 1 2 415.929 2.308 20 0 HEADLO O=C(Nc1c[nH]nc1[C@@H]1CCC[N@H+](C[C@@H]2CCCS2(=O)=O)C1)c1ccccc1 ZINC001169187953 1079177674 /nfs/dbraw/zinc/17/76/74/1079177674.db2.gz NRXRUXFHMOLGSQ-SJORKVTESA-N 1 2 402.520 2.419 20 0 HEADLO O=C(Nc1c[nH]nc1[C@@H]1CCC[N@@H+](C[C@@H]2CCCS2(=O)=O)C1)c1ccccc1 ZINC001169187953 1079177675 /nfs/dbraw/zinc/17/76/75/1079177675.db2.gz NRXRUXFHMOLGSQ-SJORKVTESA-N 1 2 402.520 2.419 20 0 HEADLO CCOC(=O)[C@@H]1CC[C@H]([N@@H+]2CCc3ncn(C)c3[C@@H]2COCc2cccnc2)CO1 ZINC001169399709 1079273236 /nfs/dbraw/zinc/27/32/36/1079273236.db2.gz WJYRYYHEZPJINQ-IHPCNDPISA-N 1 2 414.506 2.042 20 0 HEADLO CCOC(=O)[C@@H]1CC[C@H]([N@H+]2CCc3ncn(C)c3[C@@H]2COCc2cccnc2)CO1 ZINC001169399709 1079273241 /nfs/dbraw/zinc/27/32/41/1079273241.db2.gz WJYRYYHEZPJINQ-IHPCNDPISA-N 1 2 414.506 2.042 20 0 HEADLO COc1ccc(OC)c([C@@H](O)CNC(=O)CNc2ccc(F)c(-n3cc[nH+]c3)c2)c1 ZINC001169440934 1079291466 /nfs/dbraw/zinc/29/14/66/1079291466.db2.gz DKXOUKWZSCTMFO-IBGZPJMESA-N 1 2 414.437 2.290 20 0 HEADLO COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)Nc2cccc3[nH+]ccn32)C1=O ZINC000771378963 1079292474 /nfs/dbraw/zinc/29/24/74/1079292474.db2.gz NDJCQFFTBDRGML-OAQYLSRUSA-N 1 2 407.430 2.057 20 0 HEADLO CS(=O)(=O)c1cncc(N[C@H]2C[C@H](C(=O)OCc3ccccc3)CCC[NH2+]2)c1 ZINC001169525416 1079323377 /nfs/dbraw/zinc/32/33/77/1079323377.db2.gz YPWSXWOLHLCPID-APWZRJJASA-N 1 2 403.504 2.356 20 0 HEADLO O=C(N[C@H]1CCc2c[nH+]cn2C1)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 ZINC000804332404 1079349750 /nfs/dbraw/zinc/34/97/50/1079349750.db2.gz KAOGDLSHGVTONY-HNNXBMFYSA-N 1 2 422.938 2.456 20 0 HEADLO C[C@@H](C(=O)Nc1sccc1C(N)=O)[NH+]1CCC2(C[C@@H]2C(=O)N2CCCCC2)CC1 ZINC000771466707 1079362685 /nfs/dbraw/zinc/36/26/85/1079362685.db2.gz HHAUYKTUEWCRDO-GOEBONIOSA-N 1 2 418.563 2.289 20 0 HEADLO CCOC(=O)N1CCC[C@H]([NH+]2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)CC1 ZINC001169683688 1079366339 /nfs/dbraw/zinc/36/63/39/1079366339.db2.gz YUYWCZBEHPYOTJ-KRWDZBQOSA-N 1 2 413.515 2.143 20 0 HEADLO COc1ccc(C(=O)OCC(=O)N2CC[NH+](Cc3ccsc3)CC2)nc1Cl ZINC000766780433 1079363311 /nfs/dbraw/zinc/36/33/11/1079363311.db2.gz YERXVDYCRPWLSM-UHFFFAOYSA-N 1 2 409.895 2.306 20 0 HEADLO CCOC(=O)C[C@H](Nc1ccc(OCC[NH+]2CCOCC2)nc1)c1cccnc1 ZINC001169683175 1079366469 /nfs/dbraw/zinc/36/64/69/1079366469.db2.gz IWAZDGGQADYROL-IBGZPJMESA-N 1 2 400.479 2.294 20 0 HEADLO CC(C)(C)OC(=O)N1CC[C@H]([C@@H](F)C(=O)N2CC[NH+](CCc3ccncc3)CC2)C1 ZINC001169679237 1079365325 /nfs/dbraw/zinc/36/53/25/1079365325.db2.gz PSFWQGJPUMKTRA-RBUKOAKNSA-N 1 2 420.529 2.363 20 0 HEADLO CCOC(=O)N1CCC[C@@H]([NH+]2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)CC1 ZINC001169690715 1079370969 /nfs/dbraw/zinc/37/09/69/1079370969.db2.gz AUJJALJJYXNYCH-GOSISDBHSA-N 1 2 409.552 2.312 20 0 HEADLO O=C(Cc1cccs1)Nc1nc(CC(=O)N[C@@H]2CCc3c[nH+]cn3C2)cs1 ZINC000804334429 1079377483 /nfs/dbraw/zinc/37/74/83/1079377483.db2.gz GMUIWXJIZCTHMU-GFCCVEGCSA-N 1 2 401.517 2.256 20 0 HEADLO CC(C)(C)NS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H]2CCc3c[nH+]cn3C2)c1 ZINC000804336141 1079380626 /nfs/dbraw/zinc/38/06/26/1079380626.db2.gz KPRGRDHSSLHMSF-LBPRGKRZSA-N 1 2 410.927 2.358 20 0 HEADLO CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000771629111 1079413597 /nfs/dbraw/zinc/41/35/97/1079413597.db2.gz VQSNQPZPZOQHGA-INIZCTEOSA-N 1 2 420.441 2.084 20 0 HEADLO COc1ccc([C@H](CNC(=O)NCCS(=O)(=O)CC2CC2)[NH+]2CCCCC2)cc1 ZINC000766838196 1079426796 /nfs/dbraw/zinc/42/67/96/1079426796.db2.gz NKUBZWJJDVORDQ-FQEVSTJZSA-N 1 2 423.579 2.346 20 0 HEADLO CCC[C@@H]1CN(S(=O)(=O)c2ccc(F)c(C(=O)OCC)c2)CC[N@@H+]1CCOC ZINC000766853762 1079441015 /nfs/dbraw/zinc/44/10/15/1079441015.db2.gz KSSTYGVHAZOEJP-OAHLLOKOSA-N 1 2 416.515 2.124 20 0 HEADLO CCC[C@@H]1CN(S(=O)(=O)c2ccc(F)c(C(=O)OCC)c2)CC[N@H+]1CCOC ZINC000766853762 1079441020 /nfs/dbraw/zinc/44/10/20/1079441020.db2.gz KSSTYGVHAZOEJP-OAHLLOKOSA-N 1 2 416.515 2.124 20 0 HEADLO CCC[C@H]1CN(S(=O)(=O)c2ccc3nc(Cl)cnc3c2)CC[N@@H+]1CCOC ZINC000766853912 1079441201 /nfs/dbraw/zinc/44/12/01/1079441201.db2.gz NPWAYHSKPZWXIE-AWEZNQCLSA-N 1 2 412.943 2.405 20 0 HEADLO CCC[C@H]1CN(S(=O)(=O)c2ccc3nc(Cl)cnc3c2)CC[N@H+]1CCOC ZINC000766853912 1079441209 /nfs/dbraw/zinc/44/12/09/1079441209.db2.gz NPWAYHSKPZWXIE-AWEZNQCLSA-N 1 2 412.943 2.405 20 0 HEADLO COC(=O)C(C)(C)[C@@H]1CCC[N@H+](CN2C(=O)C(=O)N([C@@H](C)c3ccccc3)C2=O)C1 ZINC000771632609 1079441575 /nfs/dbraw/zinc/44/15/75/1079441575.db2.gz RVBSPCIBVVEDJG-DOTOQJQBSA-N 1 2 415.490 2.407 20 0 HEADLO COC(=O)C(C)(C)[C@@H]1CCC[N@@H+](CN2C(=O)C(=O)N([C@@H](C)c3ccccc3)C2=O)C1 ZINC000771632609 1079441582 /nfs/dbraw/zinc/44/15/82/1079441582.db2.gz RVBSPCIBVVEDJG-DOTOQJQBSA-N 1 2 415.490 2.407 20 0 HEADLO CS(=O)(=O)C1CCC(N2Cc3c[nH+]cn3C[C@H](COc3cccnc3)C2)CC1 ZINC001169880497 1079454720 /nfs/dbraw/zinc/45/47/20/1079454720.db2.gz NBTXFHGNRIJAEL-ZRZPHAQCSA-N 1 2 404.536 2.145 20 0 HEADLO COC(=O)[C@@]1([NH2+]C2CCC(S(C)(=O)=O)CC2)CCCN(Cc2ccccc2)C1 ZINC001169860968 1079460731 /nfs/dbraw/zinc/46/07/31/1079460731.db2.gz GVVOCXIXYCUAPD-GZNCHQMQSA-N 1 2 408.564 2.140 20 0 HEADLO COC(=O)[C@H](Cc1ccccc1Br)[NH2+]C1CCC(S(C)(=O)=O)CC1 ZINC001169871363 1079464357 /nfs/dbraw/zinc/46/43/57/1079464357.db2.gz TYRIKULNGVPKJU-XUJLQICISA-N 1 2 418.353 2.479 20 0 HEADLO NS(=O)(=O)c1cc(C[N@@H+]2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)co1 ZINC001169906962 1079472858 /nfs/dbraw/zinc/47/28/58/1079472858.db2.gz AWHMCKLPJLVRCP-INIZCTEOSA-N 1 2 407.492 2.065 20 0 HEADLO NS(=O)(=O)c1cc(C[N@H+]2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)co1 ZINC001169906962 1079472864 /nfs/dbraw/zinc/47/28/64/1079472864.db2.gz AWHMCKLPJLVRCP-INIZCTEOSA-N 1 2 407.492 2.065 20 0 HEADLO O=C(NCCS(=O)(=O)NCc1ccc(-n2cc[nH+]c2)cc1)OCc1ccccc1 ZINC000771754738 1079486043 /nfs/dbraw/zinc/48/60/43/1079486043.db2.gz WUCSYDSOZLEAMB-UHFFFAOYSA-N 1 2 414.487 2.218 20 0 HEADLO O=C(/C=C\Sc1ccccc1)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000737750269 1075922513 /nfs/dbraw/zinc/92/25/13/1075922513.db2.gz CJPQGWPJXYNFTE-UUASQNMZSA-N 1 2 411.531 2.268 20 0 HEADLO O=C(/C=C\Sc1ccccc1)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000737750269 1075922520 /nfs/dbraw/zinc/92/25/20/1075922520.db2.gz CJPQGWPJXYNFTE-UUASQNMZSA-N 1 2 411.531 2.268 20 0 HEADLO C/C(=C/C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1)c1ccc(F)cc1 ZINC000737753255 1075922673 /nfs/dbraw/zinc/92/26/73/1075922673.db2.gz SYXFSVMKFGACLD-VKAVYKQESA-N 1 2 411.481 2.204 20 0 HEADLO C/C(=C/C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1)c1ccc(F)cc1 ZINC000737753255 1075922679 /nfs/dbraw/zinc/92/26/79/1075922679.db2.gz SYXFSVMKFGACLD-VKAVYKQESA-N 1 2 411.481 2.204 20 0 HEADLO C/C(=C/C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1)c1cccc(F)c1 ZINC000737753880 1075923115 /nfs/dbraw/zinc/92/31/15/1075923115.db2.gz WQHQGSNLVFSBCR-LGMDPLHJSA-N 1 2 411.481 2.204 20 0 HEADLO C/C(=C/C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1)c1cccc(F)c1 ZINC000737753880 1075923118 /nfs/dbraw/zinc/92/31/18/1075923118.db2.gz WQHQGSNLVFSBCR-LGMDPLHJSA-N 1 2 411.481 2.204 20 0 HEADLO CC[C@]1(C(C)C)NC(=O)N(C[NH+]2CCC(NC(=O)c3cc(C)oc3C)CC2)C1=O ZINC000738041646 1075955623 /nfs/dbraw/zinc/95/56/23/1075955623.db2.gz OWLSTQDAPPYWTD-OAQYLSRUSA-N 1 2 404.511 2.405 20 0 HEADLO CC(C)[C@]1(C)NC(=O)N(CN(Cc2ccccc2)[C@@H](C)C[NH+]2CCOCC2)C1=O ZINC000738042112 1075956276 /nfs/dbraw/zinc/95/62/76/1075956276.db2.gz SQWRLXNSYHHZMF-AVRDEDQJSA-N 1 2 402.539 2.133 20 0 HEADLO CC(=O)N1CCCCC[C@H]1C1CC[NH+](CN2C(=O)C(=O)N(C3CCCC3)C2=O)CC1 ZINC000738224237 1075975590 /nfs/dbraw/zinc/97/55/90/1075975590.db2.gz ZHQCSPYVQZOUHV-IBGZPJMESA-N 1 2 418.538 2.180 20 0 HEADLO O=C(CC[N@@H+]1CCNC(=O)[C@@H]1c1ccccc1)Nc1ccc(N2CCOCC2)cc1 ZINC000738324190 1075990126 /nfs/dbraw/zinc/99/01/26/1075990126.db2.gz NPCYLWOPZQASAW-QFIPXVFZSA-N 1 2 408.502 2.025 20 0 HEADLO O=C(CC[N@H+]1CCNC(=O)[C@@H]1c1ccccc1)Nc1ccc(N2CCOCC2)cc1 ZINC000738324190 1075990128 /nfs/dbraw/zinc/99/01/28/1075990128.db2.gz NPCYLWOPZQASAW-QFIPXVFZSA-N 1 2 408.502 2.025 20 0 HEADLO COc1ccc(NC(=O)C[N@H+](C)CCN2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000738326959 1075991063 /nfs/dbraw/zinc/99/10/63/1075991063.db2.gz SLRNFSOLQVWKCY-UHFFFAOYSA-N 1 2 406.527 2.118 20 0 HEADLO COc1ccc(NC(=O)C[N@@H+](C)CCN2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000738326959 1075991065 /nfs/dbraw/zinc/99/10/65/1075991065.db2.gz SLRNFSOLQVWKCY-UHFFFAOYSA-N 1 2 406.527 2.118 20 0 HEADLO C[C@H](CNS(=O)(=O)/C=C\c1cccc(Br)c1)C[NH+]1CCOCC1 ZINC000738412819 1075995260 /nfs/dbraw/zinc/99/52/60/1075995260.db2.gz HFNIMJVQPZHYRY-XTXQVDMPSA-N 1 2 403.342 2.308 20 0 HEADLO C[C@@H](CNS(=O)(=O)/C=C\c1ccc(Br)cc1)C[NH+]1CCOCC1 ZINC000738413112 1075995329 /nfs/dbraw/zinc/99/53/29/1075995329.db2.gz LZCIWIUKCOMWMZ-KGBIHWOQSA-N 1 2 403.342 2.308 20 0 HEADLO CCNS(=O)(=O)c1ccc(C)c(C(=O)N2CC[NH2+][C@H](c3cccc(OC)c3)C2)c1 ZINC001169964039 1079498633 /nfs/dbraw/zinc/49/86/33/1079498633.db2.gz UIDKXYNXCBAHGX-FQEVSTJZSA-N 1 2 417.531 2.089 20 0 HEADLO Cc1ccccc1[C@H]1C[C@@H](C)N(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC000738472789 1076003846 /nfs/dbraw/zinc/00/38/46/1076003846.db2.gz SAQKKFQWJDAMQP-MSOLQXFVSA-N 1 2 407.580 2.391 20 0 HEADLO C[C@@H]1COCCN1c1ccc(NC(=O)C(=O)N[C@H](Cn2cc[nH+]c2)C(C)(C)C)cc1 ZINC000739065729 1076034572 /nfs/dbraw/zinc/03/45/72/1076034572.db2.gz GLPCSTVKLRRRQU-VQIMIIECSA-N 1 2 413.522 2.278 20 0 HEADLO C[C@H]1COCCN1c1ccc(NC(=O)C(=O)N[C@@H](Cn2cc[nH+]c2)C(C)(C)C)cc1 ZINC000739065726 1076034629 /nfs/dbraw/zinc/03/46/29/1076034629.db2.gz GLPCSTVKLRRRQU-LPHOPBHVSA-N 1 2 413.522 2.278 20 0 HEADLO CCOC(=O)Cc1cccc(NC(=O)C(=O)N[C@H](Cn2cc[nH+]c2)C(C)(C)C)c1 ZINC000739069592 1076037058 /nfs/dbraw/zinc/03/70/58/1076037058.db2.gz UVOXDYBRTPPTFC-QGZVFWFLSA-N 1 2 400.479 2.158 20 0 HEADLO C[C@@](O)(CNC(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1)c1cccs1 ZINC000740040234 1076098323 /nfs/dbraw/zinc/09/83/23/1076098323.db2.gz ZUYNLUHOVVWWGX-OAQYLSRUSA-N 1 2 419.547 2.166 20 0 HEADLO O=C(NCc1ccc(-n2cncn2)nc1)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000740453837 1076180117 /nfs/dbraw/zinc/18/01/17/1076180117.db2.gz LJRPKADHZVFYBT-UHFFFAOYSA-N 1 2 404.434 2.260 20 0 HEADLO C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)c1cc(S(C)(=O)=O)ccc1Cl ZINC000740685047 1076223826 /nfs/dbraw/zinc/22/38/26/1076223826.db2.gz YEHIOZSQTVLFJD-UHFFFAOYSA-N 1 2 409.895 2.156 20 0 HEADLO O=C(c1cc(-c2ccncc2)nc2ccccc21)N1CC[NH+](CCn2cncn2)CC1 ZINC000740738802 1076229590 /nfs/dbraw/zinc/22/95/90/1076229590.db2.gz NGRINPBTOYELRI-UHFFFAOYSA-N 1 2 413.485 2.346 20 0 HEADLO Cc1cc(Cl)ncc1NC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000766255401 1076235313 /nfs/dbraw/zinc/23/53/13/1076235313.db2.gz KFPLPRJRHSUSAP-UHFFFAOYSA-N 1 2 402.886 2.299 20 0 HEADLO C[C@@H]1CN(c2cc(N3CCC[C@H](CO)C3)[nH+]cn2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000740868863 1076275862 /nfs/dbraw/zinc/27/58/62/1076275862.db2.gz DOOPQSWGUAWHRA-IKGGRYGDSA-N 1 2 405.543 2.425 20 0 HEADLO C[C@@H]1CN(c2cc(N3CCC[C@H](CO)C3)nc[nH+]2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000740868863 1076275880 /nfs/dbraw/zinc/27/58/80/1076275880.db2.gz DOOPQSWGUAWHRA-IKGGRYGDSA-N 1 2 405.543 2.425 20 0 HEADLO CCS(=O)(=O)N1CCc2cc(C(=O)COC(=O)[C@H](C)[NH+]3CCCCCC3)ccc21 ZINC000741028739 1076343384 /nfs/dbraw/zinc/34/33/84/1076343384.db2.gz HZAXCPLVXVPXBG-INIZCTEOSA-N 1 2 422.547 2.389 20 0 HEADLO Cc1ccc(CN(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C2CC2)cc1C ZINC000741085675 1076349715 /nfs/dbraw/zinc/34/97/15/1076349715.db2.gz DEIGTRJKAFHXMB-UHFFFAOYSA-N 1 2 407.580 2.486 20 0 HEADLO CC(C)(C)OC(=O)N1CC[C@H](C[NH+]2CCN(S(=O)(=O)Cc3ccccc3)CC2)C1 ZINC000741155772 1076388755 /nfs/dbraw/zinc/38/87/55/1076388755.db2.gz QWXVVOYAPGUWHH-LJQANCHMSA-N 1 2 423.579 2.391 20 0 HEADLO CC[N@H+](C)[C@@H](C(=O)OCC(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O)c1ccccc1 ZINC000741151106 1076393294 /nfs/dbraw/zinc/39/32/94/1076393294.db2.gz VVWIBWBLQROOJF-LJQANCHMSA-N 1 2 409.442 2.087 20 0 HEADLO CC[N@@H+](C)[C@@H](C(=O)OCC(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O)c1ccccc1 ZINC000741151106 1076393298 /nfs/dbraw/zinc/39/32/98/1076393298.db2.gz VVWIBWBLQROOJF-LJQANCHMSA-N 1 2 409.442 2.087 20 0 HEADLO O=C(NC[C@@H](O)c1c(F)cccc1Cl)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000741272952 1076439249 /nfs/dbraw/zinc/43/92/49/1076439249.db2.gz TVOWUSJGAYLJHX-CRAIPNDOSA-N 1 2 417.934 2.020 20 0 HEADLO O=C(C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)OCC(=O)N1CCc2ccccc2C1 ZINC000741350336 1076492124 /nfs/dbraw/zinc/49/21/24/1076492124.db2.gz CPAMJGVDRXUIPH-JOCHJYFZSA-N 1 2 408.498 2.406 20 0 HEADLO O=C(C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)OCC(=O)N1CCc2ccccc2C1 ZINC000741350336 1076492129 /nfs/dbraw/zinc/49/21/29/1076492129.db2.gz CPAMJGVDRXUIPH-JOCHJYFZSA-N 1 2 408.498 2.406 20 0 HEADLO O=C(COC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1)NC1CCC2(CC1)OCCO2 ZINC000741355736 1076494036 /nfs/dbraw/zinc/49/40/36/1076494036.db2.gz WEKFJXWNGOIOOC-FQEVSTJZSA-N 1 2 416.518 2.386 20 0 HEADLO O=C(COC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1)NC1CCC2(CC1)OCCO2 ZINC000741355736 1076494040 /nfs/dbraw/zinc/49/40/40/1076494040.db2.gz WEKFJXWNGOIOOC-FQEVSTJZSA-N 1 2 416.518 2.386 20 0 HEADLO C[C@H](OC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1)C(=O)NC(=O)Nc1ccccc1 ZINC000741387844 1076495984 /nfs/dbraw/zinc/49/59/84/1076495984.db2.gz QJGJSDASFOOCLI-LPHOPBHVSA-N 1 2 411.458 2.167 20 0 HEADLO C[C@H](OC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)C(=O)NC(=O)Nc1ccccc1 ZINC000741387844 1076495990 /nfs/dbraw/zinc/49/59/90/1076495990.db2.gz QJGJSDASFOOCLI-LPHOPBHVSA-N 1 2 411.458 2.167 20 0 HEADLO C[C@@H](OC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1)C(=O)NC(=O)Nc1ccccc1 ZINC000741387842 1076496162 /nfs/dbraw/zinc/49/61/62/1076496162.db2.gz QJGJSDASFOOCLI-APWZRJJASA-N 1 2 411.458 2.167 20 0 HEADLO C[C@@H](OC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)C(=O)NC(=O)Nc1ccccc1 ZINC000741387842 1076496166 /nfs/dbraw/zinc/49/61/66/1076496166.db2.gz QJGJSDASFOOCLI-APWZRJJASA-N 1 2 411.458 2.167 20 0 HEADLO CCOc1cccc(CNC(=O)COC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)c1 ZINC000741381162 1076505196 /nfs/dbraw/zinc/50/51/96/1076505196.db2.gz YQIASLNGDXJIAA-OAQYLSRUSA-N 1 2 412.486 2.146 20 0 HEADLO CCOc1cccc(CNC(=O)COC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c1 ZINC000741381162 1076505202 /nfs/dbraw/zinc/50/52/02/1076505202.db2.gz YQIASLNGDXJIAA-OAQYLSRUSA-N 1 2 412.486 2.146 20 0 HEADLO Cc1ccccc1C[C@@H](C)NC(=O)COC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000741380538 1076505430 /nfs/dbraw/zinc/50/54/30/1076505430.db2.gz CGDFXHKHIPEWPV-KNQAVFIVSA-N 1 2 410.514 2.486 20 0 HEADLO Cc1ccccc1C[C@@H](C)NC(=O)COC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000741380538 1076505438 /nfs/dbraw/zinc/50/54/38/1076505438.db2.gz CGDFXHKHIPEWPV-KNQAVFIVSA-N 1 2 410.514 2.486 20 0 HEADLO C[C@H](OC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000741380650 1076505581 /nfs/dbraw/zinc/50/55/81/1076505581.db2.gz DDBKKSASAPAHGT-UCNVEGJOSA-N 1 2 424.497 2.459 20 0 HEADLO C[C@H](OC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000741380650 1076505587 /nfs/dbraw/zinc/50/55/87/1076505587.db2.gz DDBKKSASAPAHGT-UCNVEGJOSA-N 1 2 424.497 2.459 20 0 HEADLO C[C@H](OC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1)C(=O)NCCc1ccc(F)cc1 ZINC000741384070 1076507479 /nfs/dbraw/zinc/50/74/79/1076507479.db2.gz BKMGSAAATQQODY-UWJYYQICSA-N 1 2 414.477 2.317 20 0 HEADLO C[C@H](OC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)C(=O)NCCc1ccc(F)cc1 ZINC000741384070 1076507486 /nfs/dbraw/zinc/50/74/86/1076507486.db2.gz BKMGSAAATQQODY-UWJYYQICSA-N 1 2 414.477 2.317 20 0 HEADLO Cc1ccccc1CCNC(=O)[C@@H](C)OC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000741383358 1076507822 /nfs/dbraw/zinc/50/78/22/1076507822.db2.gz LYSLOGNLNCISGI-KNQAVFIVSA-N 1 2 410.514 2.486 20 0 HEADLO Cc1ccccc1CCNC(=O)[C@@H](C)OC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000741383358 1076507830 /nfs/dbraw/zinc/50/78/30/1076507830.db2.gz LYSLOGNLNCISGI-KNQAVFIVSA-N 1 2 410.514 2.486 20 0 HEADLO COc1cc(NC(=O)COC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cc(OC)c1 ZINC000741384753 1076508469 /nfs/dbraw/zinc/50/84/69/1076508469.db2.gz DXSRLGORYQWUOF-FQEVSTJZSA-N 1 2 414.458 2.087 20 0 HEADLO COc1cc(NC(=O)COC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cc(OC)c1 ZINC000741384753 1076508472 /nfs/dbraw/zinc/50/84/72/1076508472.db2.gz DXSRLGORYQWUOF-FQEVSTJZSA-N 1 2 414.458 2.087 20 0 HEADLO O=C(NCC[S@@](=O)Cc1ccccc1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000741420713 1076533588 /nfs/dbraw/zinc/53/35/88/1076533588.db2.gz PLRVNGOYVFBCHQ-MUUNZHRXSA-N 1 2 407.580 2.270 20 0 HEADLO CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)C[N@@H+]2Cc3ccccc3C[C@H]2C)C1=O ZINC000741798519 1076623767 /nfs/dbraw/zinc/62/37/67/1076623767.db2.gz UVZDWEYXULBFNB-WAIKUNEKSA-N 1 2 406.486 2.322 20 0 HEADLO CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)C[N@H+]2Cc3ccccc3C[C@H]2C)C1=O ZINC000741798519 1076623775 /nfs/dbraw/zinc/62/37/75/1076623775.db2.gz UVZDWEYXULBFNB-WAIKUNEKSA-N 1 2 406.486 2.322 20 0 HEADLO NC(=O)c1ccc(/C=C/C(=O)N2CCC[C@@H]2C(=O)Nc2cccc3[nH+]ccn32)cc1 ZINC000741969936 1076700178 /nfs/dbraw/zinc/70/01/78/1076700178.db2.gz RMDVYOLPLNOXDK-VGMNTSGFSA-N 1 2 403.442 2.076 20 0 HEADLO CN(C)c1ccc([NH+]2CCC(NC(=O)[C@H]3CS[C@@]4(C)CCC(=O)N34)CC2)cc1 ZINC000741982292 1076702227 /nfs/dbraw/zinc/70/22/27/1076702227.db2.gz OAWGXUPHWKQQHJ-NQIIRXRSSA-N 1 2 402.564 2.292 20 0 HEADLO Cc1ccc(-c2nnn(CC(=O)NC3CC[NH+](c4ccc(N(C)C)cc4)CC3)n2)cc1 ZINC000741982116 1076702655 /nfs/dbraw/zinc/70/26/55/1076702655.db2.gz JYLBLDSJPHKDSQ-UHFFFAOYSA-N 1 2 419.533 2.500 20 0 HEADLO CN(C)c1ccc([NH+]2CCC(NC(=O)c3nn(C)c(=O)c4ccccc43)CC2)cc1 ZINC000741983580 1076703314 /nfs/dbraw/zinc/70/33/14/1076703314.db2.gz VINOMHXMHWDSLQ-UHFFFAOYSA-N 1 2 405.502 2.398 20 0 HEADLO CN(C)c1ccc([NH+]2CCC(NC(=O)COCCNC(=O)OC(C)(C)C)CC2)cc1 ZINC000742109443 1076744930 /nfs/dbraw/zinc/74/49/30/1076744930.db2.gz PMJVZSMDWCYGOC-UHFFFAOYSA-N 1 2 420.554 2.379 20 0 HEADLO CN(C)c1ccc([NH+]2CCC(NC(=O)Cn3nc(-c4ccccc4)oc3=O)CC2)cc1 ZINC000742114118 1076746696 /nfs/dbraw/zinc/74/66/96/1076746696.db2.gz SMXAJZRARVOBCI-UHFFFAOYSA-N 1 2 421.501 2.355 20 0 HEADLO COc1ccc(CCN2C(=O)C(=O)N(C[N@@H+]3Cc4ccccc4C[C@H]3C)C2=O)cc1 ZINC000742159528 1076771792 /nfs/dbraw/zinc/77/17/92/1076771792.db2.gz QQLWTCMKOBNGDT-MRXNPFEDSA-N 1 2 407.470 2.433 20 0 HEADLO COc1ccc(CCN2C(=O)C(=O)N(C[N@H+]3Cc4ccccc4C[C@H]3C)C2=O)cc1 ZINC000742159528 1076771794 /nfs/dbraw/zinc/77/17/94/1076771794.db2.gz QQLWTCMKOBNGDT-MRXNPFEDSA-N 1 2 407.470 2.433 20 0 HEADLO CC(C)(C)C1CCC2(CC1)NC(=O)N(C[N@@H+]1CC[C@@H](CN3CCOCC3)C1)C2=O ZINC000742161063 1076772792 /nfs/dbraw/zinc/77/27/92/1076772792.db2.gz FBIGSIJEGCASBX-LYGNXSNRSA-N 1 2 406.571 2.125 20 0 HEADLO CC(C)(C)C1CCC2(CC1)NC(=O)N(C[N@H+]1CC[C@@H](CN3CCOCC3)C1)C2=O ZINC000742161063 1076772795 /nfs/dbraw/zinc/77/27/95/1076772795.db2.gz FBIGSIJEGCASBX-LYGNXSNRSA-N 1 2 406.571 2.125 20 0 HEADLO Cc1nn(C[N@@H+]2CC[C@@H](COCc3ccccc3)C2)c(=S)n1CC(=O)N(C)C ZINC000742177648 1076792882 /nfs/dbraw/zinc/79/28/82/1076792882.db2.gz XMOBZRRSMHIGGS-GOSISDBHSA-N 1 2 403.552 2.307 20 0 HEADLO Cc1nn(C[N@H+]2CC[C@@H](COCc3ccccc3)C2)c(=S)n1CC(=O)N(C)C ZINC000742177648 1076792890 /nfs/dbraw/zinc/79/28/90/1076792890.db2.gz XMOBZRRSMHIGGS-GOSISDBHSA-N 1 2 403.552 2.307 20 0 HEADLO C[N@H+](CC(F)F)C1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2cccs2)CC1 ZINC000742236856 1076803032 /nfs/dbraw/zinc/80/30/32/1076803032.db2.gz AADYUUAWRHHJNT-CQSZACIVSA-N 1 2 421.535 2.089 20 0 HEADLO C[N@@H+](CC(F)F)C1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2cccs2)CC1 ZINC000742236856 1076803037 /nfs/dbraw/zinc/80/30/37/1076803037.db2.gz AADYUUAWRHHJNT-CQSZACIVSA-N 1 2 421.535 2.089 20 0 HEADLO CN(C)c1ccc([NH+]2CCC(NS(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)CC2)cc1 ZINC000742321396 1076823566 /nfs/dbraw/zinc/82/35/66/1076823566.db2.gz RCVGPVLBNHHPRS-UHFFFAOYSA-N 1 2 415.519 2.282 20 0 HEADLO O=S(=O)(/C=C/c1ccccc1Br)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000742316405 1076828655 /nfs/dbraw/zinc/82/86/55/1076828655.db2.gz IRRBVTPZQKCPMO-KXCGHJCSSA-N 1 2 415.353 2.404 20 0 HEADLO Cc1cc(C)n(Cc2cccc(C(N)=[NH+]O[C@@H]3CCCN(c4cnn(C)c4)C3=O)c2)n1 ZINC000742356762 1076829979 /nfs/dbraw/zinc/82/99/79/1076829979.db2.gz HLOUEKOUMYCYKT-HXUWFJFHSA-N 1 2 421.505 2.324 20 0 HEADLO Cc1cc(C)n(Cc2cccc(C(N)=[NH+]O[C@H]3CCCN(c4cnn(C)c4)C3=O)c2)n1 ZINC000742356761 1076829998 /nfs/dbraw/zinc/82/99/98/1076829998.db2.gz HLOUEKOUMYCYKT-FQEVSTJZSA-N 1 2 421.505 2.324 20 0 HEADLO CC[C@@]1(c2ccc(Cl)cc2)NC(=O)N(C[N@@H+]2CCC[C@H](CNC(C)=O)C2)C1=O ZINC000742557472 1076851755 /nfs/dbraw/zinc/85/17/55/1076851755.db2.gz GBCFHOLLSYILBS-QRWLVFNGSA-N 1 2 406.914 2.303 20 0 HEADLO CC[C@@]1(c2ccc(Cl)cc2)NC(=O)N(C[N@H+]2CCC[C@H](CNC(C)=O)C2)C1=O ZINC000742557472 1076851756 /nfs/dbraw/zinc/85/17/56/1076851756.db2.gz GBCFHOLLSYILBS-QRWLVFNGSA-N 1 2 406.914 2.303 20 0 HEADLO CCc1ccccc1NC(=S)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000737464877 1076858019 /nfs/dbraw/zinc/85/80/19/1076858019.db2.gz AZCPXEGZFUAONB-UHFFFAOYSA-N 1 2 412.563 2.395 20 0 HEADLO CCc1ccccc1NC(=S)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000737464877 1076858022 /nfs/dbraw/zinc/85/80/22/1076858022.db2.gz AZCPXEGZFUAONB-UHFFFAOYSA-N 1 2 412.563 2.395 20 0 HEADLO Cc1ccc(C)c(NC(=S)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)c1 ZINC000737465603 1076865497 /nfs/dbraw/zinc/86/54/97/1076865497.db2.gz PBAUEEYISNQHRH-UHFFFAOYSA-N 1 2 412.563 2.449 20 0 HEADLO Cc1ccc(C)c(NC(=S)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)c1 ZINC000737465603 1076865501 /nfs/dbraw/zinc/86/55/01/1076865501.db2.gz PBAUEEYISNQHRH-UHFFFAOYSA-N 1 2 412.563 2.449 20 0 HEADLO S=C(Nc1cccc(Cl)c1)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000737465722 1076868172 /nfs/dbraw/zinc/86/81/72/1076868172.db2.gz UIHXEJFSVCEJIL-UHFFFAOYSA-N 1 2 418.954 2.486 20 0 HEADLO S=C(Nc1cccc(Cl)c1)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000737465722 1076868175 /nfs/dbraw/zinc/86/81/75/1076868175.db2.gz UIHXEJFSVCEJIL-UHFFFAOYSA-N 1 2 418.954 2.486 20 0 HEADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1ccc(F)c(S(N)(=O)=O)c1 ZINC000742941468 1076896657 /nfs/dbraw/zinc/89/66/57/1076896657.db2.gz ARUGCHWRNQBVGL-UHFFFAOYSA-N 1 2 420.510 2.247 20 0 HEADLO O=C(Nc1ccc(S(=O)(=O)C(F)F)cc1)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000743075115 1076944363 /nfs/dbraw/zinc/94/43/63/1076944363.db2.gz YWLYYDUEKFBRSK-OAHLLOKOSA-N 1 2 417.478 2.402 20 0 HEADLO CC(C)(C)c1ccc([C@H](O)CNC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)cc1 ZINC000743168303 1076986157 /nfs/dbraw/zinc/98/61/57/1076986157.db2.gz FMSXCCHNEKWAAU-LJQANCHMSA-N 1 2 415.538 2.368 20 0 HEADLO COCCNS(=O)(=O)c1ccc(NC(=O)N[C@@H](Cn2cc[nH+]c2)C(C)(C)C)cc1 ZINC000743213353 1077005008 /nfs/dbraw/zinc/00/50/08/1077005008.db2.gz XIXOTFKLVDCHOV-KRWDZBQOSA-N 1 2 423.539 2.044 20 0 HEADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)Nc2ccc(F)cc2OC(F)F)CC1 ZINC000743215594 1077005771 /nfs/dbraw/zinc/00/57/71/1077005771.db2.gz YSRZJGRTEZNYKB-UHFFFAOYSA-N 1 2 409.430 2.058 20 0 HEADLO C[C@H]1C[C@@]2(CC(C)(C)C1)NC(=O)N(C[NH+]1CCC(c3nnc4n3CCC4)CC1)C2=O ZINC000743353986 1077030751 /nfs/dbraw/zinc/03/07/51/1077030751.db2.gz ITTKSNPKFHKOMI-QRQCRPRQSA-N 1 2 414.554 2.498 20 0 HEADLO C[C@@H]1C[C@]2(CC(C)(C)C1)NC(=O)N(C[NH+]1CCC(c3nnc4n3CCC4)CC1)C2=O ZINC000743353985 1077030798 /nfs/dbraw/zinc/03/07/98/1077030798.db2.gz ITTKSNPKFHKOMI-OYHNWAKOSA-N 1 2 414.554 2.498 20 0 HEADLO CN(C[C@@H]1CCC[N@@H+]1CN1C(=O)N[C@@H](Cc2ccccc2)C1=O)C(=O)OC(C)(C)C ZINC000743393101 1077040600 /nfs/dbraw/zinc/04/06/00/1077040600.db2.gz HFWKEEJBNFOOFS-ROUUACIJSA-N 1 2 416.522 2.438 20 0 HEADLO CN(C[C@@H]1CCC[N@H+]1CN1C(=O)N[C@@H](Cc2ccccc2)C1=O)C(=O)OC(C)(C)C ZINC000743393101 1077040606 /nfs/dbraw/zinc/04/06/06/1077040606.db2.gz HFWKEEJBNFOOFS-ROUUACIJSA-N 1 2 416.522 2.438 20 0 HEADLO C[C@H]1C[N@H+](Cn2c3ccc(S(=O)(=O)N(C)C)cc3oc2=O)[C@H]1c1ccccc1 ZINC000743394515 1077041377 /nfs/dbraw/zinc/04/13/77/1077041377.db2.gz MORSOTJFNWFSMU-IFXJQAMLSA-N 1 2 401.488 2.495 20 0 HEADLO C[C@H]1C[N@@H+](Cn2c3ccc(S(=O)(=O)N(C)C)cc3oc2=O)[C@H]1c1ccccc1 ZINC000743394515 1077041384 /nfs/dbraw/zinc/04/13/84/1077041384.db2.gz MORSOTJFNWFSMU-IFXJQAMLSA-N 1 2 401.488 2.495 20 0 HEADLO CC[C@H]1C[N@H+](CN2C(=O)N[C@@](C)(c3cccc(N4CCOC4=O)c3)C2=O)CCS1 ZINC000743399909 1077042708 /nfs/dbraw/zinc/04/27/08/1077042708.db2.gz GPBKODINBFANDH-JXFKEZNVSA-N 1 2 418.519 2.195 20 0 HEADLO CC[C@H]1C[N@@H+](CN2C(=O)N[C@@](C)(c3cccc(N4CCOC4=O)c3)C2=O)CCS1 ZINC000743399909 1077042716 /nfs/dbraw/zinc/04/27/16/1077042716.db2.gz GPBKODINBFANDH-JXFKEZNVSA-N 1 2 418.519 2.195 20 0 HEADLO CC[C@@H]1C[N@H+](CN2C(=O)N[C@@](C)(c3cccc(N4CCOC4=O)c3)C2=O)CCS1 ZINC000743399916 1077042846 /nfs/dbraw/zinc/04/28/46/1077042846.db2.gz GPBKODINBFANDH-UZLBHIALSA-N 1 2 418.519 2.195 20 0 HEADLO CC[C@@H]1C[N@@H+](CN2C(=O)N[C@@](C)(c3cccc(N4CCOC4=O)c3)C2=O)CCS1 ZINC000743399916 1077042854 /nfs/dbraw/zinc/04/28/54/1077042854.db2.gz GPBKODINBFANDH-UZLBHIALSA-N 1 2 418.519 2.195 20 0 HEADLO COCCOc1cc(NC(=O)C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)ccc1OC ZINC000743402031 1077043158 /nfs/dbraw/zinc/04/31/58/1077043158.db2.gz QDVFQEQDCPKAGC-UHFFFAOYSA-N 1 2 424.457 2.161 20 0 HEADLO CC[C@@]1(c2ccc(Cl)cc2)NC(=O)N(C[N@@H+]2CCC[C@H]2CN2CCOCC2)C1=O ZINC000743376688 1077044366 /nfs/dbraw/zinc/04/43/66/1077044366.db2.gz ZHJYAOLJRUSGDL-RXVVDRJESA-N 1 2 420.941 2.251 20 0 HEADLO CC[C@@]1(c2ccc(Cl)cc2)NC(=O)N(C[N@H+]2CCC[C@H]2CN2CCOCC2)C1=O ZINC000743376688 1077044372 /nfs/dbraw/zinc/04/43/72/1077044372.db2.gz ZHJYAOLJRUSGDL-RXVVDRJESA-N 1 2 420.941 2.251 20 0 HEADLO CC[C@@]1(c2ccc(Cl)cc2)NC(=O)N(CN2CCC[C@H]2C[NH+]2CCOCC2)C1=O ZINC000743376688 1077044376 /nfs/dbraw/zinc/04/43/76/1077044376.db2.gz ZHJYAOLJRUSGDL-RXVVDRJESA-N 1 2 420.941 2.251 20 0 HEADLO Cn1cc([C@H](O)CNC(=O)N[C@@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)cn1 ZINC000743604170 1077074334 /nfs/dbraw/zinc/07/43/34/1077074334.db2.gz MHVOSTPHTFFTGE-SJLPKXTDSA-N 1 2 409.893 2.210 20 0 HEADLO Cn1cc([C@H](O)CNC(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)cn1 ZINC000743604170 1077074341 /nfs/dbraw/zinc/07/43/41/1077074341.db2.gz MHVOSTPHTFFTGE-SJLPKXTDSA-N 1 2 409.893 2.210 20 0 HEADLO CC(=O)N1CCC(CNC(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)CC1 ZINC000743595156 1077077862 /nfs/dbraw/zinc/07/78/62/1077077862.db2.gz VJVSRWDNYNOOSP-UHFFFAOYSA-N 1 2 401.555 2.279 20 0 HEADLO C[C@@H]1C[C@H](c2ccccc2F)N(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC000743603404 1077079096 /nfs/dbraw/zinc/07/90/96/1077079096.db2.gz ZTJLBVFQTYFNQJ-DNVCBOLYSA-N 1 2 411.543 2.427 20 0 HEADLO C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC000743602766 1077079139 /nfs/dbraw/zinc/07/91/39/1077079139.db2.gz PTUWRBVWYTWIMU-DNVCBOLYSA-N 1 2 411.543 2.427 20 0 HEADLO CCc1ccc(N2CC[NH+](CC(=O)N3Cc4ccccc4C[C@H]3C(=O)OC)CC2)cc1 ZINC000743867177 1077153564 /nfs/dbraw/zinc/15/35/64/1077153564.db2.gz HCRMWIYPPWSWAT-QHCPKHFHSA-N 1 2 421.541 2.498 20 0 HEADLO CC(C)NS(=O)(=O)c1ccc(F)c(C(=O)NCC[NH+]2Cc3ccccc3C2)c1 ZINC000743922023 1077246589 /nfs/dbraw/zinc/24/65/89/1077246589.db2.gz SCOPQKSYGIDNKC-UHFFFAOYSA-N 1 2 405.495 2.258 20 0 HEADLO COC(=O)c1cc(NC(=O)C(=O)N[C@H](Cc2[nH+]ccn2C)c2ccccc2)ccc1F ZINC000743985466 1077296507 /nfs/dbraw/zinc/29/65/07/1077296507.db2.gz HXJZZHGXBKSUGN-GOSISDBHSA-N 1 2 424.432 2.385 20 0 HEADLO CC(C)N(C)C(=O)C1CC[NH+](CN2C(=O)N[C@](C)(c3ccccc3F)C2=O)CC1 ZINC000744137560 1077327522 /nfs/dbraw/zinc/32/75/22/1077327522.db2.gz TWHAAYZGTJYSDT-OAQYLSRUSA-N 1 2 404.486 2.129 20 0 HEADLO O=C(NCCSC(F)(F)F)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000744292066 1077357535 /nfs/dbraw/zinc/35/75/35/1077357535.db2.gz ODSYLTFDXAMOKQ-UHFFFAOYSA-N 1 2 407.458 2.450 20 0 HEADLO COc1c(C)c[nH+]c(CNC(=O)NCCN2CCN(C(=O)OC(C)(C)C)CC2)c1C ZINC000065388455 1077447093 /nfs/dbraw/zinc/44/70/93/1077447093.db2.gz IBJZUMHFBHZQEK-UHFFFAOYSA-N 1 2 421.542 2.059 20 0 HEADLO CC[N@H+](C)[C@@H](C(=O)OCc1nnc2n1c1ccsc1c(=O)n2C)c1ccccc1 ZINC000745098740 1077729188 /nfs/dbraw/zinc/72/91/88/1077729188.db2.gz VKCJPEISGDZALL-MRXNPFEDSA-N 1 2 411.487 2.379 20 0 HEADLO CC[N@@H+](C)[C@@H](C(=O)OCc1nnc2n1c1ccsc1c(=O)n2C)c1ccccc1 ZINC000745098740 1077729202 /nfs/dbraw/zinc/72/92/02/1077729202.db2.gz VKCJPEISGDZALL-MRXNPFEDSA-N 1 2 411.487 2.379 20 0 HEADLO CS(=O)(=O)Cc1nc(COC(=O)C[C@H]2C[N@H+](Cc3ccccc3)CCO2)cs1 ZINC000745102231 1077731753 /nfs/dbraw/zinc/73/17/53/1077731753.db2.gz PPCPSIFPBWBERH-KRWDZBQOSA-N 1 2 424.544 2.022 20 0 HEADLO CS(=O)(=O)Cc1nc(COC(=O)C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cs1 ZINC000745102231 1077731754 /nfs/dbraw/zinc/73/17/54/1077731754.db2.gz PPCPSIFPBWBERH-KRWDZBQOSA-N 1 2 424.544 2.022 20 0 HEADLO CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)COC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000745078832 1077733829 /nfs/dbraw/zinc/73/38/29/1077733829.db2.gz GNEDVVWDJQNIAA-ZDUSSCGKSA-N 1 2 410.492 2.402 20 0 HEADLO CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)COC(=O)[C@@H]1CCCC[N@H+]1C ZINC000745078832 1077733839 /nfs/dbraw/zinc/73/38/39/1077733839.db2.gz GNEDVVWDJQNIAA-ZDUSSCGKSA-N 1 2 410.492 2.402 20 0 HEADLO C[N@@H+]1CCCC[C@H]1C(=O)OCC(=O)NC1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000745079381 1077734898 /nfs/dbraw/zinc/73/48/98/1077734898.db2.gz KHKADLPMQUEJHR-KRWDZBQOSA-N 1 2 402.491 2.371 20 0 HEADLO C[N@H+]1CCCC[C@H]1C(=O)OCC(=O)NC1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000745079381 1077734912 /nfs/dbraw/zinc/73/49/12/1077734912.db2.gz KHKADLPMQUEJHR-KRWDZBQOSA-N 1 2 402.491 2.371 20 0 HEADLO C[N@@H+]1CCCC[C@@H]1C(=O)OCC(=O)N1c2ccccc2NC(=O)C[C@H]1C(F)(F)F ZINC000745083860 1077736121 /nfs/dbraw/zinc/73/61/21/1077736121.db2.gz YUFJLHZOSOGBTE-CABCVRRESA-N 1 2 413.396 2.320 20 0 HEADLO C[N@H+]1CCCC[C@@H]1C(=O)OCC(=O)N1c2ccccc2NC(=O)C[C@H]1C(F)(F)F ZINC000745083860 1077736129 /nfs/dbraw/zinc/73/61/29/1077736129.db2.gz YUFJLHZOSOGBTE-CABCVRRESA-N 1 2 413.396 2.320 20 0 HEADLO COC(=O)C1CCN(C(=O)[C@H](C)OC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)CC1 ZINC000745105357 1077740477 /nfs/dbraw/zinc/74/04/77/1077740477.db2.gz SXJPNWGNWSBPTR-PXNSSMCTSA-N 1 2 416.518 2.384 20 0 HEADLO COC(=O)C1CCN(C(=O)[C@H](C)OC(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC000745105357 1077740482 /nfs/dbraw/zinc/74/04/82/1077740482.db2.gz SXJPNWGNWSBPTR-PXNSSMCTSA-N 1 2 416.518 2.384 20 0 HEADLO O=C(Nc1ccc(Br)nc1)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000766328139 1077808174 /nfs/dbraw/zinc/80/81/74/1077808174.db2.gz PEWAWUKHNKENGB-UHFFFAOYSA-N 1 2 403.280 2.127 20 0 HEADLO COCCOC(=O)c1sc2[nH]c(C[N@H+](C[C@@H]3CCOC3)C3CC3)nc(=O)c2c1C ZINC000771796322 1079511985 /nfs/dbraw/zinc/51/19/85/1079511985.db2.gz ZDDOMUSTCGUIFN-ZDUSSCGKSA-N 1 2 421.519 2.097 20 0 HEADLO COCCOC(=O)c1sc2[nH]c(C[N@@H+](C[C@@H]3CCOC3)C3CC3)nc(=O)c2c1C ZINC000771796322 1079511994 /nfs/dbraw/zinc/51/19/94/1079511994.db2.gz ZDDOMUSTCGUIFN-ZDUSSCGKSA-N 1 2 421.519 2.097 20 0 HEADLO COC(=O)C[C@@H]1CCC[N@@H+]1Cn1nc(N2CCOCC2)n(-c2ccccc2)c1=S ZINC000771861938 1079554845 /nfs/dbraw/zinc/55/48/45/1079554845.db2.gz ITTDYCWSTOPBMT-KRWDZBQOSA-N 1 2 417.535 2.225 20 0 HEADLO COC(=O)C[C@@H]1CCC[N@H+]1Cn1nc(N2CCOCC2)n(-c2ccccc2)c1=S ZINC000771861938 1079554858 /nfs/dbraw/zinc/55/48/58/1079554858.db2.gz ITTDYCWSTOPBMT-KRWDZBQOSA-N 1 2 417.535 2.225 20 0 HEADLO Cn1cc([C@H](O)C[C@H]2CCC[N@@H+]2[C@@H](C(N)=O)c2cccc(Br)c2)cn1 ZINC000766965471 1079560392 /nfs/dbraw/zinc/56/03/92/1079560392.db2.gz ZYLVYWDKILADOW-BRWVUGGUSA-N 1 2 407.312 2.297 20 0 HEADLO Cn1cc([C@H](O)C[C@H]2CCC[N@H+]2[C@@H](C(N)=O)c2cccc(Br)c2)cn1 ZINC000766965471 1079560404 /nfs/dbraw/zinc/56/04/04/1079560404.db2.gz ZYLVYWDKILADOW-BRWVUGGUSA-N 1 2 407.312 2.297 20 0 HEADLO O=C(CCCNS(=O)(=O)c1cccc(C(F)(F)F)c1)OCCn1cc[nH+]c1 ZINC000771852422 1079565603 /nfs/dbraw/zinc/56/56/03/1079565603.db2.gz WCXIGNWVCGRUST-UHFFFAOYSA-N 1 2 405.398 2.204 20 0 HEADLO CCOC(=O)C1C(C[N@@H+]2CCC[C@@](C)(O)C2)=NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000767020972 1079594907 /nfs/dbraw/zinc/59/49/07/1079594907.db2.gz ZQFYKVHNOHZCPS-FXAWDEMLSA-N 1 2 407.898 2.358 20 0 HEADLO CCOC(=O)C1C(C[N@H+]2CCC[C@@](C)(O)C2)=NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000767020972 1079594921 /nfs/dbraw/zinc/59/49/21/1079594921.db2.gz ZQFYKVHNOHZCPS-FXAWDEMLSA-N 1 2 407.898 2.358 20 0 HEADLO Cn1ccnc1[C@H](O)C1CCN(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)CC1 ZINC000771955916 1079602520 /nfs/dbraw/zinc/60/25/20/1079602520.db2.gz KTPDXFDQKVADMF-LJQANCHMSA-N 1 2 412.469 2.400 20 0 HEADLO CN(Cc1ccc(OC(F)F)cc1)C(=O)COC(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000772049840 1079669754 /nfs/dbraw/zinc/66/97/54/1079669754.db2.gz SWIACMIBZMTHLI-AWEZNQCLSA-N 1 2 402.463 2.227 20 0 HEADLO CN(Cc1ccc(OC(F)F)cc1)C(=O)COC(=O)C[N@@H+](C)[C@H]1CCSC1 ZINC000772049840 1079669759 /nfs/dbraw/zinc/66/97/59/1079669759.db2.gz SWIACMIBZMTHLI-AWEZNQCLSA-N 1 2 402.463 2.227 20 0 HEADLO C[C@@H](OC(=O)C[N@H+](C)[C@H]1CCSC1)C(=O)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000772049883 1079671941 /nfs/dbraw/zinc/67/19/41/1079671941.db2.gz UCWUDNKOXMFCHB-PWSUYJOCSA-N 1 2 402.419 2.316 20 0 HEADLO C[C@@H](OC(=O)C[N@@H+](C)[C@H]1CCSC1)C(=O)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000772049883 1079671945 /nfs/dbraw/zinc/67/19/45/1079671945.db2.gz UCWUDNKOXMFCHB-PWSUYJOCSA-N 1 2 402.419 2.316 20 0 HEADLO COc1ccc(OC)c([C@H](C)NC(=O)[C@@H](C)OC(=O)C[N@H+](C)[C@H]2CCSC2)c1 ZINC000767116878 1079682705 /nfs/dbraw/zinc/68/27/05/1079682705.db2.gz NSTFYYMYOSVMQX-ZNMIVQPWSA-N 1 2 410.536 2.250 20 0 HEADLO COc1ccc(OC)c([C@H](C)NC(=O)[C@@H](C)OC(=O)C[N@@H+](C)[C@H]2CCSC2)c1 ZINC000767116878 1079682745 /nfs/dbraw/zinc/68/27/45/1079682745.db2.gz NSTFYYMYOSVMQX-ZNMIVQPWSA-N 1 2 410.536 2.250 20 0 HEADLO COc1ccc([C@H](OC)[C@H](C)NC(=O)C(=O)Nc2ccc(C)[nH+]c2N(C)C)cc1 ZINC000772274441 1079776655 /nfs/dbraw/zinc/77/66/55/1079776655.db2.gz HIXZJFFJTOGTLH-KBXCAEBGSA-N 1 2 400.479 2.296 20 0 HEADLO O=C1O[C@H](Cn2nnc([C@H]3C[N@H+](Cc4ccccc4)CCO3)n2)CN1c1ccccc1 ZINC000767391793 1079843036 /nfs/dbraw/zinc/84/30/36/1079843036.db2.gz GOIHMPNHFJNZNB-VQTJNVASSA-N 1 2 420.473 2.272 20 0 HEADLO O=C1O[C@H](Cn2nnc([C@H]3C[N@@H+](Cc4ccccc4)CCO3)n2)CN1c1ccccc1 ZINC000767391793 1079843040 /nfs/dbraw/zinc/84/30/40/1079843040.db2.gz GOIHMPNHFJNZNB-VQTJNVASSA-N 1 2 420.473 2.272 20 0 HEADLO O=C(N[C@H](Cc1ccccc1)C(=O)OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccccc1 ZINC000767420112 1079855509 /nfs/dbraw/zinc/85/55/09/1079855509.db2.gz QATUYXAZRFJNHI-BHIFYINESA-N 1 2 408.498 2.434 20 0 HEADLO O=C(N[C@H](Cc1ccccc1)C(=O)OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccccc1 ZINC000767420112 1079855514 /nfs/dbraw/zinc/85/55/14/1079855514.db2.gz QATUYXAZRFJNHI-BHIFYINESA-N 1 2 408.498 2.434 20 0 HEADLO CCN1C(=O)c2ccccc2N2C(=O)CC[C@]21C(=O)OCc1cc[nH+]c(N(C)C)c1 ZINC000767466566 1079869090 /nfs/dbraw/zinc/86/90/90/1079869090.db2.gz KPCGIWYPBRPZAC-JOCHJYFZSA-N 1 2 408.458 2.190 20 0 HEADLO O=C(OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000767498275 1079890937 /nfs/dbraw/zinc/89/09/37/1079890937.db2.gz OKLKKRXRQVUJJZ-BBWFWOEESA-N 1 2 423.307 2.208 20 0 HEADLO O=C(OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000767498275 1079890940 /nfs/dbraw/zinc/89/09/40/1079890940.db2.gz OKLKKRXRQVUJJZ-BBWFWOEESA-N 1 2 423.307 2.208 20 0 HEADLO CN(C)c1cc(COC(=O)CN2C(=O)c3ccccc3N3C(=O)CC[C@@]32C)cc[nH+]1 ZINC000767475793 1079894351 /nfs/dbraw/zinc/89/43/51/1079894351.db2.gz ITBYASBORMVGIV-JOCHJYFZSA-N 1 2 408.458 2.190 20 0 HEADLO COc1ccc(/C=C/C(=O)NCc2ccccc2OCC[NH+]2CCOCC2)cc1O ZINC000772510812 1079907137 /nfs/dbraw/zinc/90/71/37/1079907137.db2.gz NZMVEQLHVXTOJY-VQHVLOKHSA-N 1 2 412.486 2.441 20 0 HEADLO COc1ccc(/C=C\C(=O)NCc2ccccc2OCC[NH+]2CCOCC2)cc1O ZINC000772510810 1079907275 /nfs/dbraw/zinc/90/72/75/1079907275.db2.gz NZMVEQLHVXTOJY-CLFYSBASSA-N 1 2 412.486 2.441 20 0 HEADLO Cc1cccc(NC(=O)COC(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)c1C ZINC000767539700 1079944079 /nfs/dbraw/zinc/94/40/79/1079944079.db2.gz RHXLHLBTAKLIBQ-UHFFFAOYSA-N 1 2 424.501 2.309 20 0 HEADLO COc1cccc([C@@H]2[C@@H](C(=O)OCC[N@H+]3C[C@H]4CC[C@@H](C3)O4)CC(=O)N2C2CC2)c1 ZINC000767582843 1079968830 /nfs/dbraw/zinc/96/88/30/1079968830.db2.gz DHZIHVAGZAAXOP-CUXKYVRBSA-N 1 2 414.502 2.154 20 0 HEADLO COc1cccc([C@@H]2[C@@H](C(=O)OCC[N@@H+]3C[C@H]4CC[C@@H](C3)O4)CC(=O)N2C2CC2)c1 ZINC000767582843 1079968852 /nfs/dbraw/zinc/96/88/52/1079968852.db2.gz DHZIHVAGZAAXOP-CUXKYVRBSA-N 1 2 414.502 2.154 20 0 HEADLO C[C@@H]1C[N@H+](C(C)(C)CNS(=O)(=O)c2ccc(C3(C)OCCO3)cc2)C[C@H](C)O1 ZINC000767670402 1080018264 /nfs/dbraw/zinc/01/82/64/1080018264.db2.gz HHYHIIBTJRYWCF-IYBDPMFKSA-N 1 2 412.552 2.072 20 0 HEADLO C[C@@H]1C[N@@H+](C(C)(C)CNS(=O)(=O)c2ccc(C3(C)OCCO3)cc2)C[C@H](C)O1 ZINC000767670402 1080018275 /nfs/dbraw/zinc/01/82/75/1080018275.db2.gz HHYHIIBTJRYWCF-IYBDPMFKSA-N 1 2 412.552 2.072 20 0 HEADLO COC(=O)c1scc(C)c1S(=O)(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000785548959 1080053255 /nfs/dbraw/zinc/05/32/55/1080053255.db2.gz PXZDFHZJDRWGTI-UHFFFAOYSA-N 1 2 409.533 2.396 20 0 HEADLO CCCCC[C@@H](C)NC(=O)C[NH+]1CCN(c2ccc(NS(C)(=O)=O)cc2)CC1 ZINC000767747382 1080064472 /nfs/dbraw/zinc/06/44/72/1080064472.db2.gz VEUXDLWHZZDGDW-QGZVFWFLSA-N 1 2 410.584 2.265 20 0 HEADLO CC(C)(C)OC(=O)N1CCC[C@H](OCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000767748258 1080065617 /nfs/dbraw/zinc/06/56/17/1080065617.db2.gz CEGGLPRYDHFNFA-KRWDZBQOSA-N 1 2 404.511 2.146 20 0 HEADLO C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)[NH+]1CCN(c2ccc(NS(C)(=O)=O)cc2)CC1 ZINC000767753955 1080070548 /nfs/dbraw/zinc/07/05/48/1080070548.db2.gz ONZIWFXUSIAKHU-UWVAXJGDSA-N 1 2 422.595 2.264 20 0 HEADLO C[NH+](C)[C@@H](CNC(=O)C1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H](C1)C2=O)c1ccco1 ZINC000767770684 1080079968 /nfs/dbraw/zinc/07/99/68/1080079968.db2.gz KUUXUOBSCDFJEL-HMQMGEFJSA-N 1 2 419.522 2.461 20 0 HEADLO CC(C)C(=O)NCC[N@H+](C)[C@H](C)C(=O)Nc1ccccc1C(=O)NCc1ccco1 ZINC000767774510 1080081475 /nfs/dbraw/zinc/08/14/75/1080081475.db2.gz HDVZUDHFEMLRRP-MRXNPFEDSA-N 1 2 414.506 2.241 20 0 HEADLO CC(C)C(=O)NCC[N@@H+](C)[C@H](C)C(=O)Nc1ccccc1C(=O)NCc1ccco1 ZINC000767774510 1080081486 /nfs/dbraw/zinc/08/14/86/1080081486.db2.gz HDVZUDHFEMLRRP-MRXNPFEDSA-N 1 2 414.506 2.241 20 0 HEADLO O=C(OCc1cc(Cl)nc2ccccc12)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000785654191 1080110143 /nfs/dbraw/zinc/11/01/43/1080110143.db2.gz RVGNSIXYCGBEGD-OAHLLOKOSA-N 1 2 417.893 2.112 20 0 HEADLO O=C(OCc1c(Cl)ccc2cccnc21)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000785656163 1080175122 /nfs/dbraw/zinc/17/51/22/1080175122.db2.gz VPNAPDPPVCSPMZ-MRXNPFEDSA-N 1 2 417.893 2.112 20 0 HEADLO O=C(OCc1cc(Cl)cc2cccnc21)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000785662667 1080184177 /nfs/dbraw/zinc/18/41/77/1080184177.db2.gz LXEAFCGXIXTAJC-MRXNPFEDSA-N 1 2 417.893 2.112 20 0 HEADLO CCOC1CC(CNC(=O)N(C)Cc2ccc(OC)c(F)c2)([NH+]2CCOCC2)C1 ZINC000767894994 1080209952 /nfs/dbraw/zinc/20/99/52/1080209952.db2.gz AHXAKNGQBHREHK-UHFFFAOYSA-N 1 2 409.502 2.246 20 0 HEADLO O=C(C[N@@H+]1CCS[C@H]2COCC[C@@H]21)Nc1ccccc1C(=O)NCc1ccco1 ZINC000767910573 1080223876 /nfs/dbraw/zinc/22/38/76/1080223876.db2.gz FNJPDVPJGICZIN-OALUTQOASA-N 1 2 415.515 2.354 20 0 HEADLO O=C(C[N@H+]1CCS[C@H]2COCC[C@@H]21)Nc1ccccc1C(=O)NCc1ccco1 ZINC000767910573 1080223887 /nfs/dbraw/zinc/22/38/87/1080223887.db2.gz FNJPDVPJGICZIN-OALUTQOASA-N 1 2 415.515 2.354 20 0 HEADLO CC(C)(C)OC(=O)N1C[C@H]2CC(C(=O)N3CC(Oc4cc[nH+]cc4)C3)C[C@@H](C1)C2=O ZINC000767942544 1080235608 /nfs/dbraw/zinc/23/56/08/1080235608.db2.gz XZCKRKPSVKLBPZ-MQVJKMGUSA-N 1 2 415.490 2.133 20 0 HEADLO CC[C@]1(C)CC(=O)N(C[N@@H+]2CCC[C@@H](CNS(=O)(=O)c3ccc(C)cc3)C2)C1=O ZINC000767975365 1080244798 /nfs/dbraw/zinc/24/47/98/1080244798.db2.gz ZINCMXXFIULKJX-LAUBAEHRSA-N 1 2 421.563 2.118 20 0 HEADLO CC[C@]1(C)CC(=O)N(C[N@H+]2CCC[C@@H](CNS(=O)(=O)c3ccc(C)cc3)C2)C1=O ZINC000767975365 1080244803 /nfs/dbraw/zinc/24/48/03/1080244803.db2.gz ZINCMXXFIULKJX-LAUBAEHRSA-N 1 2 421.563 2.118 20 0 HEADLO CC(C)c1cc(NC(=O)C(=O)N[C@H](Cn2cc[nH+]c2)C(C)(C)C)n(-c2ncccn2)n1 ZINC000768003925 1080271549 /nfs/dbraw/zinc/27/15/49/1080271549.db2.gz SJCHMPRSTYHZCF-MRXNPFEDSA-N 1 2 424.509 2.152 20 0 HEADLO CN(C)C(=O)COc1ccc(C(F)(F)C(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)cc1 ZINC000768128874 1080361926 /nfs/dbraw/zinc/36/19/26/1080361926.db2.gz BHPQUDBIQRKRFG-HNNXBMFYSA-N 1 2 420.460 2.385 20 0 HEADLO CN(C)C(=O)COc1ccccc1C(F)(F)C(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000768129295 1080363706 /nfs/dbraw/zinc/36/37/06/1080363706.db2.gz VEOCQINUDHJKSX-HNNXBMFYSA-N 1 2 420.460 2.385 20 0 HEADLO CC(=O)N1CCC([NH+]2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)CC1 ZINC000768156140 1080375892 /nfs/dbraw/zinc/37/58/92/1080375892.db2.gz KILHHKTXEYVZJK-UHFFFAOYSA-N 1 2 420.362 2.311 20 0 HEADLO CCN(CC)S(=O)(=O)N1CC[NH+](Cc2c[nH]nc2-c2cccc(Cl)c2)CC1 ZINC000768219589 1080422935 /nfs/dbraw/zinc/42/29/35/1080422935.db2.gz KTCSCSCFXVWWRF-UHFFFAOYSA-N 1 2 411.959 2.434 20 0 HEADLO CCC[N@H+](CC(=O)N1CCN(C(=O)OCC)CC1)[C@@H](C)C(=O)Nc1ccccc1C ZINC000786127833 1080446736 /nfs/dbraw/zinc/44/67/36/1080446736.db2.gz SWVZELWDZFCTDC-SFHVURJKSA-N 1 2 418.538 2.335 20 0 HEADLO CCC[N@@H+](CC(=O)N1CCN(C(=O)OCC)CC1)[C@@H](C)C(=O)Nc1ccccc1C ZINC000786127833 1080446753 /nfs/dbraw/zinc/44/67/53/1080446753.db2.gz SWVZELWDZFCTDC-SFHVURJKSA-N 1 2 418.538 2.335 20 0 HEADLO Cc1ccc(N2CCNC2=O)cc1NC(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000786241622 1080516304 /nfs/dbraw/zinc/51/63/04/1080516304.db2.gz HPNDNSHBHQAHRR-GOSISDBHSA-N 1 2 401.511 2.243 20 0 HEADLO CC[NH+]1CCN(C(=O)[C@H](C)Sc2nnc(-c3cccc(OC(C)C)c3)n2N)CC1 ZINC000768455043 1080554189 /nfs/dbraw/zinc/55/41/89/1080554189.db2.gz RCBKBGQCXXJZBP-HNNXBMFYSA-N 1 2 418.567 2.091 20 0 HEADLO CCc1ccc([C@@]2(CC)NC(=O)N(C[N@@H+]3CCC[C@H](N4CCCC4=O)C3)C2=O)cc1 ZINC000768485860 1080578930 /nfs/dbraw/zinc/57/89/30/1080578930.db2.gz XVHSTXHPKFKWFE-WMZHIEFXSA-N 1 2 412.534 2.450 20 0 HEADLO CCc1ccc([C@@]2(CC)NC(=O)N(C[N@H+]3CCC[C@H](N4CCCC4=O)C3)C2=O)cc1 ZINC000768485860 1080578935 /nfs/dbraw/zinc/57/89/35/1080578935.db2.gz XVHSTXHPKFKWFE-WMZHIEFXSA-N 1 2 412.534 2.450 20 0 HEADLO COc1ccc(CCN2C(=O)C(=O)N(C[NH+]3CCC(c4cccnc4)CC3)C2=O)cc1 ZINC000768468890 1080587254 /nfs/dbraw/zinc/58/72/54/1080587254.db2.gz QQDRESIZRMSZTQ-UHFFFAOYSA-N 1 2 422.485 2.261 20 0 HEADLO C[N@@H+]1CCN(C(=O)Nc2ccc3oc(=O)ccc3c2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000768497739 1080593698 /nfs/dbraw/zinc/59/36/98/1080593698.db2.gz JWLIFAZYUQSDJU-MRXNPFEDSA-N 1 2 416.478 2.466 20 0 HEADLO C[N@H+]1CCN(C(=O)Nc2ccc3oc(=O)ccc3c2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000768497739 1080593705 /nfs/dbraw/zinc/59/37/05/1080593705.db2.gz JWLIFAZYUQSDJU-MRXNPFEDSA-N 1 2 416.478 2.466 20 0 HEADLO C[N@@H+]1CCN(C(=O)Nc2ccc3oc(=O)ccc3c2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000768497734 1080593729 /nfs/dbraw/zinc/59/37/29/1080593729.db2.gz JWLIFAZYUQSDJU-INIZCTEOSA-N 1 2 416.478 2.466 20 0 HEADLO C[N@H+]1CCN(C(=O)Nc2ccc3oc(=O)ccc3c2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000768497734 1080593736 /nfs/dbraw/zinc/59/37/36/1080593736.db2.gz JWLIFAZYUQSDJU-INIZCTEOSA-N 1 2 416.478 2.466 20 0 HEADLO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCCN1Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000768542841 1080619169 /nfs/dbraw/zinc/61/91/69/1080619169.db2.gz HVWYYLAALNUXON-IEBWSBKVSA-N 1 2 418.586 2.496 20 0 HEADLO CCOC(=O)c1ccc(Br)c(S(=O)(=O)N2C[C@@H](C)[N@H+](C)C[C@@H]2C)c1 ZINC000768562567 1080632361 /nfs/dbraw/zinc/63/23/61/1080632361.db2.gz OPUZDMJCBZSPRN-NEPJUHHUSA-N 1 2 419.341 2.339 20 0 HEADLO CCOC(=O)c1ccc(Br)c(S(=O)(=O)N2C[C@@H](C)[N@@H+](C)C[C@@H]2C)c1 ZINC000768562567 1080632364 /nfs/dbraw/zinc/63/23/64/1080632364.db2.gz OPUZDMJCBZSPRN-NEPJUHHUSA-N 1 2 419.341 2.339 20 0 HEADLO O=C(COC(=O)[C@H](O)c1ccccc1Cl)N1CC[NH+](Cc2ccsc2)CC1 ZINC000768599436 1080677125 /nfs/dbraw/zinc/67/71/25/1080677125.db2.gz MNMDIRRFRAGTNI-GOSISDBHSA-N 1 2 408.907 2.323 20 0 HEADLO CC(C)(C)OC(=O)N1CCN(c2ncc(NC(=O)c3cccc4[nH+]ccn43)cn2)CC1 ZINC000786664565 1080749942 /nfs/dbraw/zinc/74/99/42/1080749942.db2.gz BCMWWYNMYTVKKS-UHFFFAOYSA-N 1 2 423.477 2.434 20 0 HEADLO Cn1ncc2c1nc[nH+]c2N1CCN(S(=O)(=O)/C=C/c2cccc(Cl)c2)CC1 ZINC000768803614 1080779842 /nfs/dbraw/zinc/77/98/42/1080779842.db2.gz LZEGUZUXBLKDTO-BJMVGYQFSA-N 1 2 418.910 2.139 20 0 HEADLO CC(C)Nc1nc(N2CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)nc(NCCO)[nH+]1 ZINC000786799609 1080833444 /nfs/dbraw/zinc/83/34/44/1080833444.db2.gz GMXQSVHURAEWHR-LSDHHAIUSA-N 1 2 423.562 2.226 20 0 HEADLO c1cc2c(cn1)[nH+]c(N1CCCC3(C1)OCCO3)cc2N1CCCC2(C1)OCCO2 ZINC000786799635 1080833958 /nfs/dbraw/zinc/83/39/58/1080833958.db2.gz GYVPDILXLSYADZ-UHFFFAOYSA-N 1 2 412.490 2.316 20 0 HEADLO CCC1([NH+]2CCOCC2)CCN(C(=O)C2(S(=O)(=O)c3ccccc3)CC2)CC1 ZINC001169997879 1080877676 /nfs/dbraw/zinc/87/76/76/1080877676.db2.gz GNNDSYVMURUQHB-UHFFFAOYSA-N 1 2 406.548 2.096 20 0 HEADLO CCC1([NH+]2CCOCC2)CCN(C(=O)c2cc(S(C)(=O)=O)cc(C)c2C)CC1 ZINC001169997981 1080883349 /nfs/dbraw/zinc/88/33/49/1080883349.db2.gz IBQNMZOHXXOQED-UHFFFAOYSA-N 1 2 408.564 2.424 20 0 HEADLO CC(C)Oc1ccccc1COC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000786993772 1080902560 /nfs/dbraw/zinc/90/25/60/1080902560.db2.gz AVYUEMAMIUFBCK-HXUWFJFHSA-N 1 2 404.507 2.230 20 0 HEADLO O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)OCc1cc(F)cc2cccnc21 ZINC000787000015 1080913283 /nfs/dbraw/zinc/91/32/83/1080913283.db2.gz KJTWNYPEZYSDGB-LJQANCHMSA-N 1 2 415.465 2.130 20 0 HEADLO Cc1cc(C)cc(OCCCOC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)c1 ZINC000787001569 1080914239 /nfs/dbraw/zinc/91/42/39/1080914239.db2.gz SGPUTPDSSRZECI-NRFANRHFSA-N 1 2 418.534 2.329 20 0 HEADLO CCCCc1nc(COC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)cs1 ZINC000787003609 1080916849 /nfs/dbraw/zinc/91/68/49/1080916849.db2.gz ZJMVXIONVUXFJR-KRWDZBQOSA-N 1 2 409.552 2.242 20 0 HEADLO O=S(=O)(NCc1ccn2cc[nH+]c2c1)c1ccccc1S(=O)(=O)C(F)(F)F ZINC000786976347 1080934084 /nfs/dbraw/zinc/93/40/84/1080934084.db2.gz UNILBTJXUCNSPK-UHFFFAOYSA-N 1 2 419.406 2.106 20 0 HEADLO COc1cc(N[C@@H]2CCCN(C(=O)NCC[N@@H+]3CCO[C@H](C)C3)C2)cc(OC)c1 ZINC000769086838 1080934267 /nfs/dbraw/zinc/93/42/67/1080934267.db2.gz QSOZLNKYBWMKBG-IAGOWNOFSA-N 1 2 406.527 2.010 20 0 HEADLO COc1cc(N[C@@H]2CCCN(C(=O)NCC[N@H+]3CCO[C@H](C)C3)C2)cc(OC)c1 ZINC000769086838 1080934275 /nfs/dbraw/zinc/93/42/75/1080934275.db2.gz QSOZLNKYBWMKBG-IAGOWNOFSA-N 1 2 406.527 2.010 20 0 HEADLO O=C(NCc1nc(-c2ccccc2)n[nH]1)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000769121772 1080942847 /nfs/dbraw/zinc/94/28/47/1080942847.db2.gz TWWSMQPQSZNUMK-VQTJNVASSA-N 1 2 420.517 2.154 20 0 HEADLO O=C(NCc1nc(-c2ccccc2)n[nH]1)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC000769121772 1080942856 /nfs/dbraw/zinc/94/28/56/1080942856.db2.gz TWWSMQPQSZNUMK-VQTJNVASSA-N 1 2 420.517 2.154 20 0 HEADLO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)c2ccc(CNC(=O)OC(C)(C)C)o2)CC1 ZINC000746621557 1080944206 /nfs/dbraw/zinc/94/42/06/1080944206.db2.gz YNACYFSWCZRDOY-CQSZACIVSA-N 1 2 409.483 2.014 20 0 HEADLO CC(C)(C)OC(=O)N[C@H](C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1)C(C)(C)C ZINC000769144597 1080958946 /nfs/dbraw/zinc/95/89/46/1080958946.db2.gz XQNFLGOOWLWANI-FOIQADDNSA-N 1 2 415.600 2.250 20 0 HEADLO C[C@@H]1C[N@H+](CCNC(=O)[C@@H]2c3ccccc3CCN2C(=O)OC(C)(C)C)CCO1 ZINC000769163531 1080980664 /nfs/dbraw/zinc/98/06/64/1080980664.db2.gz BSRQHMODFFJPQF-APWZRJJASA-N 1 2 403.523 2.358 20 0 HEADLO C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2c3ccccc3CCN2C(=O)OC(C)(C)C)CCO1 ZINC000769163531 1080980678 /nfs/dbraw/zinc/98/06/78/1080980678.db2.gz BSRQHMODFFJPQF-APWZRJJASA-N 1 2 403.523 2.358 20 0 HEADLO CC(C)OCCCNC(=O)C1CC[NH+](Cc2cc(Br)nn2C)CC1 ZINC000787084498 1080988293 /nfs/dbraw/zinc/98/82/93/1080988293.db2.gz RYRVKVRNAJCEPI-UHFFFAOYSA-N 1 2 401.349 2.326 20 0 HEADLO CC(C)(C)OC(=O)c1ccccc1OCC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000769207676 1081002612 /nfs/dbraw/zinc/00/26/12/1081002612.db2.gz YIUNAFXIUKZMAS-LJQANCHMSA-N 1 2 404.507 2.344 20 0 HEADLO COc1ccc2[nH]c(C(=O)N3CC[N@H+](C)C[C@H]3CNC(=O)OC(C)(C)C)cc2c1 ZINC000787111926 1081004976 /nfs/dbraw/zinc/00/49/76/1081004976.db2.gz ALJBZNODAMSJAC-OAHLLOKOSA-N 1 2 402.495 2.457 20 0 HEADLO COc1ccc2[nH]c(C(=O)N3CC[N@@H+](C)C[C@H]3CNC(=O)OC(C)(C)C)cc2c1 ZINC000787111926 1081004987 /nfs/dbraw/zinc/00/49/87/1081004987.db2.gz ALJBZNODAMSJAC-OAHLLOKOSA-N 1 2 402.495 2.457 20 0 HEADLO Cc1ccc(N(C(=O)C[NH2+][C@@H](CCO)c2ccco2)[C@@H]2C=CS(=O)(=O)C2)cc1C ZINC000769221017 1081006268 /nfs/dbraw/zinc/00/62/68/1081006268.db2.gz LDEPEVFUZMOPPU-MOPGFXCFSA-N 1 2 418.515 2.253 20 0 HEADLO CC(C)(C)OC(=O)NC1CC[NH+](CC(=O)Nc2cnn(CC(F)(F)F)c2)CC1 ZINC000769226174 1081008851 /nfs/dbraw/zinc/00/88/51/1081008851.db2.gz VBHQUYNTONTIDV-UHFFFAOYSA-N 1 2 405.421 2.373 20 0 HEADLO CCNC(=O)c1ccc(NC(=O)N2CC[N@H+](C)C[C@H]2CNC(=O)OC(C)(C)C)cc1 ZINC000769237750 1081011972 /nfs/dbraw/zinc/01/19/72/1081011972.db2.gz QWMXPRHSKYUHRU-QGZVFWFLSA-N 1 2 419.526 2.109 20 0 HEADLO CCNC(=O)c1ccc(NC(=O)N2CC[N@@H+](C)C[C@H]2CNC(=O)OC(C)(C)C)cc1 ZINC000769237750 1081011980 /nfs/dbraw/zinc/01/19/80/1081011980.db2.gz QWMXPRHSKYUHRU-QGZVFWFLSA-N 1 2 419.526 2.109 20 0 HEADLO CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCN(CC(=O)Nc3cccc(F)c3)CC2)C1 ZINC000769279504 1081029707 /nfs/dbraw/zinc/02/97/07/1081029707.db2.gz WZUBJVCFTPQWCC-SFHVURJKSA-N 1 2 406.502 2.391 20 0 HEADLO Cc1ccc([C@H]2C[C@@H](C)N(C(=O)NC3CC[NH+](CCS(C)(=O)=O)CC3)C2)cc1 ZINC000787210729 1081064142 /nfs/dbraw/zinc/06/41/42/1081064142.db2.gz JYJBAOKVCWLCHB-MJGOQNOKSA-N 1 2 407.580 2.391 20 0 HEADLO C[C@H]1CN=C(N2CC[NH+](Cc3ccccc3OCC(=O)N3CCCC3)CC2)S1 ZINC000769488197 1081080612 /nfs/dbraw/zinc/08/06/12/1081080612.db2.gz NTTCDUYOFVLSFH-KRWDZBQOSA-N 1 2 402.564 2.297 20 0 HEADLO CCOCCOCC[N@H+](C)Cn1c2ccc(I)cc2oc1=O ZINC000787237230 1081084351 /nfs/dbraw/zinc/08/43/51/1081084351.db2.gz QPIJBKRKGYINBD-UHFFFAOYSA-N 1 2 420.247 2.142 20 0 HEADLO CCOCCOCC[N@@H+](C)Cn1c2ccc(I)cc2oc1=O ZINC000787237230 1081084355 /nfs/dbraw/zinc/08/43/55/1081084355.db2.gz QPIJBKRKGYINBD-UHFFFAOYSA-N 1 2 420.247 2.142 20 0 HEADLO Cc1nn(Cc2ccc(F)cc2)c(Cl)c1CN(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000769469111 1081089660 /nfs/dbraw/zinc/08/96/60/1081089660.db2.gz SJORCVOTFNLCKA-SFHVURJKSA-N 1 2 410.921 2.157 20 0 HEADLO COc1ccc(C(=O)Nc2cccc(CN3CC[NH+](CC[S@](C)=O)CC3)c2)cc1 ZINC000769478809 1081093088 /nfs/dbraw/zinc/09/30/88/1081093088.db2.gz FOIFSEDXNUWZMW-LJAQVGFWSA-N 1 2 415.559 2.444 20 0 HEADLO C[S@](=O)CC[NH+]1CCN(Cc2cn(-c3ccccc3)nc2-c2ccncc2)CC1 ZINC000769478911 1081093206 /nfs/dbraw/zinc/09/32/06/1081093206.db2.gz FUNIMOXACZIZGF-LJAQVGFWSA-N 1 2 409.559 2.430 20 0 HEADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)C(=O)N[C@@H]1CC[C@@H]2SCCS[C@H]12 ZINC000787298827 1081097778 /nfs/dbraw/zinc/09/77/78/1081097778.db2.gz QCVKPXIAJWDWQA-FGTMMUONSA-N 1 2 416.572 2.043 20 0 HEADLO C[N@H+](Cc1ccc(OCCN2CCOCC2)c(Cl)c1)CC(C)(C)S(C)(=O)=O ZINC000769525210 1081108283 /nfs/dbraw/zinc/10/82/83/1081108283.db2.gz QOKBHKJITYXKJD-UHFFFAOYSA-N 1 2 418.987 2.306 20 0 HEADLO C[N@@H+](Cc1ccc(OCCN2CCOCC2)c(Cl)c1)CC(C)(C)S(C)(=O)=O ZINC000769525210 1081108291 /nfs/dbraw/zinc/10/82/91/1081108291.db2.gz QOKBHKJITYXKJD-UHFFFAOYSA-N 1 2 418.987 2.306 20 0 HEADLO CCN(CCS(C)(=O)=O)C(=O)NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000769534187 1081113196 /nfs/dbraw/zinc/11/31/96/1081113196.db2.gz XXBJPHYVGOSXCN-OAHLLOKOSA-N 1 2 409.474 2.384 20 0 HEADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(SC)ncc1Cl ZINC001164703332 719844156 /nfs/dbraw/zinc/84/41/56/719844156.db2.gz QNXKJDJUDHKYSP-SJCJKPOMSA-N 1 2 400.932 2.085 20 0 HEADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(Cl)nc2c1SCC2 ZINC001164698619 719849859 /nfs/dbraw/zinc/84/98/59/719849859.db2.gz GGKBXKWEDCUGAZ-SGTLLEGYSA-N 1 2 412.943 2.011 20 0 HEADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(Cl)nc2c1SCC2 ZINC001164698617 719849872 /nfs/dbraw/zinc/84/98/72/719849872.db2.gz GGKBXKWEDCUGAZ-KZULUSFZSA-N 1 2 412.943 2.011 20 0 HEADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1[C@H](F)Oc1cccc(Cl)n1 ZINC001164698402 719854654 /nfs/dbraw/zinc/85/46/54/719854654.db2.gz BZUOGBFUAXUSJC-KKXDTOCCSA-N 1 2 401.866 2.095 20 0 HEADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1[C@H](F)Oc1ccc(Cl)nc1 ZINC001164700658 719854730 /nfs/dbraw/zinc/85/47/30/719854730.db2.gz ISEFPYRZPZZIPR-KKXDTOCCSA-N 1 2 401.866 2.095 20 0 HEADLO CCCN(CCC)c1cc(N2CC[C@@H]([NH+]3CCOCC3)C[C@]2(C)C(=O)OC)ncn1 ZINC001164704651 719862169 /nfs/dbraw/zinc/86/21/69/719862169.db2.gz SDCCGVMEDSCWLX-XMSQKQJNSA-N 1 2 419.570 2.336 20 0 HEADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc(C)nc(-c2ccco2)n1 ZINC001164707377 719872476 /nfs/dbraw/zinc/87/24/76/719872476.db2.gz RXCLPPLSTVKNMI-IIBYNOLFSA-N 1 2 400.479 2.278 20 0 HEADLO Cc1cc2ccccc2nc1N1CCc2c(C(=O)N3CC[NH+](C)CC3)nn(C)c2C1 ZINC001164703797 720047439 /nfs/dbraw/zinc/04/74/39/720047439.db2.gz MWGRMADTCGECPO-UHFFFAOYSA-N 1 2 404.518 2.227 20 0 HEADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cc(C)nc(Cl)c3)C2)C1 ZINC001164718884 720216069 /nfs/dbraw/zinc/21/60/69/720216069.db2.gz OEVLMLIPDXGWIB-GOSISDBHSA-N 1 2 416.900 2.253 20 0 HEADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cc(C)nc(Cl)c3)C2)C1 ZINC001164718884 720216075 /nfs/dbraw/zinc/21/60/75/720216075.db2.gz OEVLMLIPDXGWIB-GOSISDBHSA-N 1 2 416.900 2.253 20 0 HEADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cc(Cl)ncc3F)C2)C1 ZINC001164720026 720246689 /nfs/dbraw/zinc/24/66/89/720246689.db2.gz QPFDAVDQMFENAU-QGZVFWFLSA-N 1 2 420.863 2.084 20 0 HEADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cc(Cl)ncc3F)C2)C1 ZINC001164720026 720246701 /nfs/dbraw/zinc/24/67/01/720246701.db2.gz QPFDAVDQMFENAU-QGZVFWFLSA-N 1 2 420.863 2.084 20 0 HEADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nc(C)ncc4C)CC3)C2=O)cs1 ZINC001164826486 720366195 /nfs/dbraw/zinc/36/61/95/720366195.db2.gz VZEKOPYCESNMOJ-UHFFFAOYSA-N 1 2 400.552 2.172 20 0 HEADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nc(C)ncc4C)CC3)C2=O)cs1 ZINC001164826486 720366198 /nfs/dbraw/zinc/36/61/98/720366198.db2.gz VZEKOPYCESNMOJ-UHFFFAOYSA-N 1 2 400.552 2.172 20 0 HEADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ncc(C5CC5)cn4)CC3)C2=O)cs1 ZINC001164820760 720371975 /nfs/dbraw/zinc/37/19/75/720371975.db2.gz UCNSFRKAVMXRGS-UHFFFAOYSA-N 1 2 412.563 2.432 20 0 HEADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ncc(C5CC5)cn4)CC3)C2=O)cs1 ZINC001164820760 720371985 /nfs/dbraw/zinc/37/19/85/720371985.db2.gz UCNSFRKAVMXRGS-UHFFFAOYSA-N 1 2 412.563 2.432 20 0 HEADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1cc(Cl)ncc1F)C2 ZINC001164822468 720449718 /nfs/dbraw/zinc/44/97/18/720449718.db2.gz FQZSAJIIYRCDDP-CQSZACIVSA-N 1 2 409.893 2.060 20 0 HEADLO CCOC(=O)c1cnc(C2CC2)nc1N1CCCn2c(C[N@H+](C)C(C)C)nnc2C1 ZINC001165010386 721703700 /nfs/dbraw/zinc/70/37/00/721703700.db2.gz HVJKCXIKMMRRIS-UHFFFAOYSA-N 1 2 413.526 2.373 20 0 HEADLO CCOC(=O)c1cnc(C2CC2)nc1N1CCCn2c(C[N@@H+](C)C(C)C)nnc2C1 ZINC001165010386 721703701 /nfs/dbraw/zinc/70/37/01/721703701.db2.gz HVJKCXIKMMRRIS-UHFFFAOYSA-N 1 2 413.526 2.373 20 0 HEADLO Cn1cc(C(=O)N[C@@H]2C[N@@H+](C(C)(C)c3ccnc(Cl)c3)[C@@H]3CCCO[C@@H]23)cn1 ZINC001165013749 721758858 /nfs/dbraw/zinc/75/88/58/721758858.db2.gz RVBBBOLYISMVMV-NUJGCVRESA-N 1 2 403.914 2.365 20 0 HEADLO Cn1cc(C(=O)N[C@@H]2C[N@H+](C(C)(C)c3ccnc(Cl)c3)[C@@H]3CCCO[C@@H]23)cn1 ZINC001165013749 721758860 /nfs/dbraw/zinc/75/88/60/721758860.db2.gz RVBBBOLYISMVMV-NUJGCVRESA-N 1 2 403.914 2.365 20 0 HEADLO CSc1ncc(Cl)c(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164912982 721772446 /nfs/dbraw/zinc/77/24/46/721772446.db2.gz SNYWESLXUKQHDA-IBGZPJMESA-N 1 2 421.954 2.355 20 0 HEADLO CSc1ncc(Cl)c(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164912982 721772450 /nfs/dbraw/zinc/77/24/50/721772450.db2.gz SNYWESLXUKQHDA-IBGZPJMESA-N 1 2 421.954 2.355 20 0 HEADLO F[C@H](Oc1cccc(Cl)n1)N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164915656 721782655 /nfs/dbraw/zinc/78/26/55/721782655.db2.gz MOBLGUNFCCZGRM-PMACEKPBSA-N 1 2 422.888 2.365 20 0 HEADLO F[C@H](Oc1cccc(Cl)n1)N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164915656 721782659 /nfs/dbraw/zinc/78/26/59/721782659.db2.gz MOBLGUNFCCZGRM-PMACEKPBSA-N 1 2 422.888 2.365 20 0 HEADLO CSc1cnc(Cl)nc1N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164915984 721785047 /nfs/dbraw/zinc/78/50/47/721785047.db2.gz MVBVLHFBPBYUCR-IBGZPJMESA-N 1 2 421.954 2.355 20 0 HEADLO CSc1cnc(Cl)nc1N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164915984 721785050 /nfs/dbraw/zinc/78/50/50/721785050.db2.gz MVBVLHFBPBYUCR-IBGZPJMESA-N 1 2 421.954 2.355 20 0 HEADLO c1cncc(C[N@@H+]2CCOC[C@]3(CN(c4cc(-c5ccncc5)ncn4)CCO3)C2)c1 ZINC001164914672 721795366 /nfs/dbraw/zinc/79/53/66/721795366.db2.gz PORVGGAONCAMKQ-HSZRJFAPSA-N 1 2 418.501 2.041 20 0 HEADLO c1cncc(C[N@H+]2CCOC[C@]3(CN(c4cc(-c5ccncc5)ncn4)CCO3)C2)c1 ZINC001164914672 721795373 /nfs/dbraw/zinc/79/53/73/721795373.db2.gz PORVGGAONCAMKQ-HSZRJFAPSA-N 1 2 418.501 2.041 20 0 HEADLO CSCc1ccc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nc1 ZINC001164915026 721797557 /nfs/dbraw/zinc/79/75/57/721797557.db2.gz UGFFIDQHBKXZIW-NRFANRHFSA-N 1 2 400.548 2.447 20 0 HEADLO CSCc1ccc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nc1 ZINC001164915026 721797558 /nfs/dbraw/zinc/79/75/58/721797558.db2.gz UGFFIDQHBKXZIW-NRFANRHFSA-N 1 2 400.548 2.447 20 0 HEADLO COC(=O)c1ccc2c(c1)ncnc2N1CCC2(CC1)c1[nH+]cc(C)n1CCN2C ZINC001164919490 721813263 /nfs/dbraw/zinc/81/32/63/721813263.db2.gz YHYWCQPOBPRGLW-UHFFFAOYSA-N 1 2 406.490 2.362 20 0 HEADLO COC(=O)[C@@H](C)c1c(Cl)ncnc1N1CCC2(CC1)c1[nH+]cc(C)n1CCN2C ZINC001164919274 721821863 /nfs/dbraw/zinc/82/18/63/721821863.db2.gz OQHXUMGTOFGMGA-AWEZNQCLSA-N 1 2 418.929 2.353 20 0 HEADLO COc1cnc(SC)nc1N1CCC2(CC1)C(=O)NCC[N@H+]2Cc1ccccc1 ZINC001164946801 721969646 /nfs/dbraw/zinc/96/96/46/721969646.db2.gz WKLWXPOMSTXIFX-UHFFFAOYSA-N 1 2 413.547 2.178 20 0 HEADLO COc1cnc(SC)nc1N1CCC2(CC1)C(=O)NCC[N@@H+]2Cc1ccccc1 ZINC001164946801 721969648 /nfs/dbraw/zinc/96/96/48/721969648.db2.gz WKLWXPOMSTXIFX-UHFFFAOYSA-N 1 2 413.547 2.178 20 0 HEADLO CCCNC(=O)c1cccnc1N1CCC2(CC1)C(=O)NCC[N@H+]2Cc1ccccc1 ZINC001164947722 721977945 /nfs/dbraw/zinc/97/79/45/721977945.db2.gz RIWILGJRJCSSOX-UHFFFAOYSA-N 1 2 421.545 2.192 20 0 HEADLO CCCNC(=O)c1cccnc1N1CCC2(CC1)C(=O)NCC[N@@H+]2Cc1ccccc1 ZINC001164947722 721977948 /nfs/dbraw/zinc/97/79/48/721977948.db2.gz RIWILGJRJCSSOX-UHFFFAOYSA-N 1 2 421.545 2.192 20 0 HEADLO Cn1ccnc1C(=O)N[C@@H]1C[N@@H+](C(C)(C)c2ccnc(Cl)c2)[C@@H]2CCCO[C@@H]12 ZINC001164984970 722093946 /nfs/dbraw/zinc/09/39/46/722093946.db2.gz YHMNDQZNAINLKJ-INMHGKMJSA-N 1 2 403.914 2.365 20 0 HEADLO Cn1ccnc1C(=O)N[C@@H]1C[N@H+](C(C)(C)c2ccnc(Cl)c2)[C@@H]2CCCO[C@@H]12 ZINC001164984970 722093948 /nfs/dbraw/zinc/09/39/48/722093948.db2.gz YHMNDQZNAINLKJ-INMHGKMJSA-N 1 2 403.914 2.365 20 0 HEADLO CN(C(=O)OC(C)(C)C)[C@@H](C(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1)c1cnn(C)c1 ZINC000769769041 1078547619 /nfs/dbraw/zinc/54/76/19/1078547619.db2.gz FVDFMXDWDIBLRY-NVXWUHKLSA-N 1 2 416.526 2.468 20 0 HEADLO C[C@@H](C(=O)NC(=O)NCC(F)(F)F)[NH+]1CCC(O)(c2ccccc2Cl)CC1 ZINC000769806313 1078570963 /nfs/dbraw/zinc/57/09/63/1078570963.db2.gz JCHSIKGDGPKZFD-NSHDSACASA-N 1 2 407.820 2.400 20 0 HEADLO CC(C)(C)NC(=O)CNC(=O)C[NH+]1CCC(O)(c2ccccc2C(F)(F)F)CC1 ZINC000769830296 1078592408 /nfs/dbraw/zinc/59/24/08/1078592408.db2.gz AJCLFPSTZVVEAT-UHFFFAOYSA-N 1 2 415.456 2.020 20 0 HEADLO Cc1ccc(N2CCC[C@H](NC(=O)NC[C@]3([NH+]4CCOCC4)CCSC3)C2)cc1 ZINC000745737020 1078622979 /nfs/dbraw/zinc/62/29/79/1078622979.db2.gz MYZJXWRUBLAWQQ-SIKLNZKXSA-N 1 2 418.607 2.471 20 0 HEADLO C[C@H](c1cccc(F)c1)[NH+]1CCN(CC(=O)NC2CCC3(CC2)OCCO3)CC1 ZINC000769919373 1078634912 /nfs/dbraw/zinc/63/49/12/1078634912.db2.gz UYSCKAVXPSBERH-QGZVFWFLSA-N 1 2 405.514 2.306 20 0 HEADLO C[C@H]1C[N@H+](CCNC(=O)NCCOc2ncc(C(F)(F)F)cc2Cl)CCO1 ZINC000745794303 1078650545 /nfs/dbraw/zinc/65/05/45/1078650545.db2.gz YRIHKLSXXBWXPV-NSHDSACASA-N 1 2 410.824 2.153 20 0 HEADLO C[C@H]1C[N@@H+](CCNC(=O)NCCOc2ncc(C(F)(F)F)cc2Cl)CCO1 ZINC000745794303 1078650547 /nfs/dbraw/zinc/65/05/47/1078650547.db2.gz YRIHKLSXXBWXPV-NSHDSACASA-N 1 2 410.824 2.153 20 0 HEADLO O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)N1CCC2(CCCC2)C1 ZINC000745817486 1078658813 /nfs/dbraw/zinc/65/88/13/1078658813.db2.gz ZVMUKCBKLZFDLM-SFHVURJKSA-N 1 2 414.554 2.258 20 0 HEADLO O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)N1CCC2(CCCC2)C1 ZINC000745817486 1078658816 /nfs/dbraw/zinc/65/88/16/1078658816.db2.gz ZVMUKCBKLZFDLM-SFHVURJKSA-N 1 2 414.554 2.258 20 0 HEADLO CCC(=O)N1CCCN(C(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)CC1 ZINC000745869470 1078667995 /nfs/dbraw/zinc/66/79/95/1078667995.db2.gz PSFGYFMJFCBYPR-UHFFFAOYSA-N 1 2 401.555 2.375 20 0 HEADLO CCS(=O)(=O)C[C@@H](C)N(C)C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000745870076 1078668538 /nfs/dbraw/zinc/66/85/38/1078668538.db2.gz ZAKUTZSJFQOLNJ-MRXNPFEDSA-N 1 2 410.584 2.186 20 0 HEADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)Nc2ccc3c(c2)CCCN3C)CC1 ZINC000144996502 1078681243 /nfs/dbraw/zinc/68/12/43/1078681243.db2.gz SOYJCVNDZLJSMC-UHFFFAOYSA-N 1 2 406.494 2.100 20 0 HEADLO CC(C)[N@H+](CC(=O)NN1C(=O)N[C@](C)(CCc2ccccc2)C1=O)Cc1ccco1 ZINC000746109754 1078789427 /nfs/dbraw/zinc/78/94/27/1078789427.db2.gz VGCPQRQBJNNKSK-JOCHJYFZSA-N 1 2 412.490 2.465 20 0 HEADLO CC(C)[N@@H+](CC(=O)NN1C(=O)N[C@](C)(CCc2ccccc2)C1=O)Cc1ccco1 ZINC000746109754 1078789436 /nfs/dbraw/zinc/78/94/36/1078789436.db2.gz VGCPQRQBJNNKSK-JOCHJYFZSA-N 1 2 412.490 2.465 20 0 HEADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000770260835 1078794446 /nfs/dbraw/zinc/79/44/46/1078794446.db2.gz PSSBBJAWBVCRPS-OAHLLOKOSA-N 1 2 405.499 2.358 20 0 HEADLO O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)Nc1cccnc1Br ZINC000770288687 1078809282 /nfs/dbraw/zinc/80/92/82/1078809282.db2.gz CZNOOTCJIZLSNU-HNNXBMFYSA-N 1 2 401.330 2.174 20 0 HEADLO C[C@H](CNC(=O)C[C@H](NC(=O)OC(C)(C)C)c1ccccc1)[NH+]1CCN(C)CC1 ZINC000746162097 1078813224 /nfs/dbraw/zinc/81/32/24/1078813224.db2.gz WKKXWFWRUMLJDR-MJGOQNOKSA-N 1 2 404.555 2.395 20 0 HEADLO CC[NH+](CC)[C@H](C(=O)N1CCO[C@H](c2nn[nH]n2)C1)c1cccc(C(F)(F)F)c1 ZINC000746236343 1078828328 /nfs/dbraw/zinc/82/83/28/1078828328.db2.gz FZDPMQBJYJPZOL-GJZGRUSLSA-N 1 2 412.416 2.202 20 0 HEADLO O=C(NCCN1C(=O)S/C(=C/c2ccccc2F)C1=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000746285553 1078836000 /nfs/dbraw/zinc/83/60/00/1078836000.db2.gz RFDQSQGQKOLBDJ-DSQDWWTGSA-N 1 2 414.462 2.437 20 0 HEADLO O=C(c1cccc2[nH+]ccn21)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 ZINC000770399334 1078842631 /nfs/dbraw/zinc/84/26/31/1078842631.db2.gz FZAMCQHFLXNQSC-UHFFFAOYSA-N 1 2 404.879 2.134 20 0 HEADLO Cc1ccc(S(=O)(=O)NC[C@@H]2CCCN(C(=O)c3cccc4[nH+]ccn43)C2)cc1 ZINC000770416653 1078845893 /nfs/dbraw/zinc/84/58/93/1078845893.db2.gz WEHAAMMFZUWILX-KRWDZBQOSA-N 1 2 412.515 2.473 20 0 HEADLO CCOC(=O)c1n[nH]c(C2CCN(C(=O)NCc3[nH+]cc(C)c(OC)c3C)CC2)n1 ZINC000770440430 1078855176 /nfs/dbraw/zinc/85/51/76/1078855176.db2.gz LJUXLDODEDUGTL-UHFFFAOYSA-N 1 2 416.482 2.091 20 0 HEADLO CC(C)[C@@H](C(=O)N1CCC([N@H+](C)CC(F)F)CC1)N1C(=O)c2ccccc2C1=O ZINC000746320488 1078857643 /nfs/dbraw/zinc/85/76/43/1078857643.db2.gz QOMFUJCWQCDFIZ-SFHVURJKSA-N 1 2 407.461 2.495 20 0 HEADLO CC(C)[C@@H](C(=O)N1CCC([N@@H+](C)CC(F)F)CC1)N1C(=O)c2ccccc2C1=O ZINC000746320488 1078857648 /nfs/dbraw/zinc/85/76/48/1078857648.db2.gz QOMFUJCWQCDFIZ-SFHVURJKSA-N 1 2 407.461 2.495 20 0 HEADLO Cn1cc(C[C@@H]2CC(=O)N(C[N@H+](C)CCCOc3cccc(Cl)c3)C2=O)cn1 ZINC000746372288 1078880495 /nfs/dbraw/zinc/88/04/95/1078880495.db2.gz FQXVYEFNVUIYNE-MRXNPFEDSA-N 1 2 404.898 2.350 20 0 HEADLO Cn1cc(C[C@@H]2CC(=O)N(C[N@@H+](C)CCCOc3cccc(Cl)c3)C2=O)cn1 ZINC000746372288 1078880497 /nfs/dbraw/zinc/88/04/97/1078880497.db2.gz FQXVYEFNVUIYNE-MRXNPFEDSA-N 1 2 404.898 2.350 20 0 HEADLO COc1ccc([C@H]2CCC[N@@H+]2CN2C(=O)C[C@@H](Cc3cnn(C)c3)C2=O)c(OC)c1 ZINC000746373851 1078880531 /nfs/dbraw/zinc/88/05/31/1078880531.db2.gz BZMUVGAPQHWJTN-VQIMIIECSA-N 1 2 412.490 2.150 20 0 HEADLO COc1ccc([C@H]2CCC[N@H+]2CN2C(=O)C[C@@H](Cc3cnn(C)c3)C2=O)c(OC)c1 ZINC000746373851 1078880535 /nfs/dbraw/zinc/88/05/35/1078880535.db2.gz BZMUVGAPQHWJTN-VQIMIIECSA-N 1 2 412.490 2.150 20 0 HEADLO Cn1cc(C[C@H]2CC(=O)N(C[N@H+](C)CCCOc3ccc(Cl)cc3)C2=O)cn1 ZINC000746373522 1078881178 /nfs/dbraw/zinc/88/11/78/1078881178.db2.gz UPLIAICCBSJYEQ-INIZCTEOSA-N 1 2 404.898 2.350 20 0 HEADLO Cn1cc(C[C@H]2CC(=O)N(C[N@@H+](C)CCCOc3ccc(Cl)cc3)C2=O)cn1 ZINC000746373522 1078881179 /nfs/dbraw/zinc/88/11/79/1078881179.db2.gz UPLIAICCBSJYEQ-INIZCTEOSA-N 1 2 404.898 2.350 20 0 HEADLO Cn1cc(C[C@@H]2CC(=O)N(C[N@H+](C)CCc3ccc(Br)cc3)C2=O)cn1 ZINC000746378828 1078883791 /nfs/dbraw/zinc/88/37/91/1078883791.db2.gz XABKRJWTXJGPAB-MRXNPFEDSA-N 1 2 419.323 2.232 20 0 HEADLO Cn1cc(C[C@@H]2CC(=O)N(C[N@@H+](C)CCc3ccc(Br)cc3)C2=O)cn1 ZINC000746378828 1078883794 /nfs/dbraw/zinc/88/37/94/1078883794.db2.gz XABKRJWTXJGPAB-MRXNPFEDSA-N 1 2 419.323 2.232 20 0 HEADLO COC(=O)CN(CC[NH+]1CCOCC1)Cn1c(-c2ccccc2)nsc1=S ZINC000746380601 1078885955 /nfs/dbraw/zinc/88/59/55/1078885955.db2.gz PZEAYIKXQPKFRI-UHFFFAOYSA-N 1 2 408.549 2.106 20 0 HEADLO CCOC(=O)N1CC[C@H](NC(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)C1 ZINC000770530550 1078886199 /nfs/dbraw/zinc/88/61/99/1078886199.db2.gz AULFIQYVEDZRAG-KRWDZBQOSA-N 1 2 403.527 2.251 20 0 HEADLO CCOC(=O)N1CC[C@@H](NC(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)C1 ZINC000770530551 1078886248 /nfs/dbraw/zinc/88/62/48/1078886248.db2.gz AULFIQYVEDZRAG-QGZVFWFLSA-N 1 2 403.527 2.251 20 0 HEADLO Cc1nc(CSc2nnc(-c3ccc(F)cc3)n2CC[NH+]2CCOCC2)no1 ZINC000105254982 1078897479 /nfs/dbraw/zinc/89/74/79/1078897479.db2.gz OTUZASZEEOBXKQ-UHFFFAOYSA-N 1 2 404.471 2.400 20 0 HEADLO Cc1nnnn1/C(=C/c1ccc(F)cc1)C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000770667121 1078925572 /nfs/dbraw/zinc/92/55/72/1078925572.db2.gz SJNCRCNKHWLIMX-CPNJWEJPSA-N 1 2 423.452 2.297 20 0 HEADLO O=C([C@@H](O)c1ccccn1)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000804269918 1078940892 /nfs/dbraw/zinc/94/08/92/1078940892.db2.gz FKARVQRSPVGWOA-INIZCTEOSA-N 1 2 405.252 2.396 20 0 HEADLO CC(C)(C)n1ncc2c1nc[nH+]c2NC[C@@H](O)COc1ccc2c(c1)CCC(=O)N2 ZINC000766405175 1078955225 /nfs/dbraw/zinc/95/52/25/1078955225.db2.gz RJSYDGOYDJIJEE-CQSZACIVSA-N 1 2 410.478 2.318 20 0 HEADLO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc(S(C)(=O)=O)sc2Cl)C[C@@H]1C ZINC000770690470 1078958959 /nfs/dbraw/zinc/95/89/59/1078958959.db2.gz YKRGYKALGRTQGI-WDEREUQCSA-N 1 2 415.002 2.298 20 0 HEADLO CC[N@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc(S(C)(=O)=O)sc2Cl)C[C@@H]1C ZINC000770690470 1078958967 /nfs/dbraw/zinc/95/89/67/1078958967.db2.gz YKRGYKALGRTQGI-WDEREUQCSA-N 1 2 415.002 2.298 20 0 HEADLO CS(=O)(=O)c1ccc([C@@H](O)C[NH+]2CCC(O)(Cc3cccc(F)c3)CC2)cc1 ZINC000770704024 1078972545 /nfs/dbraw/zinc/97/25/45/1078972545.db2.gz URGZJHGRRWUYEZ-FQEVSTJZSA-N 1 2 407.507 2.332 20 0 HEADLO C[C@H](C(=O)Nc1sccc1C(N)=O)[NH+]1CCC(O)(Cc2cccc(F)c2)CC1 ZINC000770704071 1078972329 /nfs/dbraw/zinc/97/23/29/1078972329.db2.gz XFZKJWNEAMECNR-CYBMUJFWSA-N 1 2 405.495 2.383 20 0 HEADLO CNS(=O)(=O)c1cccc(NC(=O)C[NH2+]Cc2ncc(-c3ccccc3)s2)c1 ZINC000770734927 1078995480 /nfs/dbraw/zinc/99/54/80/1078995480.db2.gz YHXUSXGSBQKWSE-UHFFFAOYSA-N 1 2 416.528 2.447 20 0 HEADLO O=C(CCn1cc[nH+]c1)Nc1cccc(C(=O)N[C@@H](CO)C[C@@H](O)c2ccccc2)c1 ZINC000770848558 1079036682 /nfs/dbraw/zinc/03/66/82/1079036682.db2.gz FFIBWATYGBDCPW-NHCUHLMSSA-N 1 2 422.485 2.126 20 0 HEADLO Cc1c[nH]c(CNC(=O)C[N@H+](CCNC(=O)OC(C)(C)C)Cc2ccccc2)n1 ZINC001168833674 1079049211 /nfs/dbraw/zinc/04/92/11/1079049211.db2.gz SNOTYOBXEKFLJW-UHFFFAOYSA-N 1 2 401.511 2.361 20 0 HEADLO Cc1c[nH]c(CNC(=O)C[N@@H+](CCNC(=O)OC(C)(C)C)Cc2ccccc2)n1 ZINC001168833674 1079049218 /nfs/dbraw/zinc/04/92/18/1079049218.db2.gz SNOTYOBXEKFLJW-UHFFFAOYSA-N 1 2 401.511 2.361 20 0 HEADLO O=C(OCc1cccc2[nH+]ccn21)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 ZINC000770927189 1079083538 /nfs/dbraw/zinc/08/35/38/1079083538.db2.gz XHNWTXSNARSNGX-UHFFFAOYSA-N 1 2 424.482 2.239 20 0 HEADLO O=C(Nc1ccc(C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)cc1)OCC(F)(F)F ZINC000771032163 1079110384 /nfs/dbraw/zinc/11/03/84/1079110384.db2.gz JCBHDHRHBXEJCY-OAHLLOKOSA-N 1 2 401.385 2.344 20 0 HEADLO COC[C@H]([NH2+][C@@H](C)C(=O)Nc1cc(C(=O)OC)ccc1C(=O)OC)c1ccc(C)o1 ZINC001169101448 1079129534 /nfs/dbraw/zinc/12/95/34/1079129534.db2.gz CDEOECLCFFZBRB-GUYCJALGSA-N 1 2 418.446 2.466 20 0 HEADLO COC(=O)C[C@@]1(NC(=O)Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)CCCOC1 ZINC000771142630 1079191170 /nfs/dbraw/zinc/19/11/70/1079191170.db2.gz CIVWYDWYVUQICS-KKSFZXQISA-N 1 2 405.495 2.314 20 0 HEADLO C[C@H](CN1CCOCC1)OC(=O)c1ccccc1S[C@@H](C)C[NH+]1CCOCC1 ZINC000771185584 1079213282 /nfs/dbraw/zinc/21/32/82/1079213282.db2.gz KYFBAEOMSADFSS-MSOLQXFVSA-N 1 2 408.564 2.377 20 0 HEADLO COC(=O)Cc1c(C(=O)OC)sc2[nH]c(C[N@@H+]3CCCCC[C@H]3C)nc(=O)c12 ZINC001169461081 1079306611 /nfs/dbraw/zinc/30/66/11/1079306611.db2.gz BZOWWTRCAXKWPV-LLVKDONJSA-N 1 2 407.492 2.251 20 0 HEADLO COC(=O)Cc1c(C(=O)OC)sc2[nH]c(C[N@H+]3CCCCC[C@H]3C)nc(=O)c12 ZINC001169461081 1079306617 /nfs/dbraw/zinc/30/66/17/1079306617.db2.gz BZOWWTRCAXKWPV-LLVKDONJSA-N 1 2 407.492 2.251 20 0 HEADLO NC(=O)c1nc(Cl)nc(N[C@H]2C[C@@H](C(=O)OCc3ccccc3)CCC[NH2+]2)c1F ZINC001169510691 1079317990 /nfs/dbraw/zinc/31/79/90/1079317990.db2.gz GHDFOFAYGUOFBP-STQMWFEESA-N 1 2 421.860 2.239 20 0 HEADLO O=C(CNc1ncccc1C(=O)N1CC[NH+](Cc2ccccc2)CC1)N1CCCC1 ZINC001156347047 1079353019 /nfs/dbraw/zinc/35/30/19/1079353019.db2.gz WCVTVAORKHNGGD-UHFFFAOYSA-N 1 2 407.518 2.074 20 0 HEADLO CCOC(=O)N1CCC[C@@H]([NH+]2CCN(S(=O)(=O)c3cccc(F)c3)CC2)CC1 ZINC001169680804 1079365994 /nfs/dbraw/zinc/36/59/94/1079365994.db2.gz CXBZAIGZRNWAIP-QGZVFWFLSA-N 1 2 413.515 2.143 20 0 HEADLO CCOC(=O)C1=C(C[N@H+]2CC=C(c3ccc4c(c3)OCCO4)CC2)NC(=O)N[C@@H]1C ZINC000771465855 1079362266 /nfs/dbraw/zinc/36/22/66/1079362266.db2.gz WJENTFSVKMPCRC-CQSZACIVSA-N 1 2 413.474 2.065 20 0 HEADLO CCOC(=O)C1=C(C[N@@H+]2CC=C(c3ccc4c(c3)OCCO4)CC2)NC(=O)N[C@@H]1C ZINC000771465855 1079362272 /nfs/dbraw/zinc/36/22/72/1079362272.db2.gz WJENTFSVKMPCRC-CQSZACIVSA-N 1 2 413.474 2.065 20 0 HEADLO CC(C)(C)OC(=O)[C@@H]1CC(C(=O)N[C@H]2CCc3c[nH+]cn3C2)=NN1c1ccccc1 ZINC000804335228 1079369722 /nfs/dbraw/zinc/36/97/22/1079369722.db2.gz VCUXKLSKZYQLSM-KXBFYZLASA-N 1 2 409.490 2.291 20 0 HEADLO CCOC(=O)N1CCC[C@@H]([N@@H+]2C[C@@H](NC(=O)OC(C)(C)C)C[C@H]2C(=O)OC)CC1 ZINC001169710477 1079381673 /nfs/dbraw/zinc/38/16/73/1079381673.db2.gz ONHZHPBAMQOSIB-XHSDSOJGSA-N 1 2 413.515 2.138 20 0 HEADLO CCOC(=O)N1CCC[C@@H]([N@H+]2C[C@@H](NC(=O)OC(C)(C)C)C[C@H]2C(=O)OC)CC1 ZINC001169710477 1079381682 /nfs/dbraw/zinc/38/16/82/1079381682.db2.gz ONHZHPBAMQOSIB-XHSDSOJGSA-N 1 2 413.515 2.138 20 0 HEADLO COC(=O)C(C)(C)[C@H]1CCC[N@H+](CN2C(=O)N[C@]3(CC(C)(C)OC3(C)C)C2=O)C1 ZINC000771632074 1079440344 /nfs/dbraw/zinc/44/03/44/1079440344.db2.gz PIYKVBSAOOWIQG-LHSJRXKWSA-N 1 2 409.527 2.123 20 0 HEADLO COC(=O)C(C)(C)[C@H]1CCC[N@@H+](CN2C(=O)N[C@]3(CC(C)(C)OC3(C)C)C2=O)C1 ZINC000771632074 1079440347 /nfs/dbraw/zinc/44/03/47/1079440347.db2.gz PIYKVBSAOOWIQG-LHSJRXKWSA-N 1 2 409.527 2.123 20 0 HEADLO CCC[C@H]1CN(S(=O)(=O)c2ccc(F)c(C(=O)OCC)c2)CC[N@@H+]1CCOC ZINC000766853760 1079441276 /nfs/dbraw/zinc/44/12/76/1079441276.db2.gz KSSTYGVHAZOEJP-HNNXBMFYSA-N 1 2 416.515 2.124 20 0 HEADLO CCC[C@H]1CN(S(=O)(=O)c2ccc(F)c(C(=O)OCC)c2)CC[N@H+]1CCOC ZINC000766853760 1079441283 /nfs/dbraw/zinc/44/12/83/1079441283.db2.gz KSSTYGVHAZOEJP-HNNXBMFYSA-N 1 2 416.515 2.124 20 0 HEADLO COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)OCc2cccc3[nH+]ccn32)C1=O ZINC000771635959 1079443509 /nfs/dbraw/zinc/44/35/09/1079443509.db2.gz GXOFRCTXSNINCY-QFIPXVFZSA-N 1 2 422.441 2.162 20 0 HEADLO Cc1cccc(CO[C@H]2C[C@@H]3C[N@@H+](C4CCC(S(C)(=O)=O)CC4)CCN3C2)n1 ZINC001169882540 1079457021 /nfs/dbraw/zinc/45/70/21/1079457021.db2.gz NWPKYELJUKGAKA-YZDRJCRTSA-N 1 2 407.580 2.021 20 0 HEADLO Cc1cccc(CO[C@H]2C[C@@H]3C[N@H+](C4CCC(S(C)(=O)=O)CC4)CCN3C2)n1 ZINC001169882540 1079457034 /nfs/dbraw/zinc/45/70/34/1079457034.db2.gz NWPKYELJUKGAKA-YZDRJCRTSA-N 1 2 407.580 2.021 20 0 HEADLO CC(C)(C)OC(=O)N1CC[C@@](C)(O)[C@@H]([NH+]2CCN(C(=O)Cc3ccccc3)CC2)C1 ZINC001169909090 1079473847 /nfs/dbraw/zinc/47/38/47/1079473847.db2.gz XUGAQLOCWHPRPW-WMZHIEFXSA-N 1 2 417.550 2.134 20 0 HEADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)[C@H]1CSCN1C(=O)OC(C)(C)C ZINC000771754551 1079484134 /nfs/dbraw/zinc/48/41/34/1079484134.db2.gz USLZFXCUSNYZCH-OAHLLOKOSA-N 1 2 408.524 2.475 20 0 HEADLO O=C(/C=C/Sc1ccccc1)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000737750267 1075922717 /nfs/dbraw/zinc/92/27/17/1075922717.db2.gz CJPQGWPJXYNFTE-GIDUJCDVSA-N 1 2 411.531 2.268 20 0 HEADLO O=C(/C=C/Sc1ccccc1)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000737750267 1075922726 /nfs/dbraw/zinc/92/27/26/1075922726.db2.gz CJPQGWPJXYNFTE-GIDUJCDVSA-N 1 2 411.531 2.268 20 0 HEADLO CC[C@@]1(C(C)C)NC(=O)N(C[N@@H+]2CCC[C@@H](C(=O)Nc3cccc(C)n3)C2)C1=O ZINC000738026931 1075953656 /nfs/dbraw/zinc/95/36/56/1075953656.db2.gz AXKDJYUDGUXRHD-IERDGZPVSA-N 1 2 401.511 2.355 20 0 HEADLO CC[C@@]1(C(C)C)NC(=O)N(C[N@H+]2CCC[C@@H](C(=O)Nc3cccc(C)n3)C2)C1=O ZINC000738026931 1075953664 /nfs/dbraw/zinc/95/36/64/1075953664.db2.gz AXKDJYUDGUXRHD-IERDGZPVSA-N 1 2 401.511 2.355 20 0 HEADLO O=C(Nc1cccc(F)c1)C1CC[NH+](CN2C(=O)C[C@]3(CCSC3)C2=O)CC1 ZINC000738120544 1075967627 /nfs/dbraw/zinc/96/76/27/1075967627.db2.gz ULBVIJHLWGMVSH-FQEVSTJZSA-N 1 2 405.495 2.316 20 0 HEADLO CCOC(=O)c1ccc2c(c1)n(C[N@@H+]1CCC[C@@H](C3OCCO3)C1)c(=O)n2CC ZINC000738147972 1075968615 /nfs/dbraw/zinc/96/86/15/1075968615.db2.gz HOCXWTUSXSODNF-MRXNPFEDSA-N 1 2 403.479 2.042 20 0 HEADLO CCOC(=O)c1ccc2c(c1)n(C[N@H+]1CCC[C@@H](C3OCCO3)C1)c(=O)n2CC ZINC000738147972 1075968626 /nfs/dbraw/zinc/96/86/26/1075968626.db2.gz HOCXWTUSXSODNF-MRXNPFEDSA-N 1 2 403.479 2.042 20 0 HEADLO CCn1c2ccccc2n(CN2CC[NH+]([C@H](C)C(=O)NCCCOC)CC2)c1=S ZINC000738172848 1075973045 /nfs/dbraw/zinc/97/30/45/1075973045.db2.gz WRTDHNPSYCHWPE-QGZVFWFLSA-N 1 2 419.595 2.308 20 0 HEADLO CC(=O)N1CCCCC[C@@H]1C1CC[NH+](CN2C(=O)C[C@@]3(CCSC3)C2=O)CC1 ZINC000738221002 1075975512 /nfs/dbraw/zinc/97/55/12/1075975512.db2.gz OPMLDNXLKMMFLZ-WIYYLYMNSA-N 1 2 407.580 2.329 20 0 HEADLO C[N@H+](CCN1CCN(C(=O)OC(C)(C)C)CC1)CC(=O)Nc1cc(F)ccc1F ZINC000738326337 1075981050 /nfs/dbraw/zinc/98/10/50/1075981050.db2.gz NXCIFMHQLVVVAI-UHFFFAOYSA-N 1 2 412.481 2.388 20 0 HEADLO C[N@@H+](CCN1CCN(C(=O)OC(C)(C)C)CC1)CC(=O)Nc1cc(F)ccc1F ZINC000738326337 1075981051 /nfs/dbraw/zinc/98/10/51/1075981051.db2.gz NXCIFMHQLVVVAI-UHFFFAOYSA-N 1 2 412.481 2.388 20 0 HEADLO CN(CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1)Cc1nc2ccsc2c(=O)[nH]1 ZINC000738327311 1075981394 /nfs/dbraw/zinc/98/13/94/1075981394.db2.gz ZAQRAXDGRMWGPF-UHFFFAOYSA-N 1 2 407.540 2.381 20 0 HEADLO C[N@H+](CCN1CCN(C(=O)OC(C)(C)C)CC1)Cc1nc(N)c2ccccc2n1 ZINC000738329145 1075981407 /nfs/dbraw/zinc/98/14/07/1075981407.db2.gz LRUUWYYGGBTXIH-UHFFFAOYSA-N 1 2 400.527 2.197 20 0 HEADLO C[N@@H+](CCN1CCN(C(=O)OC(C)(C)C)CC1)Cc1nc(N)c2ccccc2n1 ZINC000738329145 1075981414 /nfs/dbraw/zinc/98/14/14/1075981414.db2.gz LRUUWYYGGBTXIH-UHFFFAOYSA-N 1 2 400.527 2.197 20 0 HEADLO Fc1ccc(-c2ccn(CN3CCN(c4cc(N5CCOCC5)[nH+]cn4)CC3)n2)cc1 ZINC000738288644 1075985094 /nfs/dbraw/zinc/98/50/94/1075985094.db2.gz IWPKFFUKTIPAEK-UHFFFAOYSA-N 1 2 423.496 2.096 20 0 HEADLO CCO[C@H]1CCC[N@H+](CC(=O)Nc2sc3c(c2C(=O)NCCOC)CCCC3)C1 ZINC000738318255 1075988996 /nfs/dbraw/zinc/98/89/96/1075988996.db2.gz BPPSJJKPEBIWBY-HNNXBMFYSA-N 1 2 423.579 2.443 20 0 HEADLO CCO[C@H]1CCC[N@@H+](CC(=O)Nc2sc3c(c2C(=O)NCCOC)CCCC3)C1 ZINC000738318255 1075989001 /nfs/dbraw/zinc/98/90/01/1075989001.db2.gz BPPSJJKPEBIWBY-HNNXBMFYSA-N 1 2 423.579 2.443 20 0 HEADLO O=C(C[N@H+]1CCC[C@H](OCC(F)(F)F)C1)NCc1ccc(N2CCCC2=O)cc1 ZINC000738319187 1075989326 /nfs/dbraw/zinc/98/93/26/1075989326.db2.gz JICZQTSTNHBEAF-KRWDZBQOSA-N 1 2 413.440 2.473 20 0 HEADLO O=C(C[N@@H+]1CCC[C@H](OCC(F)(F)F)C1)NCc1ccc(N2CCCC2=O)cc1 ZINC000738319187 1075989327 /nfs/dbraw/zinc/98/93/27/1075989327.db2.gz JICZQTSTNHBEAF-KRWDZBQOSA-N 1 2 413.440 2.473 20 0 HEADLO COc1ccc(S(=O)(=O)CCC(=O)N2CC[NH2+][C@H](c3cccc(OC)c3)C2)cc1 ZINC001169963695 1079498093 /nfs/dbraw/zinc/49/80/93/1079498093.db2.gz MBTKTNHCYHYMEZ-FQEVSTJZSA-N 1 2 418.515 2.041 20 0 HEADLO C[C@@H](CNS(=O)(=O)/C=C/c1ccc(Br)cc1)C[NH+]1CCOCC1 ZINC000738413113 1075995284 /nfs/dbraw/zinc/99/52/84/1075995284.db2.gz LZCIWIUKCOMWMZ-MUAYPFOZSA-N 1 2 403.342 2.308 20 0 HEADLO C[C@H](CNS(=O)(=O)/C=C/c1ccc(Br)cc1)C[NH+]1CCOCC1 ZINC000738413111 1075995311 /nfs/dbraw/zinc/99/53/11/1075995311.db2.gz LZCIWIUKCOMWMZ-JBNJFFQFSA-N 1 2 403.342 2.308 20 0 HEADLO C[C@@H](CNS(=O)(=O)/C=C\c1ccccc1Br)C[NH+]1CCOCC1 ZINC000738412602 1075995570 /nfs/dbraw/zinc/99/55/70/1075995570.db2.gz GRJGAZOQGFEFHC-KGBIHWOQSA-N 1 2 403.342 2.308 20 0 HEADLO C[C@H]1COCCN1c1ccc(NC(=O)C(=O)NCc2ccccc2-n2cc[nH+]c2)cc1 ZINC000739078425 1076038429 /nfs/dbraw/zinc/03/84/29/1076038429.db2.gz CHDXMUOVRREHSH-KRWDZBQOSA-N 1 2 419.485 2.352 20 0 HEADLO Cc1cccn2cc(CC(=O)NC[C@H](O)c3cc(Cl)c4c(c3)OCCO4)[nH+]c12 ZINC000740149469 1076107031 /nfs/dbraw/zinc/10/70/31/1076107031.db2.gz PKWJDPNGZOELEN-INIZCTEOSA-N 1 2 401.850 2.460 20 0 HEADLO C[N@@H+]1CCO[C@@H]([C@H](NC(=O)NCCOc2cccnc2)c2ccc(Cl)cc2)C1 ZINC000766248969 1076136071 /nfs/dbraw/zinc/13/60/71/1076136071.db2.gz RIDAYVVKLBBYHV-RTBURBONSA-N 1 2 404.898 2.485 20 0 HEADLO C[N@H+]1CCO[C@@H]([C@H](NC(=O)NCCOc2cccnc2)c2ccc(Cl)cc2)C1 ZINC000766248969 1076136076 /nfs/dbraw/zinc/13/60/76/1076136076.db2.gz RIDAYVVKLBBYHV-RTBURBONSA-N 1 2 404.898 2.485 20 0 HEADLO COC(=O)N1CCC(NC(=O)N[C@H](c2ccc(Cl)cc2)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000766247165 1076144743 /nfs/dbraw/zinc/14/47/43/1076144743.db2.gz CDWMENNNXCAIDT-ZWKOTPCHSA-N 1 2 424.929 2.242 20 0 HEADLO COC(=O)N1CCC(NC(=O)N[C@H](c2ccc(Cl)cc2)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000766247165 1076144749 /nfs/dbraw/zinc/14/47/49/1076144749.db2.gz CDWMENNNXCAIDT-ZWKOTPCHSA-N 1 2 424.929 2.242 20 0 HEADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)NC[C@@](C)(O)c2cccs2)CC1 ZINC000740435023 1076168222 /nfs/dbraw/zinc/16/82/22/1076168222.db2.gz QYAUOLOUSZHUER-HXUWFJFHSA-N 1 2 402.520 2.165 20 0 HEADLO COC(=O)Nc1ccc(CNC(=O)C[N@@H+]2CCN(C(C)=O)C3(CCCCC3)C2)cc1 ZINC000766253154 1076181603 /nfs/dbraw/zinc/18/16/03/1076181603.db2.gz IUUYLGKEVRSEJN-UHFFFAOYSA-N 1 2 416.522 2.348 20 0 HEADLO COC(=O)Nc1ccc(CNC(=O)C[N@H+]2CCN(C(C)=O)C3(CCCCC3)C2)cc1 ZINC000766253154 1076181607 /nfs/dbraw/zinc/18/16/07/1076181607.db2.gz IUUYLGKEVRSEJN-UHFFFAOYSA-N 1 2 416.522 2.348 20 0 HEADLO Cc1cc(CSc2ccccc2C(=O)N2CC[NH+](CCn3cncn3)CC2)on1 ZINC000740739156 1076229728 /nfs/dbraw/zinc/22/97/28/1076229728.db2.gz XDLOPSXXOWAWLK-UHFFFAOYSA-N 1 2 412.519 2.325 20 0 HEADLO CC(C)C[C@@]1(C)CC(=O)N(CN2CC[NH+](Cc3ccc4c(c3)OCCO4)CC2)C1=O ZINC000740853560 1076267842 /nfs/dbraw/zinc/26/78/42/1076267842.db2.gz UFQZTMKROZQFNO-QHCPKHFHSA-N 1 2 415.534 2.344 20 0 HEADLO C[C@](O)(CNC(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1)c1ccsc1 ZINC000740909239 1076288508 /nfs/dbraw/zinc/28/85/08/1076288508.db2.gz AZYOFBAQURQZOD-NRFANRHFSA-N 1 2 419.547 2.166 20 0 HEADLO CC[C@H](NC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)c1cc(F)ccc1F ZINC000740914549 1076303377 /nfs/dbraw/zinc/30/33/77/1076303377.db2.gz DSJFKWXXZDRHMA-KRWDZBQOSA-N 1 2 403.495 2.224 20 0 HEADLO CC(=O)Nc1ccc(S(=O)(=O)CCCOC(=O)[C@H](C(C)C)[NH+]2CCCC2)cc1 ZINC000741012685 1076328576 /nfs/dbraw/zinc/32/85/76/1076328576.db2.gz ZXEUXLFRXVYNGF-IBGZPJMESA-N 1 2 410.536 2.472 20 0 HEADLO CC[NH+](CC)[C@@H](C(=O)OCC(=O)N1CCOCC1)c1cccc(C(F)(F)F)c1 ZINC000741024978 1076341391 /nfs/dbraw/zinc/34/13/91/1076341391.db2.gz BFEBRYSHIIJQQF-QGZVFWFLSA-N 1 2 402.413 2.490 20 0 HEADLO C[N@@H+]1CCCC[C@H]1C(=O)OCC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000741145068 1076392167 /nfs/dbraw/zinc/39/21/67/1076392167.db2.gz KVHXFBLWOWQXHP-KRWDZBQOSA-N 1 2 413.440 2.382 20 0 HEADLO C[N@H+]1CCCC[C@H]1C(=O)OCC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000741145068 1076392172 /nfs/dbraw/zinc/39/21/72/1076392172.db2.gz KVHXFBLWOWQXHP-KRWDZBQOSA-N 1 2 413.440 2.382 20 0 HEADLO CC[N@@H+]1CCCC[C@H]1C(=O)OCC(=O)N1CCN(c2ccc(C(C)=O)cc2F)CC1 ZINC000741147055 1076392684 /nfs/dbraw/zinc/39/26/84/1076392684.db2.gz FYNKGFBXFNQQSQ-FQEVSTJZSA-N 1 2 419.497 2.095 20 0 HEADLO CC[N@H+]1CCCC[C@H]1C(=O)OCC(=O)N1CCN(c2ccc(C(C)=O)cc2F)CC1 ZINC000741147055 1076392686 /nfs/dbraw/zinc/39/26/86/1076392686.db2.gz FYNKGFBXFNQQSQ-FQEVSTJZSA-N 1 2 419.497 2.095 20 0 HEADLO O=C(NC[C@H](O)c1c(F)cccc1Cl)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000741272955 1076439677 /nfs/dbraw/zinc/43/96/77/1076439677.db2.gz TVOWUSJGAYLJHX-YJBOKZPZSA-N 1 2 417.934 2.020 20 0 HEADLO O=C(COC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1)NCC1(c2ccccc2)CC1 ZINC000741386885 1076495226 /nfs/dbraw/zinc/49/52/26/1076495226.db2.gz WVOAXMWHEKQWCA-OAQYLSRUSA-N 1 2 408.498 2.279 20 0 HEADLO O=C(COC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1)NCC1(c2ccccc2)CC1 ZINC000741386885 1076495228 /nfs/dbraw/zinc/49/52/28/1076495228.db2.gz WVOAXMWHEKQWCA-OAQYLSRUSA-N 1 2 408.498 2.279 20 0 HEADLO O=C(COC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1)NCc1cccc(Cl)c1 ZINC000741387495 1076496177 /nfs/dbraw/zinc/49/61/77/1076496177.db2.gz ZBIFUBBSHQKKHD-LJQANCHMSA-N 1 2 402.878 2.400 20 0 HEADLO O=C(COC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1)NCc1cccc(Cl)c1 ZINC000741387495 1076496180 /nfs/dbraw/zinc/49/61/80/1076496180.db2.gz ZBIFUBBSHQKKHD-LJQANCHMSA-N 1 2 402.878 2.400 20 0 HEADLO COCCCn1c(=O)c2ccc(C(=O)N(C)[C@H]3CC[N@H+](C)[C@H](C)C3)cc2[nH]c1=S ZINC000741706918 1076600061 /nfs/dbraw/zinc/60/00/61/1076600061.db2.gz CGSHRBLMAPAQJG-ZBFHGGJFSA-N 1 2 418.563 2.276 20 0 HEADLO COCCCn1c(=O)c2ccc(C(=O)N(C)[C@H]3CC[N@@H+](C)[C@H](C)C3)cc2[nH]c1=S ZINC000741706918 1076600064 /nfs/dbraw/zinc/60/00/64/1076600064.db2.gz CGSHRBLMAPAQJG-ZBFHGGJFSA-N 1 2 418.563 2.276 20 0 HEADLO CS(=O)(=O)CC[NH+]1CCC(N(CC(F)(F)F)C(=O)c2ccccc2F)CC1 ZINC000741793484 1076630458 /nfs/dbraw/zinc/63/04/58/1076630458.db2.gz KFKHHYRCYTVSBX-UHFFFAOYSA-N 1 2 410.433 2.339 20 0 HEADLO COC(=O)c1ccc(OC[C@H](O)C[N@@H+]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)cc1 ZINC000741803374 1076642182 /nfs/dbraw/zinc/64/21/82/1076642182.db2.gz AGFRTYPCFPOWIG-DOTOQJQBSA-N 1 2 408.495 2.154 20 0 HEADLO COC(=O)c1ccc(OC[C@H](O)C[N@H+]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)cc1 ZINC000741803374 1076642183 /nfs/dbraw/zinc/64/21/83/1076642183.db2.gz AGFRTYPCFPOWIG-DOTOQJQBSA-N 1 2 408.495 2.154 20 0 HEADLO CN(C)c1ccc([NH+]2CCC(NC(=O)[C@@H]3CS[C@]4(C)CCC(=O)N34)CC2)cc1 ZINC000741982291 1076702298 /nfs/dbraw/zinc/70/22/98/1076702298.db2.gz OAWGXUPHWKQQHJ-GHTZIAJQSA-N 1 2 402.564 2.292 20 0 HEADLO CCC(CC)[C@H](C(=O)Nc1ccc(N2CCC(C(N)=O)CC2)cc1)[NH+]1CCOCC1 ZINC000742059840 1076716722 /nfs/dbraw/zinc/71/67/22/1076716722.db2.gz HSXOBJMOSZCISA-OAQYLSRUSA-N 1 2 416.566 2.464 20 0 HEADLO CN(C)c1ccc([NH+]2CCC(NC(=O)CNC(=O)OCC(F)(F)F)CC2)cc1 ZINC000742109511 1076744899 /nfs/dbraw/zinc/74/48/99/1076744899.db2.gz RBDOGXMPOROKBZ-UHFFFAOYSA-N 1 2 402.417 2.126 20 0 HEADLO COCCCOC1CC[NH+](CN2C(=O)C(=O)N([C@@H](C)c3ccccc3)C2=O)CC1 ZINC000742152132 1076767744 /nfs/dbraw/zinc/76/77/44/1076767744.db2.gz FPYKXMYFYJTFLY-INIZCTEOSA-N 1 2 403.479 2.013 20 0 HEADLO C[C@]1(c2ccc3ccccc3c2)NC(=O)N(C[N@@H+]2CC[C@H](CN3CCOCC3)C2)C1=O ZINC000742162625 1076773364 /nfs/dbraw/zinc/77/33/64/1076773364.db2.gz XBMUISBULGJNJI-HOYKHHGWSA-N 1 2 422.529 2.218 20 0 HEADLO C[C@]1(c2ccc3ccccc3c2)NC(=O)N(C[N@H+]2CC[C@H](CN3CCOCC3)C2)C1=O ZINC000742162625 1076773371 /nfs/dbraw/zinc/77/33/71/1076773371.db2.gz XBMUISBULGJNJI-HOYKHHGWSA-N 1 2 422.529 2.218 20 0 HEADLO CC(=O)[C@@H]1CC(C(=O)N[C@H](C)C2([NH+]3CCOCC3)CCCC2)=NN1c1ccccc1 ZINC000742197212 1076785272 /nfs/dbraw/zinc/78/52/72/1076785272.db2.gz ROSMNHHUDUBGPW-NQIIRXRSSA-N 1 2 412.534 2.360 20 0 HEADLO C[N@H+](CC(F)F)C1CCN(C(=O)Cn2cnc3c4ccccc4oc3c2=O)CC1 ZINC000742237006 1076802991 /nfs/dbraw/zinc/80/29/91/1076802991.db2.gz CLYFEQNFUJPQEP-UHFFFAOYSA-N 1 2 404.417 2.331 20 0 HEADLO C[N@@H+](CC(F)F)C1CCN(C(=O)Cn2cnc3c4ccccc4oc3c2=O)CC1 ZINC000742237006 1076802994 /nfs/dbraw/zinc/80/29/94/1076802994.db2.gz CLYFEQNFUJPQEP-UHFFFAOYSA-N 1 2 404.417 2.331 20 0 HEADLO CCOC(=O)N1CCC(S(=O)(=O)N2CC[NH+](Cc3cccc(C)c3)CC2)CC1 ZINC000742271624 1076807111 /nfs/dbraw/zinc/80/71/11/1076807111.db2.gz KRKFXSBMVLATSA-UHFFFAOYSA-N 1 2 409.552 2.063 20 0 HEADLO CCOC(=O)N1CCC(S(=O)(=O)NCc2cc[nH+]c(N3CCCCC3)c2)CC1 ZINC000742279718 1076809482 /nfs/dbraw/zinc/80/94/82/1076809482.db2.gz LFPSSBHDVSOQJZ-UHFFFAOYSA-N 1 2 410.540 2.112 20 0 HEADLO O=S(=O)(/C=C/c1cccc(Br)c1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000742316212 1076828514 /nfs/dbraw/zinc/82/85/14/1076828514.db2.gz FONHTDQNVYFSGP-WQRDJFRPSA-N 1 2 415.353 2.404 20 0 HEADLO C[C@H]1NC(C(=O)N[C@H](Cc2[nH+]ccn2C)c2ccccc2)=NN(c2ccccc2)C1=O ZINC000742859112 1076889557 /nfs/dbraw/zinc/88/95/57/1076889557.db2.gz TYECYDKDVCAXJT-VQIMIIECSA-N 1 2 416.485 2.159 20 0 HEADLO Cn1c(COC(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)nc2ccccc21 ZINC000766290598 1076896775 /nfs/dbraw/zinc/89/67/75/1076896775.db2.gz NIMJRSXPQYXDEP-UHFFFAOYSA-N 1 2 407.474 2.141 20 0 HEADLO O=C(Nc1ccc(CN2CCOC2=O)cc1)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000743116666 1076963539 /nfs/dbraw/zinc/96/35/39/1076963539.db2.gz FQLIXGDATBFEFK-LJQANCHMSA-N 1 2 402.495 2.357 20 0 HEADLO O=C(NC[C@H](O)c1ccc2ccccc2c1)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000743168419 1076985807 /nfs/dbraw/zinc/98/58/07/1076985807.db2.gz GSOZOVACJQZFDD-FQEVSTJZSA-N 1 2 409.490 2.224 20 0 HEADLO CCC(CC)[C@H](C(=O)N1Cc2c(OC)ccc(OC)c2[C@H](O)C1)[NH+]1CCOCC1 ZINC000743290587 1077025413 /nfs/dbraw/zinc/02/54/13/1077025413.db2.gz MVINZXGRBKIMAT-DYESRHJHSA-N 1 2 406.523 2.216 20 0 HEADLO CCC(CC)[C@@H](C(=O)N1Cc2c(OC)ccc(OC)c2[C@H](O)C1)[NH+]1CCOCC1 ZINC000743290590 1077025731 /nfs/dbraw/zinc/02/57/31/1077025731.db2.gz MVINZXGRBKIMAT-UTKZUKDTSA-N 1 2 406.523 2.216 20 0 HEADLO CC[C@@H]1C[N@H+](CN2C(=O)N[C@](C)(c3cccc(N4CCOC4=O)c3)C2=O)CCS1 ZINC000743399914 1077042815 /nfs/dbraw/zinc/04/28/15/1077042815.db2.gz GPBKODINBFANDH-OXQOHEQNSA-N 1 2 418.519 2.195 20 0 HEADLO CC[C@@H]1C[N@@H+](CN2C(=O)N[C@](C)(c3cccc(N4CCOC4=O)c3)C2=O)CCS1 ZINC000743399914 1077042819 /nfs/dbraw/zinc/04/28/19/1077042819.db2.gz GPBKODINBFANDH-OXQOHEQNSA-N 1 2 418.519 2.195 20 0 HEADLO CCn1cnnc1-c1cccc(NC(=O)C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000743403665 1077043814 /nfs/dbraw/zinc/04/38/14/1077043814.db2.gz SIGMSGJTANERIU-UHFFFAOYSA-N 1 2 415.457 2.406 20 0 HEADLO CN(C)c1ccc([NH+]2CCC(NC(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2)cc1 ZINC000743809779 1077127780 /nfs/dbraw/zinc/12/77/80/1077127780.db2.gz GLHNCKUTEUJQQK-UHFFFAOYSA-N 1 2 417.535 2.191 20 0 HEADLO C[C@@](O)(CNC(=O)C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)c1ccco1 ZINC000743937341 1077228766 /nfs/dbraw/zinc/22/87/66/1077228766.db2.gz WLJWNHLCQZRMPP-JOCHJYFZSA-N 1 2 408.458 2.442 20 0 HEADLO CCC(CC)(CNC(=O)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1)SC ZINC000743983522 1077295455 /nfs/dbraw/zinc/29/54/55/1077295455.db2.gz GNBVPKMJDNJVGB-UHFFFAOYSA-N 1 2 420.579 2.051 20 0 HEADLO C[C@@H](C(=O)Nc1sccc1C(N)=O)[NH+]1CCC(C(=O)NC2CCCCC2)CC1 ZINC000744220841 1077343397 /nfs/dbraw/zinc/34/33/97/1077343397.db2.gz GUTPAVRXJDZEKY-ZDUSSCGKSA-N 1 2 406.552 2.335 20 0 HEADLO CCOC(=O)N(C)c1ccc(NC(=O)C(=O)NCC[NH+]2Cc3ccccc3C2)cc1 ZINC000744924947 1077654402 /nfs/dbraw/zinc/65/44/02/1077654402.db2.gz CNZCTBGYMYJMSS-UHFFFAOYSA-N 1 2 410.474 2.350 20 0 HEADLO CC[NH+](CC)[C@@H](C(=O)O[C@@H](C)C(=O)NC(=O)NCC(F)(F)F)c1ccccc1 ZINC000744995625 1077699848 /nfs/dbraw/zinc/69/98/48/1077699848.db2.gz GMYHBTDHBDLNCU-GXTWGEPZSA-N 1 2 403.401 2.389 20 0 HEADLO CC[N@@H+]1CCCC[C@@H]1C(=O)O[C@@H](C)C(=O)Nc1cc(C(=O)OC)ccc1C(=O)OC ZINC000745088802 1077724525 /nfs/dbraw/zinc/72/45/25/1077724525.db2.gz OYICHFIEMVKZAL-SUMWQHHRSA-N 1 2 420.462 2.004 20 0 HEADLO CC[N@H+]1CCCC[C@@H]1C(=O)O[C@@H](C)C(=O)Nc1cc(C(=O)OC)ccc1C(=O)OC ZINC000745088802 1077724537 /nfs/dbraw/zinc/72/45/37/1077724537.db2.gz OYICHFIEMVKZAL-SUMWQHHRSA-N 1 2 420.462 2.004 20 0 HEADLO C[C@@H](OC(=O)[C@@H]1CCCC[N@@H+]1C)C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21 ZINC000745080790 1077734532 /nfs/dbraw/zinc/73/45/32/1077734532.db2.gz UORXZVNWSOPAIL-ABAIWWIYSA-N 1 2 413.396 2.407 20 0 HEADLO C[C@@H](OC(=O)[C@@H]1CCCC[N@H+]1C)C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21 ZINC000745080790 1077734546 /nfs/dbraw/zinc/73/45/46/1077734546.db2.gz UORXZVNWSOPAIL-ABAIWWIYSA-N 1 2 413.396 2.407 20 0 HEADLO CCOC(=O)c1c(NC(=O)COC(=O)[C@@H]2CCCC[N@@H+]2CC)oc(C)c1C(C)=O ZINC000745084851 1077736222 /nfs/dbraw/zinc/73/62/22/1077736222.db2.gz BZUSCQVBMLMCSI-AWEZNQCLSA-N 1 2 408.451 2.323 20 0 HEADLO CCOC(=O)c1c(NC(=O)COC(=O)[C@@H]2CCCC[N@H+]2CC)oc(C)c1C(C)=O ZINC000745084851 1077736230 /nfs/dbraw/zinc/73/62/30/1077736230.db2.gz BZUSCQVBMLMCSI-AWEZNQCLSA-N 1 2 408.451 2.323 20 0 HEADLO CCc1ccc(CC(=O)OCC(=O)NCc2ccccc2C[NH+]2CCOCC2)cc1 ZINC000745117846 1077736535 /nfs/dbraw/zinc/73/65/35/1077736535.db2.gz XEUZIVYVJHIJOP-UHFFFAOYSA-N 1 2 410.514 2.483 20 0 HEADLO Cc1cc(NC(=O)COC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)n(C(C)(C)C)n1 ZINC000745112954 1077746758 /nfs/dbraw/zinc/74/67/58/1077746758.db2.gz XFNXQFUNPWLGBT-SFHVURJKSA-N 1 2 414.506 2.329 20 0 HEADLO Cc1cc(NC(=O)COC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)n(C(C)(C)C)n1 ZINC000745112954 1077746761 /nfs/dbraw/zinc/74/67/61/1077746761.db2.gz XFNXQFUNPWLGBT-SFHVURJKSA-N 1 2 414.506 2.329 20 0 HEADLO Cc1ccccc1C[NH+]1CCN(C(=O)C(=O)Nc2ccc(Br)nc2)CC1 ZINC000766326936 1077763095 /nfs/dbraw/zinc/76/30/95/1077763095.db2.gz HVDUTNNLILWUEN-UHFFFAOYSA-N 1 2 417.307 2.435 20 0 HEADLO Cc1cc([C@](C)(O)CNC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c(C)o1 ZINC000745289046 1077803903 /nfs/dbraw/zinc/80/39/03/1077803903.db2.gz DUJXDZCCBJLERF-DENIHFKCSA-N 1 2 401.507 2.304 20 0 HEADLO Cc1cc([C@](C)(O)CNC(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c(C)o1 ZINC000745289046 1077803904 /nfs/dbraw/zinc/80/39/04/1077803904.db2.gz DUJXDZCCBJLERF-DENIHFKCSA-N 1 2 401.507 2.304 20 0 HEADLO COc1ccccc1[C@@H](CNC(=O)NCCS(=O)(=O)C(C)(C)C)[NH+]1CCCC1 ZINC000745292933 1077804880 /nfs/dbraw/zinc/80/48/80/1077804880.db2.gz JADLEBMFYBMPHU-QGZVFWFLSA-N 1 2 411.568 2.345 20 0 HEADLO O=C(CCC(=O)N1CCN(c2cccc[nH+]2)CC1)OCc1ccc2c(c1)OCCO2 ZINC000766328542 1077811916 /nfs/dbraw/zinc/81/19/16/1077811916.db2.gz ZABAJMKXPLZGQD-UHFFFAOYSA-N 1 2 411.458 2.025 20 0 HEADLO CCOC(=O)c1ccsc1NC(=O)C[N@@H+]1CCC[C@H]1C[C@H](O)c1cnn(C)c1 ZINC000766954227 1079519347 /nfs/dbraw/zinc/51/93/47/1079519347.db2.gz XXWYFKQBQLGVCD-HOCLYGCPSA-N 1 2 406.508 2.185 20 0 HEADLO CCOC(=O)c1ccsc1NC(=O)C[N@H+]1CCC[C@H]1C[C@H](O)c1cnn(C)c1 ZINC000766954227 1079519354 /nfs/dbraw/zinc/51/93/54/1079519354.db2.gz XXWYFKQBQLGVCD-HOCLYGCPSA-N 1 2 406.508 2.185 20 0 HEADLO CCOC(=O)c1cc(C)sc1NC(=O)C[N@@H+]1CCC[C@H]1C[C@H](O)c1cnn(C)c1 ZINC000766960169 1079524948 /nfs/dbraw/zinc/52/49/48/1079524948.db2.gz JTOKXXKCESVULM-RDJZCZTQSA-N 1 2 420.535 2.493 20 0 HEADLO CCOC(=O)c1cc(C)sc1NC(=O)C[N@H+]1CCC[C@H]1C[C@H](O)c1cnn(C)c1 ZINC000766960169 1079524962 /nfs/dbraw/zinc/52/49/62/1079524962.db2.gz JTOKXXKCESVULM-RDJZCZTQSA-N 1 2 420.535 2.493 20 0 HEADLO Cc1c(C(=O)OCC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)cnn1CC(C)C ZINC000767021346 1079595166 /nfs/dbraw/zinc/59/51/66/1079595166.db2.gz AGGRNCRMMSMUTP-UHFFFAOYSA-N 1 2 414.506 2.475 20 0 HEADLO Cn1ccnc1[C@@H](O)C1CCN(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)CC1 ZINC000771946066 1079595948 /nfs/dbraw/zinc/59/59/48/1079595948.db2.gz LYWZSMJBQVPJGJ-FQEVSTJZSA-N 1 2 412.538 2.461 20 0 HEADLO C[C@@H]1CN(c2ccc(NC(=O)COC(=O)C[N@H+](C)[C@@H]3CCSC3)cc2)C[C@@H](C)O1 ZINC000767111877 1079665717 /nfs/dbraw/zinc/66/57/17/1079665717.db2.gz MWISJZDSLRHJAG-GPMSIDNRSA-N 1 2 421.563 2.219 20 0 HEADLO C[C@@H]1CN(c2ccc(NC(=O)COC(=O)C[N@@H+](C)[C@@H]3CCSC3)cc2)C[C@@H](C)O1 ZINC000767111877 1079665723 /nfs/dbraw/zinc/66/57/23/1079665723.db2.gz MWISJZDSLRHJAG-GPMSIDNRSA-N 1 2 421.563 2.219 20 0 HEADLO C[N@H+](CC(=O)OCC(=O)N[C@H](c1nccs1)c1ccccc1)[C@@H]1CCSC1 ZINC000767111907 1079665749 /nfs/dbraw/zinc/66/57/49/1079665749.db2.gz NLXDRCONDQXKOR-QAPCUYQASA-N 1 2 405.545 2.329 20 0 HEADLO C[N@@H+](CC(=O)OCC(=O)N[C@H](c1nccs1)c1ccccc1)[C@@H]1CCSC1 ZINC000767111907 1079665759 /nfs/dbraw/zinc/66/57/59/1079665759.db2.gz NLXDRCONDQXKOR-QAPCUYQASA-N 1 2 405.545 2.329 20 0 HEADLO C[C@](O)(CNC(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1)c1ccsc1 ZINC000741086834 1079669241 /nfs/dbraw/zinc/66/92/41/1079669241.db2.gz QRNYNKSJSCKQME-CTNGQTDRSA-N 1 2 403.548 2.198 20 0 HEADLO CN(CCOc1ccc(Cl)cc1)C(=O)COC(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000772051637 1079671802 /nfs/dbraw/zinc/67/18/02/1079671802.db2.gz VRNSFCJITHBMGQ-HNNXBMFYSA-N 1 2 400.928 2.158 20 0 HEADLO CN(CCOc1ccc(Cl)cc1)C(=O)COC(=O)C[N@@H+](C)[C@H]1CCSC1 ZINC000772051637 1079671807 /nfs/dbraw/zinc/67/18/07/1079671807.db2.gz VRNSFCJITHBMGQ-HNNXBMFYSA-N 1 2 400.928 2.158 20 0 HEADLO Cc1nn(-c2ccccc2)c(C)c1CNC(=O)COC(=O)C[N@@H+](C)[C@H]1CCSC1 ZINC000772051413 1079671912 /nfs/dbraw/zinc/67/19/12/1079671912.db2.gz SVDBMOOYQJWCHG-SFHVURJKSA-N 1 2 416.547 2.086 20 0 HEADLO Cc1nn(-c2ccccc2)c(C)c1CNC(=O)COC(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000772051413 1079671915 /nfs/dbraw/zinc/67/19/15/1079671915.db2.gz SVDBMOOYQJWCHG-SFHVURJKSA-N 1 2 416.547 2.086 20 0 HEADLO Cc1c(-c2cc(CON=C(N)c3cccc(C[NH+]4CCOCC4)c3)on2)cnn1C ZINC000767096406 1079675243 /nfs/dbraw/zinc/67/52/43/1079675243.db2.gz PTOGJIMECPKJJF-UHFFFAOYSA-N 1 2 410.478 2.262 20 0 HEADLO C[C@H](OC(=O)C[N@H+](C)[C@@H]1CCSC1)C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000772057595 1079676675 /nfs/dbraw/zinc/67/66/75/1079676675.db2.gz CXKRRBBJGHOSMA-YIKIYTBXSA-N 1 2 423.579 2.150 20 0 HEADLO C[C@H](OC(=O)C[N@@H+](C)[C@@H]1CCSC1)C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000772057595 1079676680 /nfs/dbraw/zinc/67/66/80/1079676680.db2.gz CXKRRBBJGHOSMA-YIKIYTBXSA-N 1 2 423.579 2.150 20 0 HEADLO CC(C)(C)OC(=O)N1C[C@H]([N@@H+]2Cc3cccnc3C2)C[C@H]1C(=O)N1CCSC1 ZINC001170037655 1079693013 /nfs/dbraw/zinc/69/30/13/1079693013.db2.gz ITBVDWFHJOHKLD-WBVHZDCISA-N 1 2 404.536 2.308 20 0 HEADLO CC(C)(C)OC(=O)N1C[C@H]([N@H+]2Cc3cccnc3C2)C[C@H]1C(=O)N1CCSC1 ZINC001170037655 1079693016 /nfs/dbraw/zinc/69/30/16/1079693016.db2.gz ITBVDWFHJOHKLD-WBVHZDCISA-N 1 2 404.536 2.308 20 0 HEADLO C[N@H+](CC(=O)OCC(=O)Nc1cc2c(cc1Cl)OCCCO2)[C@H]1CCSC1 ZINC000772061830 1079704377 /nfs/dbraw/zinc/70/43/77/1079704377.db2.gz NKJMUNCQKYGZOX-LBPRGKRZSA-N 1 2 414.911 2.420 20 0 HEADLO C[N@@H+](CC(=O)OCC(=O)Nc1cc2c(cc1Cl)OCCCO2)[C@H]1CCSC1 ZINC000772061830 1079704388 /nfs/dbraw/zinc/70/43/88/1079704388.db2.gz NKJMUNCQKYGZOX-LBPRGKRZSA-N 1 2 414.911 2.420 20 0 HEADLO CN(C)c1ccc(N2C(=O)C[C@H]([NH+]3CCC(Oc4ncccc4F)CC3)C2=O)cc1 ZINC000772180080 1079728257 /nfs/dbraw/zinc/72/82/57/1079728257.db2.gz WSFCHSPBPSHRFE-IBGZPJMESA-N 1 2 412.465 2.462 20 0 HEADLO COc1ccc([C@H](OC)[C@@H](C)NC(=O)C(=O)Nc2ccc(C)[nH+]c2N(C)C)cc1 ZINC000772274445 1079776506 /nfs/dbraw/zinc/77/65/06/1079776506.db2.gz HIXZJFFJTOGTLH-RDTXWAMCSA-N 1 2 400.479 2.296 20 0 HEADLO O=C(CC[NH+]1CCN(C(=O)c2ccccc2I)CC1)C1CC1 ZINC000767363143 1079829702 /nfs/dbraw/zinc/82/97/02/1079829702.db2.gz HJSIKLQHEBICOD-UHFFFAOYSA-N 1 2 412.271 2.418 20 0 HEADLO O=C(OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)C1CCN(C(=O)OCc2ccccc2)CC1 ZINC000767503080 1079894779 /nfs/dbraw/zinc/89/47/79/1079894779.db2.gz OOKMLURVTIVDCF-BGYRXZFFSA-N 1 2 402.491 2.442 20 0 HEADLO O=C(OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)C1CCN(C(=O)OCc2ccccc2)CC1 ZINC000767503080 1079894785 /nfs/dbraw/zinc/89/47/85/1079894785.db2.gz OOKMLURVTIVDCF-BGYRXZFFSA-N 1 2 402.491 2.442 20 0 HEADLO Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1NC(=O)N[C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000772538038 1079920854 /nfs/dbraw/zinc/92/08/54/1079920854.db2.gz XFZOMADFJQJOGB-JKSUJKDBSA-N 1 2 422.555 2.292 20 0 HEADLO O=C(COC(=O)c1ccc(OC(F)F)cn1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000772545031 1079926777 /nfs/dbraw/zinc/92/67/77/1079926777.db2.gz LSJLGRMBYHVVNK-UHFFFAOYSA-N 1 2 421.400 2.311 20 0 HEADLO Cc1cc(C(=O)COC(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)ccc1F ZINC000767536510 1079938645 /nfs/dbraw/zinc/93/86/45/1079938645.db2.gz HWRFDAUNJUMLRT-UHFFFAOYSA-N 1 2 413.449 2.384 20 0 HEADLO C[C@@H]1CN(c2ccc(NC(=O)CN3CC[NH+](Cc4ccncc4)CC3)cc2)C[C@@H](C)O1 ZINC000767539605 1079942746 /nfs/dbraw/zinc/94/27/46/1079942746.db2.gz FJNLKBIZPABEKQ-WOJBJXKFSA-N 1 2 423.561 2.452 20 0 HEADLO CC(C)CCc1noc(COC(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)n1 ZINC000767540009 1079945026 /nfs/dbraw/zinc/94/50/26/1079945026.db2.gz WSUGYQREUHGGGI-UHFFFAOYSA-N 1 2 415.494 2.225 20 0 HEADLO Cc1cc2c(ncnc2N2CCC[C@H]2C(=O)OCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)s1 ZINC000767576634 1079963932 /nfs/dbraw/zinc/96/39/32/1079963932.db2.gz MIKYBPHWQCDFSL-UXLLHSPISA-N 1 2 402.520 2.375 20 0 HEADLO Cc1cc2c(ncnc2N2CCC[C@H]2C(=O)OCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)s1 ZINC000767576634 1079963948 /nfs/dbraw/zinc/96/39/48/1079963948.db2.gz MIKYBPHWQCDFSL-UXLLHSPISA-N 1 2 402.520 2.375 20 0 HEADLO Cn1cc[nH+]c1[C@@H]1CCCN(S(=O)(=O)[C@H]2CCCN(C(=O)c3ccccc3)C2)C1 ZINC000767655816 1080023219 /nfs/dbraw/zinc/02/32/19/1080023219.db2.gz NLAFLUCMBGJPLS-MOPGFXCFSA-N 1 2 416.547 2.234 20 0 HEADLO COc1cc(S(=O)(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)cnc1Cl ZINC000767680343 1080035923 /nfs/dbraw/zinc/03/59/23/1080035923.db2.gz KZKQMJGHNPNJGR-UHFFFAOYSA-N 1 2 411.911 2.419 20 0 HEADLO COc1cc(S(=O)(=O)N2CCC[C@H]2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cnc1Cl ZINC000767730674 1080057958 /nfs/dbraw/zinc/05/79/58/1080057958.db2.gz ZLZXLUOCUGWLEZ-MJBXVCDLSA-N 1 2 403.932 2.006 20 0 HEADLO COc1cc(S(=O)(=O)N2CCC[C@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cnc1Cl ZINC000767730674 1080057969 /nfs/dbraw/zinc/05/79/69/1080057969.db2.gz ZLZXLUOCUGWLEZ-MJBXVCDLSA-N 1 2 403.932 2.006 20 0 HEADLO CC(C)C[C@H](C)N(C)C(=O)C[NH+]1CCN(c2ccc(NS(C)(=O)=O)cc2)CC1 ZINC000767744525 1080061812 /nfs/dbraw/zinc/06/18/12/1080061812.db2.gz DGZPMSOOUUPSPC-KRWDZBQOSA-N 1 2 410.584 2.073 20 0 HEADLO CS(=O)(=O)Nc1ccc(N2CC[NH+](C[C@@H](O)c3c(F)cccc3F)CC2)cc1 ZINC000767746048 1080063781 /nfs/dbraw/zinc/06/37/81/1080063781.db2.gz VGGNCIGRDUUIHG-GOSISDBHSA-N 1 2 411.474 2.192 20 0 HEADLO C[N@H+](CCOC(C)(C)C)CN1C(=O)C(=O)N(c2ccc(Br)cc2)C1=O ZINC000767777166 1080083570 /nfs/dbraw/zinc/08/35/70/1080083570.db2.gz YCCWISVTZQSWRV-UHFFFAOYSA-N 1 2 412.284 2.449 20 0 HEADLO C[N@@H+](CCOC(C)(C)C)CN1C(=O)C(=O)N(c2ccc(Br)cc2)C1=O ZINC000767777166 1080083584 /nfs/dbraw/zinc/08/35/84/1080083584.db2.gz YCCWISVTZQSWRV-UHFFFAOYSA-N 1 2 412.284 2.449 20 0 HEADLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)C(=O)NCc1ccccc1Cn1cccn1 ZINC000785640125 1080086277 /nfs/dbraw/zinc/08/62/77/1080086277.db2.gz KEQIVLQAYRXYCH-UHFFFAOYSA-N 1 2 414.469 2.050 20 0 HEADLO COc1ccc(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)cc1C1CC1 ZINC000767780674 1080089895 /nfs/dbraw/zinc/08/98/95/1080089895.db2.gz IGNZKWLNKXJPKB-UHFFFAOYSA-N 1 2 408.502 2.436 20 0 HEADLO O=C1N[C@]2(CCCCc3ccccc32)C(=O)N1C[N@@H+]1CCS[C@H]2COCC[C@@H]21 ZINC000767782520 1080090256 /nfs/dbraw/zinc/09/02/56/1080090256.db2.gz PKVAECCOOAWKAU-WFXMLNOXSA-N 1 2 401.532 2.324 20 0 HEADLO O=C1N[C@]2(CCCCc3ccccc32)C(=O)N1C[N@H+]1CCS[C@H]2COCC[C@@H]21 ZINC000767782520 1080090266 /nfs/dbraw/zinc/09/02/66/1080090266.db2.gz PKVAECCOOAWKAU-WFXMLNOXSA-N 1 2 401.532 2.324 20 0 HEADLO O=C(OCc1ccc(Cl)c2cccnc12)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000785654009 1080111747 /nfs/dbraw/zinc/11/17/47/1080111747.db2.gz DGPBYDCQCNGBCA-INIZCTEOSA-N 1 2 417.893 2.112 20 0 HEADLO CCC[C@H]1CN(S(=O)(=O)c2ccc(C3(C)OCCO3)cc2)CC[N@@H+]1CCOC ZINC000767831720 1080147304 /nfs/dbraw/zinc/14/73/04/1080147304.db2.gz RSJQAUSCYCARPH-SFHVURJKSA-N 1 2 412.552 2.028 20 0 HEADLO CCC[C@H]1CN(S(=O)(=O)c2ccc(C3(C)OCCO3)cc2)CC[N@H+]1CCOC ZINC000767831720 1080147337 /nfs/dbraw/zinc/14/73/37/1080147337.db2.gz RSJQAUSCYCARPH-SFHVURJKSA-N 1 2 412.552 2.028 20 0 HEADLO COCCN(CC(=O)N1CC[NH2+][C@H](c2cccc(OC)c2)C1)C(=O)OC(C)(C)C ZINC001169976658 1080175490 /nfs/dbraw/zinc/17/54/90/1080175490.db2.gz WRZVSPHXOQPAET-SFHVURJKSA-N 1 2 407.511 2.052 20 0 HEADLO O=C(OCc1c(Cl)cccc1Cl)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000785656964 1080176978 /nfs/dbraw/zinc/17/69/78/1080176978.db2.gz WJMOPBODCWMTDW-ZDUSSCGKSA-N 1 2 401.290 2.217 20 0 HEADLO O=C(C[NH+]1CCC(O)(c2ccccc2)CC1)Nc1cc(-n2cnnn2)ccc1Cl ZINC000767857467 1080179069 /nfs/dbraw/zinc/17/90/69/1080179069.db2.gz HEEDTSIIFFMJHT-UHFFFAOYSA-N 1 2 412.881 2.238 20 0 HEADLO O=C(OCc1nc(C2CCCCC2)cs1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000785659742 1080180873 /nfs/dbraw/zinc/18/08/73/1080180873.db2.gz CTCAXKLSZVDPJR-QGZVFWFLSA-N 1 2 421.563 2.415 20 0 HEADLO O=C(OCc1csc(-c2ccsc2)n1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000785662934 1080184214 /nfs/dbraw/zinc/18/42/14/1080184214.db2.gz UYCVUERKOIXQLW-OAHLLOKOSA-N 1 2 421.544 2.096 20 0 HEADLO CS(=O)(=O)Nc1ccc(N2CCN(C(=O)Nc3ccc4[nH+]ccn4c3)CC2)cc1 ZINC000767863313 1080185770 /nfs/dbraw/zinc/18/57/70/1080185770.db2.gz MUXZJBYYKRLMKI-UHFFFAOYSA-N 1 2 414.491 2.060 20 0 HEADLO Cc1cc(C(=O)COC(=O)C[NH+]2[C@H](C)CC[C@H]2C)c(C)n1[C@H]1CCS(=O)(=O)C1 ZINC000785742386 1080211063 /nfs/dbraw/zinc/21/10/63/1080211063.db2.gz HWFHMPXMIYEONG-CPUCHLNUSA-N 1 2 410.536 2.063 20 0 HEADLO COc1cc(C[N@H+](C)CC(=O)Nc2ccccc2Cl)cc(OC)c1OCC(N)=O ZINC000768170929 1080382815 /nfs/dbraw/zinc/38/28/15/1080382815.db2.gz YYYOZJIPTRKOJR-UHFFFAOYSA-N 1 2 421.881 2.292 20 0 HEADLO COc1cc(C[N@@H+](C)CC(=O)Nc2ccccc2Cl)cc(OC)c1OCC(N)=O ZINC000768170929 1080382826 /nfs/dbraw/zinc/38/28/26/1080382826.db2.gz YYYOZJIPTRKOJR-UHFFFAOYSA-N 1 2 421.881 2.292 20 0 HEADLO O=C(C[NH+]1CCC(NC(=O)N[C@H]2CCCC3(C2)OCCO3)CC1)Nc1ccccc1 ZINC000768191891 1080406578 /nfs/dbraw/zinc/40/65/78/1080406578.db2.gz QIMYPMZNARYDBC-IBGZPJMESA-N 1 2 416.522 2.074 20 0 HEADLO CCN(CC)C(=O)C[NH+]1CCN(Cc2ccc(NC(=O)OC(C)(C)C)nc2)CC1 ZINC000768213916 1080416219 /nfs/dbraw/zinc/41/62/19/1080416219.db2.gz AVVFCBVKNKPPMV-UHFFFAOYSA-N 1 2 405.543 2.415 20 0 HEADLO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1CN1CC[NH+](Cc2ccco2)CC1 ZINC000768214034 1080417814 /nfs/dbraw/zinc/41/78/14/1080417814.db2.gz FSAYFXVDDBTTHA-HNNXBMFYSA-N 1 2 412.943 2.115 20 0 HEADLO CCN(CC)S(=O)(=O)N1CC[NH+](Cc2cccc(OCc3ccccn3)c2)CC1 ZINC000768221042 1080425368 /nfs/dbraw/zinc/42/53/68/1080425368.db2.gz XPKKUDDODDYTHM-UHFFFAOYSA-N 1 2 418.563 2.365 20 0 HEADLO CN(CCCn1cc[nH+]c1)C(=O)CN1C(=O)N[C@](C)(c2ccc3ccccc3c2)C1=O ZINC000768323437 1080485402 /nfs/dbraw/zinc/48/54/02/1080485402.db2.gz HTAIPZCBRLVFOZ-HSZRJFAPSA-N 1 2 419.485 2.352 20 0 HEADLO C[C@@H]1C[N@H+](CCNC(=O)N(CCNC(=O)OC(C)(C)C)Cc2ccccc2)CCO1 ZINC000768323686 1080485444 /nfs/dbraw/zinc/48/54/44/1080485444.db2.gz OKNBDFWPSIJRSE-GOSISDBHSA-N 1 2 420.554 2.444 20 0 HEADLO C[C@@H]1C[N@@H+](CCNC(=O)N(CCNC(=O)OC(C)(C)C)Cc2ccccc2)CCO1 ZINC000768323686 1080485451 /nfs/dbraw/zinc/48/54/51/1080485451.db2.gz OKNBDFWPSIJRSE-GOSISDBHSA-N 1 2 420.554 2.444 20 0 HEADLO CN(CCCn1cc[nH+]c1)C(=O)c1cccn2c(I)cnc12 ZINC000768325238 1080487095 /nfs/dbraw/zinc/48/70/95/1080487095.db2.gz ULKDHRAHSYNJGF-UHFFFAOYSA-N 1 2 409.231 2.298 20 0 HEADLO CN(CCCn1cc[nH+]c1)C(=O)c1ccc(Br)c(S(C)(=O)=O)c1 ZINC000768325213 1080487121 /nfs/dbraw/zinc/48/71/21/1080487121.db2.gz SWMAITANEWBSRD-UHFFFAOYSA-N 1 2 400.298 2.211 20 0 HEADLO CS(=O)(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1I ZINC000768340875 1080497136 /nfs/dbraw/zinc/49/71/36/1080497136.db2.gz GOSZLIHFHHEAQK-ZDUSSCGKSA-N 1 2 408.305 2.195 20 0 HEADLO CS(=O)(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1I ZINC000768340875 1080497144 /nfs/dbraw/zinc/49/71/44/1080497144.db2.gz GOSZLIHFHHEAQK-ZDUSSCGKSA-N 1 2 408.305 2.195 20 0 HEADLO COC(=O)CCc1cccc(NC(=O)C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000786289265 1080535258 /nfs/dbraw/zinc/53/52/58/1080535258.db2.gz AXESUSUYFNKHQW-UHFFFAOYSA-N 1 2 406.442 2.233 20 0 HEADLO O=C([C@@H]1CCc2[nH+]ccn2C1)N1CCN(c2c(F)c(F)c(F)c(F)c2F)CC1 ZINC000786694693 1080760947 /nfs/dbraw/zinc/76/09/47/1080760947.db2.gz AEFKSZUZWPNDNQ-SNVBAGLBSA-N 1 2 400.351 2.490 20 0 HEADLO CC(C)OC(=O)NCc1ccc(NC(=O)C(=O)N(C)CCCn2cc[nH+]c2)cc1 ZINC000768739141 1080763375 /nfs/dbraw/zinc/76/33/75/1080763375.db2.gz GBJDJFXLSSTAKZ-UHFFFAOYSA-N 1 2 401.467 2.005 20 0 HEADLO O=C([C@@H]1CCC[N@@H+]1Cc1ccccc1)N(CCCO)S(=O)(=O)c1cccs1 ZINC000768790645 1080800123 /nfs/dbraw/zinc/80/01/23/1080800123.db2.gz SELUJXMWTVMVEM-KRWDZBQOSA-N 1 2 408.545 2.312 20 0 HEADLO O=C([C@@H]1CCC[N@H+]1Cc1ccccc1)N(CCCO)S(=O)(=O)c1cccs1 ZINC000768790645 1080800126 /nfs/dbraw/zinc/80/01/26/1080800126.db2.gz SELUJXMWTVMVEM-KRWDZBQOSA-N 1 2 408.545 2.312 20 0 HEADLO COC(=O)[C@@H]1CCN(c2nc(N3CC[C@H](C(=O)OC)[C@H]3C)c(C3CC3)c[nH+]2)[C@@H]1C ZINC000786811802 1080839400 /nfs/dbraw/zinc/83/94/00/1080839400.db2.gz DRHSNBXWXGTUAQ-LUYZLQTOSA-N 1 2 402.495 2.130 20 0 HEADLO CN(CCN(C)C(=O)OC(C)(C)C)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000768920605 1080857595 /nfs/dbraw/zinc/85/75/95/1080857595.db2.gz STNJYFYKXJBEEX-LJQANCHMSA-N 1 2 420.554 2.396 20 0 HEADLO CN(CCN(C)C(=O)OC(C)(C)C)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000768920605 1080857597 /nfs/dbraw/zinc/85/75/97/1080857597.db2.gz STNJYFYKXJBEEX-LJQANCHMSA-N 1 2 420.554 2.396 20 0 HEADLO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)c2sc(N3CCCC3)nc2Cl)CC1 ZINC000746616169 1080868742 /nfs/dbraw/zinc/86/87/42/1080868742.db2.gz GSXQGZLELFRPSO-LBPRGKRZSA-N 1 2 400.932 2.106 20 0 HEADLO O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)OCc1cccc(OC(F)F)c1 ZINC000786997487 1080907952 /nfs/dbraw/zinc/90/79/52/1080907952.db2.gz NKBADKXCBOZKSE-KRWDZBQOSA-N 1 2 412.433 2.045 20 0 HEADLO O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)OCc1cc(-c2ccccc2)on1 ZINC000786996841 1080909298 /nfs/dbraw/zinc/90/92/98/1080909298.db2.gz MMXDHWPQGJYMMV-LJQANCHMSA-N 1 2 413.474 2.098 20 0 HEADLO COc1ccc(Cl)c(COC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)c1 ZINC000786999268 1080910888 /nfs/dbraw/zinc/91/08/88/1080910888.db2.gz HVOUACJDYYPUJQ-SFHVURJKSA-N 1 2 410.898 2.105 20 0 HEADLO O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)OCc1coc(-c2cccs2)n1 ZINC000787002578 1080915072 /nfs/dbraw/zinc/91/50/72/1080915072.db2.gz SZESIRRKWFYVCS-MRXNPFEDSA-N 1 2 419.503 2.160 20 0 HEADLO Cc1ccccc1OCCCOC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000787002810 1080918140 /nfs/dbraw/zinc/91/81/40/1080918140.db2.gz XDLSNCXVQGNHOF-FQEVSTJZSA-N 1 2 404.507 2.020 20 0 HEADLO COc1cc(N[C@@H]2CCCN(C(=O)NCC[N@@H+]3CCO[C@@H](C)C3)C2)cc(OC)c1 ZINC000769086837 1080934022 /nfs/dbraw/zinc/93/40/22/1080934022.db2.gz QSOZLNKYBWMKBG-DLBZAZTESA-N 1 2 406.527 2.010 20 0 HEADLO COc1cc(N[C@@H]2CCCN(C(=O)NCC[N@H+]3CCO[C@@H](C)C3)C2)cc(OC)c1 ZINC000769086837 1080934035 /nfs/dbraw/zinc/93/40/35/1080934035.db2.gz QSOZLNKYBWMKBG-DLBZAZTESA-N 1 2 406.527 2.010 20 0 HEADLO CC(=O)N(C)c1ccc(NC(=O)N2CC[N@H+](C)C[C@@H]2CNC(=O)OC(C)(C)C)cc1 ZINC000769236806 1081011715 /nfs/dbraw/zinc/01/17/15/1081011715.db2.gz VNGVOPQKKNSNMH-SFHVURJKSA-N 1 2 419.526 2.342 20 0 HEADLO CC(=O)N(C)c1ccc(NC(=O)N2CC[N@@H+](C)C[C@@H]2CNC(=O)OC(C)(C)C)cc1 ZINC000769236806 1081011723 /nfs/dbraw/zinc/01/17/23/1081011723.db2.gz VNGVOPQKKNSNMH-SFHVURJKSA-N 1 2 419.526 2.342 20 0 HEADLO Cc1cc(C(=O)OCC(=O)N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)ns1 ZINC000769307684 1081038265 /nfs/dbraw/zinc/03/82/65/1081038265.db2.gz RZFWCHQFEOUFJO-UHFFFAOYSA-N 1 2 403.508 2.179 20 0 HEADLO CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCN(C[C@H](O)COc3ccccc3)CC2)C1 ZINC000769368145 1081055255 /nfs/dbraw/zinc/05/52/55/1081055255.db2.gz DQLAHUJJAIOYMX-OALUTQOASA-N 1 2 405.539 2.053 20 0 HEADLO C[N@H+](CC1=Nc2ccccc2S(=O)(=O)N1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000746661778 1081055815 /nfs/dbraw/zinc/05/58/15/1081055815.db2.gz ONMFXOZCRGDXRG-UHFFFAOYSA-N 1 2 408.524 2.340 20 0 HEADLO C[N@@H+](CC1=Nc2ccccc2S(=O)(=O)N1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000746661778 1081055822 /nfs/dbraw/zinc/05/58/22/1081055822.db2.gz ONMFXOZCRGDXRG-UHFFFAOYSA-N 1 2 408.524 2.340 20 0 HEADLO Cn1cc(C[C@@H]2CC(=O)N(C[N@H+](C)CCOc3ccc(C(F)(F)F)cc3)C2=O)cn1 ZINC000787244137 1081068150 /nfs/dbraw/zinc/06/81/50/1081068150.db2.gz GFYZYMYZPOCTLM-OAHLLOKOSA-N 1 2 424.423 2.325 20 0 HEADLO Cn1cc(C[C@@H]2CC(=O)N(C[N@@H+](C)CCOc3ccc(C(F)(F)F)cc3)C2=O)cn1 ZINC000787244137 1081068154 /nfs/dbraw/zinc/06/81/54/1081068154.db2.gz GFYZYMYZPOCTLM-OAHLLOKOSA-N 1 2 424.423 2.325 20 0 HEADLO COc1ccccc1C[NH+]1CCN(C(=O)N[C@H](C)CNC(=O)OC(C)(C)C)CC1 ZINC000769541477 1081095714 /nfs/dbraw/zinc/09/57/14/1081095714.db2.gz YOBNFBCDBWIZOM-MRXNPFEDSA-N 1 2 406.527 2.436 20 0 HEADLO O=S(=O)(c1ccc2nc(Cl)sc2c1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000746668383 1081102993 /nfs/dbraw/zinc/10/29/93/1081102993.db2.gz CAHWKTOQRYEDFC-GFCCVEGCSA-N 1 2 401.941 2.293 20 0 HEADLO C[NH+](C)[C@H](CNC(=O)NCCS(=O)(=O)CC1CC1)c1cccc(C(F)(F)F)c1 ZINC000769520847 1081106410 /nfs/dbraw/zinc/10/64/10/1081106410.db2.gz KGTBMMZXFIAOMJ-MRXNPFEDSA-N 1 2 421.485 2.432 20 0 HEADLO COc1cc(CN2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)ccc1OC(=O)C1CC1 ZINC000769544116 1081119094 /nfs/dbraw/zinc/11/90/94/1081119094.db2.gz VFDBGGROHWKEEH-KRWDZBQOSA-N 1 2 415.534 2.139 20 0 HEADLO CC(C)(C)OC(=O)N1Cc2ccc(C(=O)N3CC[NH+]([C@H]4CCOC4)CC3)cc2C1 ZINC000769597417 1081143389 /nfs/dbraw/zinc/14/33/89/1081143389.db2.gz VTTPJGOTQCUEJB-IBGZPJMESA-N 1 2 401.507 2.484 20 0 HEADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nnc(Cl)c2c1CCCC2 ZINC001164701506 719851681 /nfs/dbraw/zinc/85/16/81/719851681.db2.gz KSDKIFJCHKMADH-VLIAUNLRSA-N 1 2 408.930 2.242 20 0 HEADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nnc(Cl)c2c1CCCC2 ZINC001164701503 719851753 /nfs/dbraw/zinc/85/17/53/719851753.db2.gz KSDKIFJCHKMADH-VBKZILBWSA-N 1 2 408.930 2.242 20 0 HEADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc(C(=O)OC(C)(C)C)cn1 ZINC001164701082 719853978 /nfs/dbraw/zinc/85/39/78/719853978.db2.gz JGJZGHHBSFTTSB-VGOFRKELSA-N 1 2 419.522 2.270 20 0 HEADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(Cl)ncc1SC ZINC001164701577 719856271 /nfs/dbraw/zinc/85/62/71/719856271.db2.gz LFBPBNNGAPLANZ-YVEFUNNKSA-N 1 2 400.932 2.085 20 0 HEADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc(C)nc(-c2ccccn2)n1 ZINC001164708190 719867405 /nfs/dbraw/zinc/86/74/05/719867405.db2.gz YIXNSMNSZVGGDM-HTAPYJJXSA-N 1 2 411.506 2.080 20 0 HEADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc(-c2ccncc2)nc(C)n1 ZINC001164706117 719872454 /nfs/dbraw/zinc/87/24/54/719872454.db2.gz OUEICQLZSDPIOI-GCJKJVERSA-N 1 2 411.506 2.080 20 0 HEADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc(SC)nc(SC)n1 ZINC001164700803 719879121 /nfs/dbraw/zinc/87/91/21/719879121.db2.gz LYLBJYGKKSLOGR-ACJLOTCBSA-N 1 2 412.581 2.153 20 0 HEADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1nccc3c(F)cccc31)CC2 ZINC001164708350 719911591 /nfs/dbraw/zinc/91/15/91/719911591.db2.gz ABRPRXYAIHLFDR-UHFFFAOYSA-N 1 2 408.481 2.058 20 0 HEADLO CCc1nc(Cl)c(N2CCC[C@]3(C2)COCC[N@H+](CC(=O)NC)C3)c(Cl)n1 ZINC001164720711 720291048 /nfs/dbraw/zinc/29/10/48/720291048.db2.gz CHTUONGEOWJASD-SFHVURJKSA-N 1 2 416.353 2.011 20 0 HEADLO CCc1nc(Cl)c(N2CCC[C@]3(C2)COCC[N@@H+](CC(=O)NC)C3)c(Cl)n1 ZINC001164720711 720291060 /nfs/dbraw/zinc/29/10/60/720291060.db2.gz CHTUONGEOWJASD-SFHVURJKSA-N 1 2 416.353 2.011 20 0 HEADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ncnc5cccnc54)CC3)C2=O)cs1 ZINC001164826853 720361211 /nfs/dbraw/zinc/36/12/11/720361211.db2.gz ZVEBFZKLPUVYQD-UHFFFAOYSA-N 1 2 423.546 2.103 20 0 HEADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ncnc5cccnc54)CC3)C2=O)cs1 ZINC001164826853 720361218 /nfs/dbraw/zinc/36/12/18/720361218.db2.gz ZVEBFZKLPUVYQD-UHFFFAOYSA-N 1 2 423.546 2.103 20 0 HEADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4cccc(Cl)[n+]4[O-])CC3)C2=O)cs1 ZINC001164826705 720366044 /nfs/dbraw/zinc/36/60/44/720366044.db2.gz YIOPRKFIQBYOCO-UHFFFAOYSA-N 1 2 421.954 2.052 20 0 HEADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4cccc(Cl)[n+]4[O-])CC3)C2=O)cs1 ZINC001164826705 720366053 /nfs/dbraw/zinc/36/60/53/720366053.db2.gz YIOPRKFIQBYOCO-UHFFFAOYSA-N 1 2 421.954 2.052 20 0 HEADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nnc5ccccc5n4)CC3)C2=O)cs1 ZINC001164820366 720380579 /nfs/dbraw/zinc/38/05/79/720380579.db2.gz OXHXJYUXYCZFDW-UHFFFAOYSA-N 1 2 423.546 2.103 20 0 HEADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nnc5ccccc5n4)CC3)C2=O)cs1 ZINC001164820366 720380586 /nfs/dbraw/zinc/38/05/86/720380586.db2.gz OXHXJYUXYCZFDW-UHFFFAOYSA-N 1 2 423.546 2.103 20 0 HEADLO Cc1ccc(Cl)c(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164821898 720439107 /nfs/dbraw/zinc/43/91/07/720439107.db2.gz AKQVPOMSFQBJKI-MRXNPFEDSA-N 1 2 405.930 2.230 20 0 HEADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1ncc(F)cc1Cl)C2 ZINC001164821892 720445367 /nfs/dbraw/zinc/44/53/67/720445367.db2.gz AJIOTDZWJVNSGK-CQSZACIVSA-N 1 2 409.893 2.060 20 0 HEADLO CCCCc1cc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)ncn1 ZINC001164835536 720477486 /nfs/dbraw/zinc/47/74/86/720477486.db2.gz ZELZFBDWWUEOBX-SFHVURJKSA-N 1 2 414.554 2.005 20 0 HEADLO O=c1cc(Cn2cc[nH+]c2)nc2n1CCCN(C(F)(F)c1cccnc1Cl)C2 ZINC001164857831 720895219 /nfs/dbraw/zinc/89/52/19/720895219.db2.gz KCYWBYHAXCSNPO-UHFFFAOYSA-N 1 2 406.824 2.492 20 0 HEADLO COC(=O)c1ccc2ncnc(N3CCCn4c(C[N@H+](C)C(C)C)nnc4C3)c2c1 ZINC001165008962 721696943 /nfs/dbraw/zinc/69/69/43/721696943.db2.gz MKWPAILZDHCMOV-UHFFFAOYSA-N 1 2 409.494 2.258 20 0 HEADLO COC(=O)c1ccc2ncnc(N3CCCn4c(C[N@@H+](C)C(C)C)nnc4C3)c2c1 ZINC001165008962 721696944 /nfs/dbraw/zinc/69/69/44/721696944.db2.gz MKWPAILZDHCMOV-UHFFFAOYSA-N 1 2 409.494 2.258 20 0 HEADLO CON(C)C(=O)c1cc(Cl)nc(N2CCCn3c(C[N@H+](C)C(C)C)nnc3C2)c1 ZINC001165009658 721705126 /nfs/dbraw/zinc/70/51/26/721705126.db2.gz BPMXHVFWACHGFU-UHFFFAOYSA-N 1 2 421.933 2.210 20 0 HEADLO CON(C)C(=O)c1cc(Cl)nc(N2CCCn3c(C[N@@H+](C)C(C)C)nnc3C2)c1 ZINC001165009658 721705131 /nfs/dbraw/zinc/70/51/31/721705131.db2.gz BPMXHVFWACHGFU-UHFFFAOYSA-N 1 2 421.933 2.210 20 0 HEADLO CCOC(=O)c1ncnc(Cl)c1N1CCCn2c(C[N@H+](C)C(C)C)nnc2C1 ZINC001165008467 721710872 /nfs/dbraw/zinc/71/08/72/721710872.db2.gz FLVOZBGJLKSELN-UHFFFAOYSA-N 1 2 407.906 2.149 20 0 HEADLO CCOC(=O)c1ncnc(Cl)c1N1CCCn2c(C[N@@H+](C)C(C)C)nnc2C1 ZINC001165008467 721710875 /nfs/dbraw/zinc/71/08/75/721710875.db2.gz FLVOZBGJLKSELN-UHFFFAOYSA-N 1 2 407.906 2.149 20 0 HEADLO Cc1nc(C)c(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c(Cl)n1 ZINC001164911557 721779172 /nfs/dbraw/zinc/77/91/72/721779172.db2.gz HJIRNVMFALWQMO-FQEVSTJZSA-N 1 2 403.914 2.250 20 0 HEADLO Cc1nc(C)c(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c(Cl)n1 ZINC001164911557 721779178 /nfs/dbraw/zinc/77/91/78/721779178.db2.gz HJIRNVMFALWQMO-FQEVSTJZSA-N 1 2 403.914 2.250 20 0 HEADLO COc1cc(Cl)cc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164917559 721780869 /nfs/dbraw/zinc/78/08/69/721780869.db2.gz YBSWRMYZFXXERM-HXUWFJFHSA-N 1 2 404.898 2.246 20 0 HEADLO COc1cc(Cl)cc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164917559 721780870 /nfs/dbraw/zinc/78/08/70/721780870.db2.gz YBSWRMYZFXXERM-HXUWFJFHSA-N 1 2 404.898 2.246 20 0 HEADLO CC(C)COc1cncc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164915032 721795225 /nfs/dbraw/zinc/79/52/25/721795225.db2.gz UIZSPWFRAPAFGR-JOCHJYFZSA-N 1 2 413.522 2.014 20 0 HEADLO CC(C)COc1cncc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164915032 721795230 /nfs/dbraw/zinc/79/52/30/721795230.db2.gz UIZSPWFRAPAFGR-JOCHJYFZSA-N 1 2 413.522 2.014 20 0 HEADLO COc1nc(-c2ccccc2)nc(N2CCC3(CC2)c2[nH+]cc(C)n2CCN3C)n1 ZINC001164919008 721816904 /nfs/dbraw/zinc/81/69/04/721816904.db2.gz YIHMSTIZVJLLIY-UHFFFAOYSA-N 1 2 405.506 2.493 20 0 HEADLO Cc1nc(CN2CCOC[C@]3(CN(c4nc(C)[nH+]c5c4CCC5)CCO3)C2)cs1 ZINC001164925247 721830813 /nfs/dbraw/zinc/83/08/13/721830813.db2.gz YXDPLWXGMYKHFB-OAQYLSRUSA-N 1 2 415.563 2.146 20 0 HEADLO CCc1nc(N2CCO[C@]3(C2)COCCN(Cc2csc(C)n2)C3)cc(C)[nH+]1 ZINC001164922419 721832422 /nfs/dbraw/zinc/83/24/22/721832422.db2.gz OUCKFLGXCROHCG-HXUWFJFHSA-N 1 2 403.552 2.220 20 0 HEADLO CCOc1nc(Cl)cc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)n1 ZINC001164945004 721972149 /nfs/dbraw/zinc/97/21/49/721972149.db2.gz MOTSYTZYXKAJDJ-UHFFFAOYSA-N 1 2 415.925 2.500 20 0 HEADLO CCOc1nc(Cl)cc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)n1 ZINC001164945004 721972151 /nfs/dbraw/zinc/97/21/51/721972151.db2.gz MOTSYTZYXKAJDJ-UHFFFAOYSA-N 1 2 415.925 2.500 20 0 HEADLO CCCNC(=O)c1ccc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)nc1 ZINC001164946372 721978804 /nfs/dbraw/zinc/97/88/04/721978804.db2.gz DLOFHYJLLLEAIM-UHFFFAOYSA-N 1 2 421.545 2.192 20 0 HEADLO CCCNC(=O)c1ccc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)nc1 ZINC001164946372 721978805 /nfs/dbraw/zinc/97/88/05/721978805.db2.gz DLOFHYJLLLEAIM-UHFFFAOYSA-N 1 2 421.545 2.192 20 0 HEADLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1cc(-c3nnco3)ccn1)CC2 ZINC001164949429 721979400 /nfs/dbraw/zinc/97/94/00/721979400.db2.gz PZEBKIJPSYPEAE-UHFFFAOYSA-N 1 2 404.474 2.103 20 0 HEADLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1cc(-c3nnco3)ccn1)CC2 ZINC001164949429 721979402 /nfs/dbraw/zinc/97/94/02/721979402.db2.gz PZEBKIJPSYPEAE-UHFFFAOYSA-N 1 2 404.474 2.103 20 0 HEADLO CCCCCCn1cc(S(=O)(=O)Oc2cccc(-n3cc[nH+]c3)c2)c(=O)[nH]c1=O ZINC000769653572 1078489594 /nfs/dbraw/zinc/48/95/94/1078489594.db2.gz QKELXRCLVKTYGK-UHFFFAOYSA-N 1 2 418.475 2.483 20 0 HEADLO C[N@@H+]1CCN(S(=O)(=O)CCC(=O)OCc2ccccc2)[C@H](c2ccccc2)C1 ZINC000769750918 1078539344 /nfs/dbraw/zinc/53/93/44/1078539344.db2.gz BOYFMIGNZXLMKP-FQEVSTJZSA-N 1 2 402.516 2.438 20 0 HEADLO C[N@H+]1CCN(S(=O)(=O)CCC(=O)OCc2ccccc2)[C@H](c2ccccc2)C1 ZINC000769750918 1078539352 /nfs/dbraw/zinc/53/93/52/1078539352.db2.gz BOYFMIGNZXLMKP-FQEVSTJZSA-N 1 2 402.516 2.438 20 0 HEADLO C[C@H](CNC(=O)NCC[N@@H+]1CCO[C@H](C)C1)Oc1ccc(Br)cc1 ZINC000745791839 1078649579 /nfs/dbraw/zinc/64/95/79/1078649579.db2.gz MXXMGQZTBQPHHY-ZIAGYGMSSA-N 1 2 400.317 2.236 20 0 HEADLO C[C@H](CNC(=O)NCC[N@H+]1CCO[C@H](C)C1)Oc1ccc(Br)cc1 ZINC000745791839 1078649582 /nfs/dbraw/zinc/64/95/82/1078649582.db2.gz MXXMGQZTBQPHHY-ZIAGYGMSSA-N 1 2 400.317 2.236 20 0 HEADLO COc1ccc(C[C@H](CO)CNC(=O)NCc2[nH+]cc(C)c(OC)c2C)cc1O ZINC000745785926 1078643564 /nfs/dbraw/zinc/64/35/64/1078643564.db2.gz CYJKKYYJXCYREY-INIZCTEOSA-N 1 2 403.479 2.072 20 0 HEADLO CCCCNC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[C@@H]3CCCC[C@H]13)C2 ZINC001109546160 1078645353 /nfs/dbraw/zinc/64/53/53/1078645353.db2.gz VUFLJCMOMUYTAC-WXJALIKYSA-N 1 2 404.555 2.160 20 0 HEADLO CCCCNC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[C@@H]3CCCC[C@H]13)C2 ZINC001109546160 1078645356 /nfs/dbraw/zinc/64/53/56/1078645356.db2.gz VUFLJCMOMUYTAC-WXJALIKYSA-N 1 2 404.555 2.160 20 0 HEADLO CN(C)c1ccc([NH+]2CCC(NC(=O)N[C@H]3CCC[C@H](S(C)(=O)=O)C3)CC2)cc1 ZINC000745836087 1078660324 /nfs/dbraw/zinc/66/03/24/1078660324.db2.gz BZWDHWYDRMDEOZ-PXNSSMCTSA-N 1 2 422.595 2.376 20 0 HEADLO CC(C)(C)OC(=O)N1CC[C@@H](CCNC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)C1 ZINC000745807969 1078655562 /nfs/dbraw/zinc/65/55/62/1078655562.db2.gz HZZABFFSRUTEIU-MSOLQXFVSA-N 1 2 410.559 2.140 20 0 HEADLO C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)NCc1n[nH]c(-c2ccccc2)n1 ZINC000745836084 1078660384 /nfs/dbraw/zinc/66/03/84/1078660384.db2.gz CPNHHOCZKSVPKX-GOSISDBHSA-N 1 2 419.533 2.482 20 0 HEADLO C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)NCc1nc(-c2ccccc2)n[nH]1 ZINC000745836084 1078660387 /nfs/dbraw/zinc/66/03/87/1078660387.db2.gz CPNHHOCZKSVPKX-GOSISDBHSA-N 1 2 419.533 2.482 20 0 HEADLO COC(=O)C1=C(CN2CCC[C@H](c3[nH+]ccn3C)C2)N(C)C(=O)N[C@@H]1c1ccccc1 ZINC000770027400 1078693957 /nfs/dbraw/zinc/69/39/57/1078693957.db2.gz OYKWNMXNTKYYRY-FXAWDEMLSA-N 1 2 423.517 2.423 20 0 HEADLO C[N@H+](CC(=O)Nc1ccccc1SCC(N)=O)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000745944214 1078708754 /nfs/dbraw/zinc/70/87/54/1078708754.db2.gz KGHUTZBHGZKKLU-AWEZNQCLSA-N 1 2 422.551 2.144 20 0 HEADLO C[N@@H+](CC(=O)Nc1ccccc1SCC(N)=O)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000745944214 1078708762 /nfs/dbraw/zinc/70/87/62/1078708762.db2.gz KGHUTZBHGZKKLU-AWEZNQCLSA-N 1 2 422.551 2.144 20 0 HEADLO O=C(COC(=O)c1cnc(NC2CC2)s1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000770083849 1078711659 /nfs/dbraw/zinc/71/16/59/1078711659.db2.gz PMIACOKFOKBGFK-UHFFFAOYSA-N 1 2 406.533 2.280 20 0 HEADLO O=C(COC(=O)c1cnc(NC2CC2)s1)N1CC[NH+](Cc2cccs2)CC1 ZINC000770085588 1078712557 /nfs/dbraw/zinc/71/25/57/1078712557.db2.gz QMFXMMNSWBSAAS-UHFFFAOYSA-N 1 2 406.533 2.280 20 0 HEADLO CCNc1ncc(C(=O)OCC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)s1 ZINC000770099742 1078722988 /nfs/dbraw/zinc/72/29/88/1078722988.db2.gz OOOYSTPSRZTELD-UHFFFAOYSA-N 1 2 404.492 2.203 20 0 HEADLO C[C@@H]1CCCN1S(=O)(=O)N1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000770243597 1078783113 /nfs/dbraw/zinc/78/31/13/1078783113.db2.gz PMLJKKFJKABEPJ-CQSZACIVSA-N 1 2 407.458 2.432 20 0 HEADLO CN(C)C(=O)CCCC(=O)N1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000746119794 1078795780 /nfs/dbraw/zinc/79/57/80/1078795780.db2.gz SOEXGTQDPRYUGX-UHFFFAOYSA-N 1 2 401.429 2.488 20 0 HEADLO COC(=O)c1cc(F)c(Br)c(S(=O)(=O)N2CC[N@H+](C)[C@@H](C)[C@@H]2C)c1 ZINC000770270279 1078801249 /nfs/dbraw/zinc/80/12/49/1078801249.db2.gz SQLPGFQJQNSVDK-UWVGGRQHSA-N 1 2 423.304 2.088 20 0 HEADLO COC(=O)c1cc(F)c(Br)c(S(=O)(=O)N2CC[N@@H+](C)[C@@H](C)[C@@H]2C)c1 ZINC000770270279 1078801251 /nfs/dbraw/zinc/80/12/51/1078801251.db2.gz SQLPGFQJQNSVDK-UWVGGRQHSA-N 1 2 423.304 2.088 20 0 HEADLO CC(C)(C)OC(=O)N1CCN(C(=O)N2CC[NH+](C[C@H](O)c3ccccc3)CC2)CC1 ZINC000770278550 1078804888 /nfs/dbraw/zinc/80/48/88/1078804888.db2.gz OLBYOADYZTUAOQ-IBGZPJMESA-N 1 2 418.538 2.010 20 0 HEADLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)CC[S@@](=O)c1ccc2c(c1)OCCO2 ZINC000746158221 1078809396 /nfs/dbraw/zinc/80/93/96/1078809396.db2.gz CHWRTIYXIQIEQR-XDBZFTIUSA-N 1 2 405.520 2.383 20 0 HEADLO Cc1cc(=O)n(CC(=O)NC(C)C)c(C)c1C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000746173606 1078810394 /nfs/dbraw/zinc/81/03/94/1078810394.db2.gz IVXJJDVMSZOQNN-UHFFFAOYSA-N 1 2 421.501 2.105 20 0 HEADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)NCc1cccc(OC(C)C)c1 ZINC000770255505 1078814304 /nfs/dbraw/zinc/81/43/04/1078814304.db2.gz UATUOKGKYLAGIJ-UHFFFAOYSA-N 1 2 412.490 2.269 20 0 HEADLO Cc1cccc(OCCCNC(=O)C(=O)Nc2ccc(N3CCOCC3)[nH+]c2C)c1 ZINC000770249975 1078811143 /nfs/dbraw/zinc/81/11/43/1078811143.db2.gz DDMYCBPXOVUZEQ-UHFFFAOYSA-N 1 2 412.490 2.059 20 0 HEADLO CC[C@H](NC(=O)C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C)c1ccccc1OC ZINC000770251331 1078812416 /nfs/dbraw/zinc/81/24/16/1078812416.db2.gz MESAYMACWYWSTQ-KRWDZBQOSA-N 1 2 412.490 2.441 20 0 HEADLO COCCCNC(=O)C1CC[NH+](CN2C(=S)N=NC2Cc2cccs2)CC1 ZINC000746502199 1078817747 /nfs/dbraw/zinc/81/77/47/1078817747.db2.gz ICVIJOTXPBEYIJ-UHFFFAOYSA-N 1 2 409.581 2.041 20 0 HEADLO NS(=O)(=O)c1cc(C[NH+]2CCC(O)(c3ccccc3C(F)(F)F)CC2)co1 ZINC001170013886 1078820235 /nfs/dbraw/zinc/82/02/35/1078820235.db2.gz LMDSMRTWOBXUFU-UHFFFAOYSA-N 1 2 404.410 2.429 20 0 HEADLO COc1ccc(NC(=O)CN2CC[NH+]([C@@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)cc1 ZINC000770356798 1078839925 /nfs/dbraw/zinc/83/99/25/1078839925.db2.gz ZIYVFDVWJNELPL-GOSISDBHSA-N 1 2 418.538 2.261 20 0 HEADLO O=C(C1CC[NH+](CN2C(=S)N=NC2CCC2CCCC2)CC1)N1CCOCC1 ZINC000746501563 1078847254 /nfs/dbraw/zinc/84/72/54/1078847254.db2.gz GYEZXNZZBWELSP-UHFFFAOYSA-N 1 2 407.584 2.218 20 0 HEADLO Cc1nnc(-c2cccc(NC(=O)C(=O)N[C@H](Cn3cc[nH+]c3)C(C)(C)C)c2)n1C ZINC000746355145 1078871574 /nfs/dbraw/zinc/87/15/74/1078871574.db2.gz SQNQPCWMLRJYPF-QGZVFWFLSA-N 1 2 409.494 2.157 20 0 HEADLO CCc1coc(C[NH2+][C@H]2C[C@@H](C(=O)N3CCSC3)N(C(=O)OC(C)(C)C)C2)n1 ZINC001170015233 1078880574 /nfs/dbraw/zinc/88/05/74/1078880574.db2.gz UVEROKHVRNHAAN-GJZGRUSLSA-N 1 2 410.540 2.238 20 0 HEADLO CNC(=O)CC1CC[NH+](CN2C(=O)N[C@@](C)(c3ccc(F)cc3Cl)C2=O)CC1 ZINC000746385112 1078888333 /nfs/dbraw/zinc/88/83/33/1078888333.db2.gz QDGAGNYHEFFPJB-IBGZPJMESA-N 1 2 410.877 2.052 20 0 HEADLO O=C(COC(=O)c1ccc(-c2nc[nH]n2)cc1)N1CC[NH+](Cc2cccs2)CC1 ZINC000770574495 1078894711 /nfs/dbraw/zinc/89/47/11/1078894711.db2.gz JREJUDZFPJEQGU-UHFFFAOYSA-N 1 2 411.487 2.034 20 0 HEADLO O=C(NCc1cccc(OCC[NH+]2CCOCC2)c1)Nc1ccc(-n2nccn2)cc1 ZINC000065456427 1078915655 /nfs/dbraw/zinc/91/56/55/1078915655.db2.gz ZAAYUHBBPKYYHZ-UHFFFAOYSA-N 1 2 422.489 2.300 20 0 HEADLO CC(=O)[C@@H]1CC(C(=O)Nc2ccc(N3CCOCC3)[nH+]c2C)=NN1c1ccccc1 ZINC000770665877 1078924863 /nfs/dbraw/zinc/92/48/63/1078924863.db2.gz PEYKLSBJNLGAIX-FQEVSTJZSA-N 1 2 407.474 2.389 20 0 HEADLO CC(C)CN1N=C(C(=O)N(Cc2ccccc2)[C@H](C)C[NH+]2CCOCC2)CCC1=O ZINC000766378818 1078927552 /nfs/dbraw/zinc/92/75/52/1078927552.db2.gz AQLDOXLLPWNVSD-LJQANCHMSA-N 1 2 414.550 2.370 20 0 HEADLO CC1(C)COCC[N@@H+]1CCNC(=O)[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000766380671 1078930000 /nfs/dbraw/zinc/93/00/00/1078930000.db2.gz MTMBJZSMUAOTSX-LJQANCHMSA-N 1 2 403.523 2.262 20 0 HEADLO CC1(C)COCC[N@H+]1CCNC(=O)[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000766380671 1078930007 /nfs/dbraw/zinc/93/00/07/1078930007.db2.gz MTMBJZSMUAOTSX-LJQANCHMSA-N 1 2 403.523 2.262 20 0 HEADLO CC1(C)C[N@H+](CCNC(=O)[C@H]2CCCN(C(=O)OCc3ccccc3)C2)CCO1 ZINC000766371256 1078938183 /nfs/dbraw/zinc/93/81/83/1078938183.db2.gz SPUMJFDBYGEKJH-IBGZPJMESA-N 1 2 403.523 2.262 20 0 HEADLO CC1(C)C[N@@H+](CCNC(=O)[C@H]2CCCN(C(=O)OCc3ccccc3)C2)CCO1 ZINC000766371256 1078938189 /nfs/dbraw/zinc/93/81/89/1078938189.db2.gz SPUMJFDBYGEKJH-IBGZPJMESA-N 1 2 403.523 2.262 20 0 HEADLO CC(C)[NH+]1CCC(N(C)S(=O)(=O)c2cc(S(C)(=O)=O)sc2Cl)CC1 ZINC000770656525 1078942244 /nfs/dbraw/zinc/94/22/44/1078942244.db2.gz KTATZEKBKWKWRI-UHFFFAOYSA-N 1 2 415.002 2.298 20 0 HEADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)CCc2cccc(C(F)(F)F)c2)CC1 ZINC000766393450 1078949055 /nfs/dbraw/zinc/94/90/55/1078949055.db2.gz SLUIEFIKGYMAFW-UHFFFAOYSA-N 1 2 406.470 2.263 20 0 HEADLO COc1cc(OC)c(OC)cc1NC(=O)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000766387457 1078959339 /nfs/dbraw/zinc/95/93/39/1078959339.db2.gz FTGSGOQPMYHMQE-UHFFFAOYSA-N 1 2 410.430 2.153 20 0 HEADLO CS(=O)(=O)c1cc(S(=O)(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)c(Cl)s1 ZINC000770692431 1078960467 /nfs/dbraw/zinc/96/04/67/1078960467.db2.gz LBDZJDVFZWJCKL-VIFPVBQESA-N 1 2 409.942 2.096 20 0 HEADLO O=C(OCc1ccccc1)N1CCC[C@@H](C(=O)N2CCC[C@H]2C[NH+]2CCOCC2)C1 ZINC000766415985 1078960512 /nfs/dbraw/zinc/96/05/12/1078960512.db2.gz ZVKHMHQOFQVXGB-RTWAWAEBSA-N 1 2 415.534 2.358 20 0 HEADLO C[C@@H]1CCN(S(=O)(=O)c2cc(S(C)(=O)=O)sc2Cl)C[C@H]1n1cc[nH+]c1 ZINC000770693859 1078962725 /nfs/dbraw/zinc/96/27/25/1078962725.db2.gz ZBCKNRIQOOEKGC-GHMZBOCLSA-N 1 2 423.969 2.273 20 0 HEADLO COc1ccc(C(=O)NC(=O)C[NH+]2CCC(O)(Cc3cccc(F)c3)CC2)cc1 ZINC000770701252 1078969059 /nfs/dbraw/zinc/96/90/59/1078969059.db2.gz NCEWPEXEKXIQPC-UHFFFAOYSA-N 1 2 400.450 2.160 20 0 HEADLO Cn1ncc(NC(=O)C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)cc2)c1C1CC1 ZINC000770767501 1078985945 /nfs/dbraw/zinc/98/59/45/1078985945.db2.gz XOUAHSZCHYKWRQ-RDJZCZTQSA-N 1 2 401.898 2.451 20 0 HEADLO Cn1ncc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)cc2)c1C1CC1 ZINC000770767501 1078985953 /nfs/dbraw/zinc/98/59/53/1078985953.db2.gz XOUAHSZCHYKWRQ-RDJZCZTQSA-N 1 2 401.898 2.451 20 0 HEADLO Cc1cn(-c2ccccc2Cl)nc1C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000766441020 1079005362 /nfs/dbraw/zinc/00/53/62/1079005362.db2.gz JRILUKDRQMKYJZ-UHFFFAOYSA-N 1 2 424.954 2.073 20 0 HEADLO C[S@@](=O)CC[NH+]1CCN(CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000746468513 1079018328 /nfs/dbraw/zinc/01/83/28/1079018328.db2.gz OUAHLNZUNJHSRV-AREMUKBSSA-N 1 2 411.877 2.293 20 0 HEADLO Cc1ccc(NC(=O)N2CC[NH+](CCC(=O)Nc3sccc3C(N)=O)CC2)cc1 ZINC000746478769 1079033760 /nfs/dbraw/zinc/03/37/60/1079033760.db2.gz MPOMLZFZAQHFMC-UHFFFAOYSA-N 1 2 415.519 2.334 20 0 HEADLO C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N1CCO[C@H](C[NH+]2CCOCC2)C1 ZINC001169004528 1079097731 /nfs/dbraw/zinc/09/77/31/1079097731.db2.gz ZECIDBQSJXCSOB-CRAIPNDOSA-N 1 2 400.441 2.444 20 0 HEADLO Cn1c(CNc2cc(N3CCN(C)C(=O)C3)nc[nH+]2)nc2cc(C(F)(F)F)ccc21 ZINC001169036923 1079106035 /nfs/dbraw/zinc/10/60/35/1079106035.db2.gz ICLKHGTYCWJEAA-UHFFFAOYSA-N 1 2 419.411 2.273 20 0 HEADLO Cn1c(CNc2cc(N3CCN(C)C(=O)C3)[nH+]cn2)nc2cc(C(F)(F)F)ccc21 ZINC001169036923 1079106036 /nfs/dbraw/zinc/10/60/36/1079106036.db2.gz ICLKHGTYCWJEAA-UHFFFAOYSA-N 1 2 419.411 2.273 20 0 HEADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)N(CCNC(=O)OC(C)(C)C)Cc1ccccc1 ZINC000766590256 1079127182 /nfs/dbraw/zinc/12/71/82/1079127182.db2.gz HRSHXPYMGGGKHK-SFHVURJKSA-N 1 2 420.554 2.444 20 0 HEADLO CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)NCCn1c[nH+]cc1-c1ccccc1 ZINC001169159987 1079169105 /nfs/dbraw/zinc/16/91/05/1079169105.db2.gz ZPDMZQNHJBZMQI-GOSISDBHSA-N 1 2 404.536 2.261 20 0 HEADLO CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000771154991 1079168228 /nfs/dbraw/zinc/16/82/28/1079168228.db2.gz WAOIIJFSXNVHGT-MRXNPFEDSA-N 1 2 404.511 2.316 20 0 HEADLO NC(Cc1cccnc1)=[NH+]OCC(=O)Nc1ccc(I)cc1 ZINC000771259800 1079250473 /nfs/dbraw/zinc/25/04/73/1079250473.db2.gz DJQMIWYQTWUHKT-UHFFFAOYSA-N 1 2 410.215 2.366 20 0 HEADLO CCOC(=O)[C@@H]1CC[C@@H]([N@H+]2Cc3nccn3C[C@@H](COCc3cccnc3)C2)CO1 ZINC001169391776 1079260864 /nfs/dbraw/zinc/26/08/64/1079260864.db2.gz JZYWCYCNSYOVQY-AQNXPRMDSA-N 1 2 414.506 2.037 20 0 HEADLO CCOC(=O)[C@@H]1CC[C@@H]([N@@H+]2Cc3nccn3C[C@@H](COCc3cccnc3)C2)CO1 ZINC001169391776 1079260869 /nfs/dbraw/zinc/26/08/69/1079260869.db2.gz JZYWCYCNSYOVQY-AQNXPRMDSA-N 1 2 414.506 2.037 20 0 HEADLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 ZINC001687510879 1079263541 /nfs/dbraw/zinc/26/35/41/1079263541.db2.gz HQAWILYLSXAHGZ-FJIDUMEYSA-N 1 2 410.559 2.137 20 0 HEADLO CCOC(=O)[C@@H]1CC[C@@H]([N@H+]2Cc3nccn3C[C@@H](COCc3ccccn3)C2)CO1 ZINC001169398974 1079272589 /nfs/dbraw/zinc/27/25/89/1079272589.db2.gz UIOPFHJATCEBPS-RLLQIKCJSA-N 1 2 414.506 2.037 20 0 HEADLO CCOC(=O)[C@@H]1CC[C@@H]([N@@H+]2Cc3nccn3C[C@@H](COCc3ccccn3)C2)CO1 ZINC001169398974 1079272597 /nfs/dbraw/zinc/27/25/97/1079272597.db2.gz UIOPFHJATCEBPS-RLLQIKCJSA-N 1 2 414.506 2.037 20 0 HEADLO CCOC(=O)[C@@H]1CC[C@@H]([N@H+]2Cc3ncn(C)c3[C@@H](COCc3cccnc3)C2)CO1 ZINC001169397399 1079269416 /nfs/dbraw/zinc/26/94/16/1079269416.db2.gz NAHXZCACMQWACO-GGPKGHCWSA-N 1 2 414.506 2.042 20 0 HEADLO CCOC(=O)[C@@H]1CC[C@@H]([N@@H+]2Cc3ncn(C)c3[C@@H](COCc3cccnc3)C2)CO1 ZINC001169397399 1079269425 /nfs/dbraw/zinc/26/94/25/1079269425.db2.gz NAHXZCACMQWACO-GGPKGHCWSA-N 1 2 414.506 2.042 20 0 HEADLO COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)Nc2ccc3[nH+]c(C)cn3c2)C1=O ZINC000771320511 1079285695 /nfs/dbraw/zinc/28/56/95/1079285695.db2.gz ZGGHGCXLXHJVGL-JOCHJYFZSA-N 1 2 421.457 2.365 20 0 HEADLO COc1ccc(OC)c([C@@H](O)CNC(=O)CNc2cc[nH+]c(OCC(C)C)c2)c1 ZINC001169440881 1079291481 /nfs/dbraw/zinc/29/14/81/1079291481.db2.gz CWARTBPZUBDVJR-SFHVURJKSA-N 1 2 403.479 2.395 20 0 HEADLO CN(C)c1ccc([NH+]2CCC(NC(=O)N[C@@H]3CCO[C@@]4(CCOC4)C3)CC2)cc1 ZINC000771423756 1079315344 /nfs/dbraw/zinc/31/53/44/1079315344.db2.gz RBIFCGSDIYIJNL-GCJKJVERSA-N 1 2 402.539 2.359 20 0 HEADLO Cc1cc2c(cc1C)[C@H](C(=O)N1CC[N@@H+](C)C[C@H]1CNC(=O)OC(C)(C)C)CO2 ZINC000771399951 1079322659 /nfs/dbraw/zinc/32/26/59/1079322659.db2.gz VJEBEOJWDNOKOD-SJLPKXTDSA-N 1 2 403.523 2.447 20 0 HEADLO Cc1cc2c(cc1C)[C@H](C(=O)N1CC[N@H+](C)C[C@H]1CNC(=O)OC(C)(C)C)CO2 ZINC000771399951 1079322665 /nfs/dbraw/zinc/32/26/65/1079322665.db2.gz VJEBEOJWDNOKOD-SJLPKXTDSA-N 1 2 403.523 2.447 20 0 HEADLO C[C@@H](O)CN1CC[N@H+](CCC(=O)Nc2ccc(Br)cc2F)[C@@H](C)C1 ZINC001169540906 1079326085 /nfs/dbraw/zinc/32/60/85/1079326085.db2.gz SCSRSUYSCMDXIK-QWHCGFSZSA-N 1 2 402.308 2.304 20 0 HEADLO C[C@@H](O)CN1CC[N@@H+](CCC(=O)Nc2ccc(Br)cc2F)[C@@H](C)C1 ZINC001169540906 1079326090 /nfs/dbraw/zinc/32/60/90/1079326090.db2.gz SCSRSUYSCMDXIK-QWHCGFSZSA-N 1 2 402.308 2.304 20 0 HEADLO CCS(=O)(=O)c1ccc(Br)c(C(=O)N[C@@H]2CCc3c[nH+]cn3C2)c1 ZINC000804333156 1079345593 /nfs/dbraw/zinc/34/55/93/1079345593.db2.gz GUSPJFVSZVSFAZ-LLVKDONJSA-N 1 2 412.309 2.184 20 0 HEADLO COC(=O)c1cc(I)c(Cl)cc1NC[C@@H]1COCC[N@H+]1C ZINC001169653742 1079356622 /nfs/dbraw/zinc/35/66/22/1079356622.db2.gz KHSBTHMPAPMVOZ-SECBINFHSA-N 1 2 424.666 2.474 20 0 HEADLO CC(=O)N1CCC[C@@H]([N@H+]2Cc3ncn(C)c3[C@@H](COCc3csc(C)n3)C2)C1 ZINC001169616646 1079353579 /nfs/dbraw/zinc/35/35/79/1079353579.db2.gz XJXHPQIVEIGKGE-SJLPKXTDSA-N 1 2 403.552 2.312 20 0 HEADLO CC(=O)N1CCC[C@@H]([N@@H+]2Cc3ncn(C)c3[C@@H](COCc3csc(C)n3)C2)C1 ZINC001169616646 1079353585 /nfs/dbraw/zinc/35/35/85/1079353585.db2.gz XJXHPQIVEIGKGE-SJLPKXTDSA-N 1 2 403.552 2.312 20 0 HEADLO COC(=O)c1cc(I)c(Cl)cc1NC[C@@H]1COCC[N@@H+]1C ZINC001169653742 1079356616 /nfs/dbraw/zinc/35/66/16/1079356616.db2.gz KHSBTHMPAPMVOZ-SECBINFHSA-N 1 2 424.666 2.474 20 0 HEADLO Cc1nn2cc(S(=O)(=O)NCc3ccc(-n4cc[nH+]c4)cc3)cnc2c1Cl ZINC000766777678 1079360035 /nfs/dbraw/zinc/36/00/35/1079360035.db2.gz RSMYGKGKEHFFQJ-UHFFFAOYSA-N 1 2 402.867 2.355 20 0 HEADLO Cc1ccc(NC(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)c(Br)n1 ZINC000771502202 1079360997 /nfs/dbraw/zinc/36/09/97/1079360997.db2.gz DYUKEPZEWNEKHZ-UHFFFAOYSA-N 1 2 409.288 2.325 20 0 HEADLO CN(C[C@@H](O)CN(C)C(=O)OC(C)(C)C)C(=O)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001169665873 1079361319 /nfs/dbraw/zinc/36/13/19/1079361319.db2.gz JGKRHYOTRHAAGU-GOSISDBHSA-N 1 2 402.495 2.101 20 0 HEADLO CN(C)S(=O)(=O)c1ccc(C[NH+]2CCC3(C[C@H]3C(=O)N3CCCCC3)CC2)o1 ZINC000771467084 1079362313 /nfs/dbraw/zinc/36/23/13/1079362313.db2.gz KEIMHTUVUOOQPE-KRWDZBQOSA-N 1 2 409.552 2.145 20 0 HEADLO CC(C)(C)OC(=O)[C@H]1CC(C(=O)N[C@@H]2CCc3c[nH+]cn3C2)=NN1c1ccccc1 ZINC000804335226 1079369350 /nfs/dbraw/zinc/36/93/50/1079369350.db2.gz VCUXKLSKZYQLSM-DNVCBOLYSA-N 1 2 409.490 2.291 20 0 HEADLO CCOC(=O)N1CCC[C@H]([N@@H+]2CCn3nnc(COCc4cccnc4)c3C2)CC1 ZINC001169691224 1079372059 /nfs/dbraw/zinc/37/20/59/1079372059.db2.gz GIARSLVLDYYINV-SFHVURJKSA-N 1 2 414.510 2.217 20 0 HEADLO CCOC(=O)N1CCC[C@H]([N@H+]2CCn3nnc(COCc4cccnc4)c3C2)CC1 ZINC001169691224 1079372063 /nfs/dbraw/zinc/37/20/63/1079372063.db2.gz GIARSLVLDYYINV-SFHVURJKSA-N 1 2 414.510 2.217 20 0 HEADLO CC(C)(C)OC(=O)N1CCC[C@@H](n2cc(C(=O)N[C@@H]3CCc4c[nH+]cn4C3)cn2)C1 ZINC000804334410 1079376831 /nfs/dbraw/zinc/37/68/31/1079376831.db2.gz GAOKPILDOKCSOY-SJLPKXTDSA-N 1 2 414.510 2.396 20 0 HEADLO Cc1ccc(N2N=C(Br)C[C@@H]2C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000771557997 1079384699 /nfs/dbraw/zinc/38/46/99/1079384699.db2.gz AZXNXHHRTFGOMC-IAGOWNOFSA-N 1 2 421.339 2.215 20 0 HEADLO CC(C)(C)OC(=O)N1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000771560178 1079385070 /nfs/dbraw/zinc/38/50/70/1079385070.db2.gz NPMSBCMBFBYKCN-MANSERQUSA-N 1 2 407.555 2.488 20 0 HEADLO COc1ccccc1[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000771562565 1079386648 /nfs/dbraw/zinc/38/66/48/1079386648.db2.gz RWIYNJVEOHYZRO-APWZRJJASA-N 1 2 419.522 2.194 20 0 HEADLO COC(=O)C(C)(C)[C@H]1CCC[N@H+](Cn2nnc(-c3ccc(OC)c(OC)c3)n2)C1 ZINC000771626604 1079410654 /nfs/dbraw/zinc/41/06/54/1079410654.db2.gz NHCJULAQPUWFBJ-HNNXBMFYSA-N 1 2 403.483 2.226 20 0 HEADLO COC(=O)C(C)(C)[C@H]1CCC[N@@H+](Cn2nnc(-c3ccc(OC)c(OC)c3)n2)C1 ZINC000771626604 1079410664 /nfs/dbraw/zinc/41/06/64/1079410664.db2.gz NHCJULAQPUWFBJ-HNNXBMFYSA-N 1 2 403.483 2.226 20 0 HEADLO CC(C)S(=O)(=O)CCC[N@H+](C)Cc1cccc(N2C[C@@H](C)CS2(=O)=O)c1 ZINC001169810598 1079427998 /nfs/dbraw/zinc/42/79/98/1079427998.db2.gz IYAFAXQQHZEVLD-MRXNPFEDSA-N 1 2 402.582 2.118 20 0 HEADLO CC(C)S(=O)(=O)CCC[N@@H+](C)Cc1cccc(N2C[C@@H](C)CS2(=O)=O)c1 ZINC001169810598 1079428001 /nfs/dbraw/zinc/42/80/01/1079428001.db2.gz IYAFAXQQHZEVLD-MRXNPFEDSA-N 1 2 402.582 2.118 20 0 HEADLO CC(C)(C)OC(=O)NCC(=O)NCC(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000766839371 1079428719 /nfs/dbraw/zinc/42/87/19/1079428719.db2.gz PWINPNIEHCMFSK-UHFFFAOYSA-N 1 2 407.858 2.105 20 0 HEADLO CCC[C@H]1CN(S(=O)(=O)c2cc(C(=O)OC)ccc2Cl)CC[N@@H+]1CCOC ZINC000766851025 1079436339 /nfs/dbraw/zinc/43/63/39/1079436339.db2.gz QJKWOHMONBLDBU-HNNXBMFYSA-N 1 2 418.943 2.248 20 0 HEADLO CCC[C@H]1CN(S(=O)(=O)c2cc(C(=O)OC)ccc2Cl)CC[N@H+]1CCOC ZINC000766851025 1079436347 /nfs/dbraw/zinc/43/63/47/1079436347.db2.gz QJKWOHMONBLDBU-HNNXBMFYSA-N 1 2 418.943 2.248 20 0 HEADLO COC(=O)C(C)(C)[C@H]1CCC[N@H+](CN2C(=O)C(=O)N([C@@H](C)c3ccccc3)C2=O)C1 ZINC000771632620 1079441709 /nfs/dbraw/zinc/44/17/09/1079441709.db2.gz RVBSPCIBVVEDJG-RDJZCZTQSA-N 1 2 415.490 2.407 20 0 HEADLO COC(=O)C(C)(C)[C@H]1CCC[N@@H+](CN2C(=O)C(=O)N([C@@H](C)c3ccccc3)C2=O)C1 ZINC000771632620 1079441717 /nfs/dbraw/zinc/44/17/17/1079441717.db2.gz RVBSPCIBVVEDJG-RDJZCZTQSA-N 1 2 415.490 2.407 20 0 HEADLO Ic1cnc2ccc(-c3noc(CCn4cc[nH+]c4)n3)cn12 ZINC000771632612 1079441735 /nfs/dbraw/zinc/44/17/35/1079441735.db2.gz WXXYBWJUVIGVBZ-UHFFFAOYSA-N 1 2 406.187 2.428 20 0 HEADLO CS(=O)(=O)C1CCC([N@@H+]2CCO[C@@H]3[C@H](COCc4nccs4)CC[C@@H]32)CC1 ZINC001169880566 1079454294 /nfs/dbraw/zinc/45/42/94/1079454294.db2.gz OZFNJLMDSDVSIK-ORDBZWLFSA-N 1 2 414.593 2.495 20 0 HEADLO CS(=O)(=O)C1CCC([N@H+]2CCO[C@@H]3[C@H](COCc4nccs4)CC[C@@H]32)CC1 ZINC001169880566 1079454297 /nfs/dbraw/zinc/45/42/97/1079454297.db2.gz OZFNJLMDSDVSIK-ORDBZWLFSA-N 1 2 414.593 2.495 20 0 HEADLO COc1ccc([C@@H]2CCCN2C(=O)C[N@@H+]2CCC[C@@H](c3n[nH]c(=O)o3)C2)cc1OC ZINC001169862095 1079461115 /nfs/dbraw/zinc/46/11/15/1079461115.db2.gz DNEZPVBAHLYUSE-CVEARBPZSA-N 1 2 416.478 2.336 20 0 HEADLO COc1ccc([C@@H]2CCCN2C(=O)C[N@H+]2CCC[C@@H](c3n[nH]c(=O)o3)C2)cc1OC ZINC001169862095 1079461118 /nfs/dbraw/zinc/46/11/18/1079461118.db2.gz DNEZPVBAHLYUSE-CVEARBPZSA-N 1 2 416.478 2.336 20 0 HEADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H](NC(=O)OCc1ccccc1)c1ccccc1 ZINC000737836382 1075935209 /nfs/dbraw/zinc/93/52/09/1075935209.db2.gz FHVNULVFVUHDKB-NQIIRXRSSA-N 1 2 411.502 2.491 20 0 HEADLO C[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H](NC(=O)OCc1ccccc1)c1ccccc1 ZINC000737836382 1075935214 /nfs/dbraw/zinc/93/52/14/1075935214.db2.gz FHVNULVFVUHDKB-NQIIRXRSSA-N 1 2 411.502 2.491 20 0 HEADLO COC(=O)c1c(OC)ccc(S(=O)(=O)Oc2ccc(-n3cc[nH+]c3)cc2)c1OC ZINC000771726284 1079493203 /nfs/dbraw/zinc/49/32/03/1079493203.db2.gz QNBSOZIBTZUDCS-UHFFFAOYSA-N 1 2 418.427 2.444 20 0 HEADLO CC[C@@]1(C(C)C)NC(=O)N(C[NH+]2CCC(C(=O)NCCc3cccs3)CC2)C1=O ZINC000738029801 1075954138 /nfs/dbraw/zinc/95/41/38/1075954138.db2.gz LIRWKQBAGSKVPA-NRFANRHFSA-N 1 2 420.579 2.433 20 0 HEADLO CC[N@H+](CCC(=O)OC)CN1C(=O)N[C@](C)(c2ccc(C(F)(F)F)cc2)C1=O ZINC000738096093 1075960459 /nfs/dbraw/zinc/96/04/59/1075960459.db2.gz GTKSCDRXORBKNM-QGZVFWFLSA-N 1 2 401.385 2.315 20 0 HEADLO CC[N@@H+](CCC(=O)OC)CN1C(=O)N[C@](C)(c2ccc(C(F)(F)F)cc2)C1=O ZINC000738096093 1075960471 /nfs/dbraw/zinc/96/04/71/1075960471.db2.gz GTKSCDRXORBKNM-QGZVFWFLSA-N 1 2 401.385 2.315 20 0 HEADLO O=C(Nc1ccc(F)cc1)C1CC[NH+](CN2C(=O)C[C@@]3(CCSC3)C2=O)CC1 ZINC000738148926 1075968709 /nfs/dbraw/zinc/96/87/09/1075968709.db2.gz RJGGWPPJMRWPGX-HXUWFJFHSA-N 1 2 405.495 2.316 20 0 HEADLO C[C@@H]1Cc2ccccc2N1C(=O)C[N@H+](C)CCN1CCN(C(=O)OC(C)(C)C)CC1 ZINC000738330934 1075983050 /nfs/dbraw/zinc/98/30/50/1075983050.db2.gz XHVKKHXAJTYGFY-GOSISDBHSA-N 1 2 416.566 2.449 20 0 HEADLO C[C@@H]1Cc2ccccc2N1C(=O)C[N@@H+](C)CCN1CCN(C(=O)OC(C)(C)C)CC1 ZINC000738330934 1075983053 /nfs/dbraw/zinc/98/30/53/1075983053.db2.gz XHVKKHXAJTYGFY-GOSISDBHSA-N 1 2 416.566 2.449 20 0 HEADLO C[C@@H](c1nnnn1-c1ccccc1)N(C)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000738326755 1075991029 /nfs/dbraw/zinc/99/10/29/1075991029.db2.gz RBXUOLJTVPAIIH-KRWDZBQOSA-N 1 2 415.542 2.208 20 0 HEADLO CN(C1CCOCC1)S(=O)(=O)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000739940037 1076095232 /nfs/dbraw/zinc/09/52/32/1076095232.db2.gz KENMMNLXSNIUDZ-UHFFFAOYSA-N 1 2 421.485 2.179 20 0 HEADLO O=C(C[N@@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1)Nc1ccc(N2CCOCC2)cc1 ZINC000766253568 1076172723 /nfs/dbraw/zinc/17/27/23/1076172723.db2.gz YKYHTITXDJYAOF-KRWDZBQOSA-N 1 2 410.522 2.337 20 0 HEADLO O=C(C[N@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1)Nc1ccc(N2CCOCC2)cc1 ZINC000766253568 1076172735 /nfs/dbraw/zinc/17/27/35/1076172735.db2.gz YKYHTITXDJYAOF-KRWDZBQOSA-N 1 2 410.522 2.337 20 0 HEADLO C[C@@H]1C[N@H+](C[C@H](O)c2ccc(S(C)(=O)=O)cc2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000740882667 1076281644 /nfs/dbraw/zinc/28/16/44/1076281644.db2.gz FVSUKXKOBYWIJU-OLMNPRSZSA-N 1 2 412.552 2.359 20 0 HEADLO C[C@@H]1C[N@@H+](C[C@H](O)c2ccc(S(C)(=O)=O)cc2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000740882667 1076281653 /nfs/dbraw/zinc/28/16/53/1076281653.db2.gz FVSUKXKOBYWIJU-OLMNPRSZSA-N 1 2 412.552 2.359 20 0 HEADLO COc1c(C)c[nH+]c(CN(C)S(=O)(=O)c2ccc(N3CCOC3=O)cc2)c1C ZINC000740891675 1076292046 /nfs/dbraw/zinc/29/20/46/1076292046.db2.gz NNEBBZFZOFWFHN-UHFFFAOYSA-N 1 2 405.476 2.484 20 0 HEADLO C[C@](O)(CNC(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1)c1ccsc1 ZINC000740904923 1076298601 /nfs/dbraw/zinc/29/86/01/1076298601.db2.gz SOVHCGXRKYSMPM-NRFANRHFSA-N 1 2 416.547 2.358 20 0 HEADLO CC[C@@H](NC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)c1cc(F)ccc1F ZINC000740914550 1076303394 /nfs/dbraw/zinc/30/33/94/1076303394.db2.gz DSJFKWXXZDRHMA-QGZVFWFLSA-N 1 2 403.495 2.224 20 0 HEADLO CC[NH+](CC)[C@@H](C(=O)OCCN1C(=O)CNC1=O)c1cccc(C(F)(F)F)c1 ZINC000741025316 1076341340 /nfs/dbraw/zinc/34/13/40/1076341340.db2.gz FAZJKOAZNVHDFQ-OAHLLOKOSA-N 1 2 401.385 2.183 20 0 HEADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)N[C@@H](CCO)c2cccs2)CC1 ZINC000741056766 1076346517 /nfs/dbraw/zinc/34/65/17/1076346517.db2.gz LRXXWXRVJBZJGW-KRWDZBQOSA-N 1 2 402.520 2.381 20 0 HEADLO C[N@@H+]1CCCC[C@@H]1C(=O)OCC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000741145069 1076392258 /nfs/dbraw/zinc/39/22/58/1076392258.db2.gz KVHXFBLWOWQXHP-QGZVFWFLSA-N 1 2 413.440 2.382 20 0 HEADLO C[N@H+]1CCCC[C@@H]1C(=O)OCC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000741145069 1076392261 /nfs/dbraw/zinc/39/22/61/1076392261.db2.gz KVHXFBLWOWQXHP-QGZVFWFLSA-N 1 2 413.440 2.382 20 0 HEADLO C[N@@H+]1CCCC[C@@H]1C(=O)OCC(=O)Nc1ccccc1I ZINC000741147454 1076392595 /nfs/dbraw/zinc/39/25/95/1076392595.db2.gz UZRIYAVHJOWEFB-CYBMUJFWSA-N 1 2 402.232 2.257 20 0 HEADLO C[N@H+]1CCCC[C@@H]1C(=O)OCC(=O)Nc1ccccc1I ZINC000741147454 1076392600 /nfs/dbraw/zinc/39/26/00/1076392600.db2.gz UZRIYAVHJOWEFB-CYBMUJFWSA-N 1 2 402.232 2.257 20 0 HEADLO C[C@@H](OC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1)C(=O)N1CCc2sccc2C1 ZINC000741387697 1076496060 /nfs/dbraw/zinc/49/60/60/1076496060.db2.gz OXRBINZPRSYLMY-APWZRJJASA-N 1 2 414.527 2.466 20 0 HEADLO C[C@@H](OC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)C(=O)N1CCc2sccc2C1 ZINC000741387697 1076496065 /nfs/dbraw/zinc/49/60/65/1076496065.db2.gz OXRBINZPRSYLMY-APWZRJJASA-N 1 2 414.527 2.466 20 0 HEADLO C[C@@H](OC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1)C(=O)NC(=O)Nc1ccccc1 ZINC000741387848 1076496147 /nfs/dbraw/zinc/49/61/47/1076496147.db2.gz QJGJSDASFOOCLI-VQIMIIECSA-N 1 2 411.458 2.167 20 0 HEADLO C[C@@H](OC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1)C(=O)NC(=O)Nc1ccccc1 ZINC000741387848 1076496152 /nfs/dbraw/zinc/49/61/52/1076496152.db2.gz QJGJSDASFOOCLI-VQIMIIECSA-N 1 2 411.458 2.167 20 0 HEADLO CS(=O)(=O)Nc1ccc(COC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)cc1 ZINC000741387505 1076496781 /nfs/dbraw/zinc/49/67/81/1076496781.db2.gz ZJOKLIYQDKSLJT-LJQANCHMSA-N 1 2 404.488 2.002 20 0 HEADLO CS(=O)(=O)Nc1ccc(COC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1 ZINC000741387505 1076496783 /nfs/dbraw/zinc/49/67/83/1076496783.db2.gz ZJOKLIYQDKSLJT-LJQANCHMSA-N 1 2 404.488 2.002 20 0 HEADLO CC(C)CN(CC(F)(F)F)C(=O)COC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000741381420 1076506265 /nfs/dbraw/zinc/50/62/65/1076506265.db2.gz BWNFXVXLYLUPSO-QGZVFWFLSA-N 1 2 416.440 2.478 20 0 HEADLO CC(C)CN(CC(F)(F)F)C(=O)COC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000741381420 1076506274 /nfs/dbraw/zinc/50/62/74/1076506274.db2.gz BWNFXVXLYLUPSO-QGZVFWFLSA-N 1 2 416.440 2.478 20 0 HEADLO C[C@@H](OC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1)C(=O)NCCc1ccc(F)cc1 ZINC000741384064 1076507443 /nfs/dbraw/zinc/50/74/43/1076507443.db2.gz BKMGSAAATQQODY-DYESRHJHSA-N 1 2 414.477 2.317 20 0 HEADLO C[C@@H](OC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1)C(=O)NCCc1ccc(F)cc1 ZINC000741384064 1076507454 /nfs/dbraw/zinc/50/74/54/1076507454.db2.gz BKMGSAAATQQODY-DYESRHJHSA-N 1 2 414.477 2.317 20 0 HEADLO COc1ccc(CN(C)C(=O)COC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)cc1 ZINC000741385841 1076509065 /nfs/dbraw/zinc/50/90/65/1076509065.db2.gz INVYGCKNJKGEFY-OAQYLSRUSA-N 1 2 412.486 2.098 20 0 HEADLO COc1ccc(CN(C)C(=O)COC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1 ZINC000741385841 1076509072 /nfs/dbraw/zinc/50/90/72/1076509072.db2.gz INVYGCKNJKGEFY-OAQYLSRUSA-N 1 2 412.486 2.098 20 0 HEADLO COc1c(C)c[nH+]c(CNC(=O)NCc2cccc(S(=O)(=O)NC(C)C)c2)c1C ZINC000065304370 1076510354 /nfs/dbraw/zinc/51/03/54/1076510354.db2.gz XBQLRPLZUJGUQS-UHFFFAOYSA-N 1 2 420.535 2.393 20 0 HEADLO C[C@@H](C(=O)NC1CCCC1)N1CC[NH+](C[C@H]2CN(c3ccccc3)C(=O)O2)CC1 ZINC000741780473 1076624804 /nfs/dbraw/zinc/62/48/04/1076624804.db2.gz YUQALMHNHKXSHG-PXNSSMCTSA-N 1 2 400.523 2.077 20 0 HEADLO C[C@H](c1cccnc1)[NH+]1CCN(CC(=O)NCc2ccc(N3CCCC3=O)cc2)CC1 ZINC000741788826 1076628266 /nfs/dbraw/zinc/62/82/66/1076628266.db2.gz HCHCRDPWOCWODX-LJQANCHMSA-N 1 2 421.545 2.203 20 0 HEADLO CN(C)c1ccc([NH+]2CCC(NC(=O)[C@H]3CC(=O)N(CC(F)(F)F)C3)CC2)cc1 ZINC000741982033 1076702779 /nfs/dbraw/zinc/70/27/79/1076702779.db2.gz KAULTVHPUULTLO-AWEZNQCLSA-N 1 2 412.456 2.248 20 0 HEADLO CN(C)c1ccc([NH+]2CCC(NC(=O)Cc3nn(C)c(=O)c4ccccc34)CC2)cc1 ZINC000741983411 1076703454 /nfs/dbraw/zinc/70/34/54/1076703454.db2.gz IMWNMIBQZQEGDE-UHFFFAOYSA-N 1 2 419.529 2.327 20 0 HEADLO Cc1ccc2c(c1)C(=O)N(CC(=O)NC1CC[NH+](c3ccc(N(C)C)cc3)CC1)C2=O ZINC000741983056 1076703919 /nfs/dbraw/zinc/70/39/19/1076703919.db2.gz JVLZWZGLSIQIMX-UHFFFAOYSA-N 1 2 420.513 2.442 20 0 HEADLO CN(C)c1ccc([NH+]2CCC(NC(=O)CNC(=O)NC3CCCCC3)CC2)cc1 ZINC000742114266 1076746381 /nfs/dbraw/zinc/74/63/81/1076746381.db2.gz VIIZALFNWLWQIK-UHFFFAOYSA-N 1 2 401.555 2.470 20 0 HEADLO Cc1ccn2c(c1)ncc(C(=O)NC1CC[NH+](c3ccc(N(C)C)cc3)CC1)c2=O ZINC000742114816 1076746427 /nfs/dbraw/zinc/74/64/27/1076746427.db2.gz YGBDUHXZXJARKO-UHFFFAOYSA-N 1 2 405.502 2.468 20 0 HEADLO COC(=O)[C@@H](C)C[N@@H+](Cc1ccccc1)CN1C(=O)N[C@@H](Cc2ccccc2)C1=O ZINC000742148657 1076765311 /nfs/dbraw/zinc/76/53/11/1076765311.db2.gz AGHLELKXBIPJDO-PXNSSMCTSA-N 1 2 409.486 2.418 20 0 HEADLO COC(=O)[C@@H](C)C[N@H+](Cc1ccccc1)CN1C(=O)N[C@@H](Cc2ccccc2)C1=O ZINC000742148657 1076765319 /nfs/dbraw/zinc/76/53/19/1076765319.db2.gz AGHLELKXBIPJDO-PXNSSMCTSA-N 1 2 409.486 2.418 20 0 HEADLO C[C@H]1SCC[N@H+](CN2C(=O)NC3(CCN(C(=O)OC(C)(C)C)CC3)C2=O)[C@@H]1C ZINC000742148760 1076765594 /nfs/dbraw/zinc/76/55/94/1076765594.db2.gz CNYRIQJECBYOEG-ZIAGYGMSSA-N 1 2 412.556 2.091 20 0 HEADLO C[C@H]1SCC[N@@H+](CN2C(=O)NC3(CCN(C(=O)OC(C)(C)C)CC3)C2=O)[C@@H]1C ZINC000742148760 1076765604 /nfs/dbraw/zinc/76/56/04/1076765604.db2.gz CNYRIQJECBYOEG-ZIAGYGMSSA-N 1 2 412.556 2.091 20 0 HEADLO O=C(Nc1ccc(N2CCNC(=O)C2)c(Cl)c1)[C@@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000742244859 1076804832 /nfs/dbraw/zinc/80/48/32/1076804832.db2.gz WOBMKUOBYCVJSL-IBGZPJMESA-N 1 2 413.909 2.274 20 0 HEADLO O=C(Nc1ccc(N2CCNC(=O)C2)c(Cl)c1)[C@@H]1CCC[N@H+]1Cc1ccccn1 ZINC000742244859 1076804834 /nfs/dbraw/zinc/80/48/34/1076804834.db2.gz WOBMKUOBYCVJSL-IBGZPJMESA-N 1 2 413.909 2.274 20 0 HEADLO CCOC(=O)N1CCC(S(=O)(=O)NC[C@@H](C)[N@@H+]2CCc3sccc3C2)CC1 ZINC000742274654 1076808007 /nfs/dbraw/zinc/80/80/07/1076808007.db2.gz RKQRDCBHIWLYBH-CQSZACIVSA-N 1 2 415.581 2.035 20 0 HEADLO CCOC(=O)N1CCC(S(=O)(=O)NC[C@@H](C)[N@H+]2CCc3sccc3C2)CC1 ZINC000742274654 1076808008 /nfs/dbraw/zinc/80/80/08/1076808008.db2.gz RKQRDCBHIWLYBH-CQSZACIVSA-N 1 2 415.581 2.035 20 0 HEADLO C[C@H](Cn1cc[nH+]c1)NS(=O)(=O)C[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000742277375 1076809010 /nfs/dbraw/zinc/80/90/10/1076809010.db2.gz NKAAMOPLEGFMOG-IEBWSBKVSA-N 1 2 420.535 2.240 20 0 HEADLO COC(=O)CN(CC[NH+]1CCOCC1)Cn1c2ccccc2n(C(F)F)c1=S ZINC000742255171 1076810245 /nfs/dbraw/zinc/81/02/45/1076810245.db2.gz RFHNGLIUNUSSBS-UHFFFAOYSA-N 1 2 414.478 2.332 20 0 HEADLO O=C(OCc1ccccc1)N1CCC[C@@H](S(=O)(=O)N2CC[NH+](C3CCC3)CC2)C1 ZINC000742295989 1076820387 /nfs/dbraw/zinc/82/03/87/1076820387.db2.gz AYBPKGKIEAKFPU-HXUWFJFHSA-N 1 2 421.563 2.288 20 0 HEADLO CC(=O)N(c1nc(C[NH2+]CCOCCS(C)(=O)=O)cs1)c1ccc(C)cc1 ZINC000742374612 1076834824 /nfs/dbraw/zinc/83/48/24/1076834824.db2.gz AFFTWMYREWFXHW-UHFFFAOYSA-N 1 2 411.549 2.287 20 0 HEADLO Cc1noc(C)c1C[NH+]1CCN(CN2C(=O)CN(/C=C\c3ccccc3)C2=O)CC1 ZINC000742547403 1076850963 /nfs/dbraw/zinc/85/09/63/1076850963.db2.gz BFKNJLNIKZMJEX-HJWRWDBZSA-N 1 2 409.490 2.302 20 0 HEADLO C[C@@H]1NC(C(=O)N[C@H](Cc2[nH+]ccn2C)c2ccccc2)=NN(c2ccccc2)C1=O ZINC000742859111 1076889531 /nfs/dbraw/zinc/88/95/31/1076889531.db2.gz TYECYDKDVCAXJT-QFBILLFUSA-N 1 2 416.485 2.159 20 0 HEADLO CNc1[nH+]cnc2c1cnn2C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000766291220 1076952729 /nfs/dbraw/zinc/95/27/29/1076952729.db2.gz DLENNINTSHKSML-IRXDYDNUSA-N 1 2 412.494 2.365 20 0 HEADLO Cc1ccc(N2CCCN(C(=O)Nc3ccn(CC[NH+]4CCOCC4)n3)CC2)cc1 ZINC000743168404 1076985665 /nfs/dbraw/zinc/98/56/65/1076985665.db2.gz FVGNUVPZGMDFTI-UHFFFAOYSA-N 1 2 412.538 2.268 20 0 HEADLO COC1CC[NH+](CN2C(=O)N[C@@]3(CCCC[C@@H]3CNC(=O)OC(C)(C)C)C2=O)CC1 ZINC000743348222 1077035991 /nfs/dbraw/zinc/03/59/91/1077035991.db2.gz IBIBOCKWOCFGSV-QVKFZJNVSA-N 1 2 424.542 2.060 20 0 HEADLO COc1ccc(CCN2C(=O)C(=O)N(C[N@@H+]3CCS[C@@H](C(C)C)C3)C2=O)cc1 ZINC000743396705 1077041941 /nfs/dbraw/zinc/04/19/41/1077041941.db2.gz UZHMJFVEHQAUHP-QGZVFWFLSA-N 1 2 405.520 2.059 20 0 HEADLO COc1ccc(CCN2C(=O)C(=O)N(C[N@H+]3CCS[C@@H](C(C)C)C3)C2=O)cc1 ZINC000743396705 1077041948 /nfs/dbraw/zinc/04/19/48/1077041948.db2.gz UZHMJFVEHQAUHP-QGZVFWFLSA-N 1 2 405.520 2.059 20 0 HEADLO CC[C@H]1C[N@H+](CN2C(=O)N[C@](C)(CCc3ccc4c(c3)OCO4)C2=O)CCS1 ZINC000743399587 1077042950 /nfs/dbraw/zinc/04/29/50/1077042950.db2.gz CSKLDGZYQNQGDY-MGPUTAFESA-N 1 2 405.520 2.443 20 0 HEADLO CC[C@H]1C[N@@H+](CN2C(=O)N[C@](C)(CCc3ccc4c(c3)OCO4)C2=O)CCS1 ZINC000743399587 1077042955 /nfs/dbraw/zinc/04/29/55/1077042955.db2.gz CSKLDGZYQNQGDY-MGPUTAFESA-N 1 2 405.520 2.443 20 0 HEADLO CN(C)c1ccc([NH+]2CCC(NC(=O)NCCNC(=O)c3ccccc3)CC2)cc1 ZINC000743528619 1077064001 /nfs/dbraw/zinc/06/40/01/1077064001.db2.gz IPIAORXRPSTGLR-UHFFFAOYSA-N 1 2 409.534 2.451 20 0 HEADLO O=C(NCCCN1C(=O)COc2ccccc21)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000743564942 1077069911 /nfs/dbraw/zinc/06/99/11/1077069911.db2.gz MYAAQIRGHLKLMD-UHFFFAOYSA-N 1 2 405.458 2.487 20 0 HEADLO C[C@H]([C@H](C)NC(=O)N[C@@H]1CCCC[C@@H]1CNC(=O)OC(C)(C)C)[NH+]1CCOCC1 ZINC000743627080 1077082763 /nfs/dbraw/zinc/08/27/63/1077082763.db2.gz SFXLOZKFVBDCCD-BSDSXHPESA-N 1 2 412.575 2.478 20 0 HEADLO Cc1ccc(N2CC[C@@H](NC(=O)[C@@H](c3ccccc3)[NH+]3CCC(O)CC3)C2=O)cc1 ZINC000743634565 1077084721 /nfs/dbraw/zinc/08/47/21/1077084721.db2.gz YOCIJUMWMJNIGG-FGZHOGPDSA-N 1 2 407.514 2.415 20 0 HEADLO O=C(NCc1ccccc1OCC[NH+]1CCOCC1)c1cc2ccccc2oc1=O ZINC000743937283 1077229282 /nfs/dbraw/zinc/22/92/82/1077229282.db2.gz PNROMZPBVHYHSO-UHFFFAOYSA-N 1 2 408.454 2.434 20 0 HEADLO CN(C)c1ccc([NH+]2CCC(NC(=O)C(=O)Nc3ccc4nccnc4c3)CC2)cc1 ZINC000743945426 1077239791 /nfs/dbraw/zinc/23/97/91/1077239791.db2.gz WSYOKHLTEWFWKR-UHFFFAOYSA-N 1 2 418.501 2.420 20 0 HEADLO Cc1ccc(N2CC[C@H](NC(=O)C(=O)Nc3cccc(-n4cc[nH+]c4)c3)C2=O)cc1 ZINC000743930955 1077256774 /nfs/dbraw/zinc/25/67/74/1077256774.db2.gz SNBSYLIHNPVJTR-IBGZPJMESA-N 1 2 403.442 2.041 20 0 HEADLO COc1ccc(C[N@H+](C)CC(=O)NCC(=O)N[C@H](C)c2ccc(F)cc2)cc1F ZINC000744384539 1077376972 /nfs/dbraw/zinc/37/69/72/1077376972.db2.gz FPGVEWLVYFUQDT-CQSZACIVSA-N 1 2 405.445 2.399 20 0 HEADLO COc1ccc(C[N@@H+](C)CC(=O)NCC(=O)N[C@H](C)c2ccc(F)cc2)cc1F ZINC000744384539 1077376978 /nfs/dbraw/zinc/37/69/78/1077376978.db2.gz FPGVEWLVYFUQDT-CQSZACIVSA-N 1 2 405.445 2.399 20 0 HEADLO O=C(C[N@@H+]1CCc2c(cccc2N2CCOC2=O)C1)NC(=O)NC1CCCCC1 ZINC000744414782 1077377704 /nfs/dbraw/zinc/37/77/04/1077377704.db2.gz QHYFJYBPQSXASJ-UHFFFAOYSA-N 1 2 400.479 2.160 20 0 HEADLO O=C(C[N@H+]1CCc2c(cccc2N2CCOC2=O)C1)NC(=O)NC1CCCCC1 ZINC000744414782 1077377713 /nfs/dbraw/zinc/37/77/13/1077377713.db2.gz QHYFJYBPQSXASJ-UHFFFAOYSA-N 1 2 400.479 2.160 20 0 HEADLO COC(=O)c1ccc(NC(=O)C[N@@H+]2CCc3c(cccc3N3CCOC3=O)C2)cc1 ZINC000744414865 1077377899 /nfs/dbraw/zinc/37/78/99/1077377899.db2.gz SWTLOVGCBLRAIT-UHFFFAOYSA-N 1 2 409.442 2.427 20 0 HEADLO COC(=O)c1ccc(NC(=O)C[N@H+]2CCc3c(cccc3N3CCOC3=O)C2)cc1 ZINC000744414865 1077377903 /nfs/dbraw/zinc/37/79/03/1077377903.db2.gz SWTLOVGCBLRAIT-UHFFFAOYSA-N 1 2 409.442 2.427 20 0 HEADLO COC(=O)/C=C1\SCC(=O)N1CCC[N@H+](C)Cc1nccn1Cc1ccccc1 ZINC000744412869 1077384717 /nfs/dbraw/zinc/38/47/17/1077384717.db2.gz VCLCSTSKGLODTQ-MOSHPQCFSA-N 1 2 414.531 2.343 20 0 HEADLO COC(=O)/C=C1\SCC(=O)N1CCC[N@@H+](C)Cc1nccn1Cc1ccccc1 ZINC000744412869 1077384723 /nfs/dbraw/zinc/38/47/23/1077384723.db2.gz VCLCSTSKGLODTQ-MOSHPQCFSA-N 1 2 414.531 2.343 20 0 HEADLO C[C@H](C(=O)N1CC(=O)Nc2ccccc21)[N@@H+]1CCc2c(cccc2N2CCOC2=O)C1 ZINC000744412574 1077385092 /nfs/dbraw/zinc/38/50/92/1077385092.db2.gz RSSOKPHYVLLEKT-OAHLLOKOSA-N 1 2 420.469 2.375 20 0 HEADLO C[C@H](C(=O)N1CC(=O)Nc2ccccc21)[N@H+]1CCc2c(cccc2N2CCOC2=O)C1 ZINC000744412574 1077385097 /nfs/dbraw/zinc/38/50/97/1077385097.db2.gz RSSOKPHYVLLEKT-OAHLLOKOSA-N 1 2 420.469 2.375 20 0 HEADLO CCc1nsc(N2CC[NH+](Cc3cc(=O)oc4cc(NC(C)=O)ccc34)CC2)n1 ZINC000744423097 1077385955 /nfs/dbraw/zinc/38/59/55/1077385955.db2.gz WPRXHXIKWWCHJN-UHFFFAOYSA-N 1 2 413.503 2.488 20 0 HEADLO CC(=O)OC1CCN(C(=O)N[C@H](c2ccc(Cl)cc2)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000766320442 1077434203 /nfs/dbraw/zinc/43/42/03/1077434203.db2.gz OLFSRUDIQHRIEW-RBUKOAKNSA-N 1 2 409.914 2.449 20 0 HEADLO CC(=O)OC1CCN(C(=O)N[C@H](c2ccc(Cl)cc2)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000766320442 1077434205 /nfs/dbraw/zinc/43/42/05/1077434205.db2.gz OLFSRUDIQHRIEW-RBUKOAKNSA-N 1 2 409.914 2.449 20 0 HEADLO Cc1cc(C(N)=O)ccc1NC(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000744765512 1077576362 /nfs/dbraw/zinc/57/63/62/1077576362.db2.gz DQHQIENRUKBIHV-UHFFFAOYSA-N 1 2 412.490 2.127 20 0 HEADLO CC[N@H+](C)[C@@H](C(=O)OCC(=O)N1CCC(C(=O)N2CCCC2)CC1)c1ccccc1 ZINC000745098726 1077729560 /nfs/dbraw/zinc/72/95/60/1077729560.db2.gz VGVHCNAZEHQMNW-OAQYLSRUSA-N 1 2 415.534 2.084 20 0 HEADLO CC[N@@H+](C)[C@@H](C(=O)OCC(=O)N1CCC(C(=O)N2CCCC2)CC1)c1ccccc1 ZINC000745098726 1077729571 /nfs/dbraw/zinc/72/95/71/1077729571.db2.gz VGVHCNAZEHQMNW-OAQYLSRUSA-N 1 2 415.534 2.084 20 0 HEADLO COc1c(C)c[nH+]c(CNC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)c1C ZINC000065402785 1077737093 /nfs/dbraw/zinc/73/70/93/1077737093.db2.gz TYSPJHLMQNIBTA-UHFFFAOYSA-N 1 2 424.360 2.472 20 0 HEADLO O=C(O[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1OC(=O)[C@@H]1CCCCO1)[C@@H]1CCCCO1 ZINC000766323351 1077752954 /nfs/dbraw/zinc/75/29/54/1077752954.db2.gz ZXVUBJBKISCVGA-XSDIEEQYSA-N 1 2 417.502 2.464 20 0 HEADLO O=C(O[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1OC(=O)[C@@H]1CCCCO1)[C@@H]1CCCCO1 ZINC000766323351 1077752962 /nfs/dbraw/zinc/75/29/62/1077752962.db2.gz ZXVUBJBKISCVGA-XSDIEEQYSA-N 1 2 417.502 2.464 20 0 HEADLO Cc1ccc(N2CC[C@@H](NC(=O)NC[C@H]3C[N@H+](Cc4ccccc4)CCO3)C2=O)cc1 ZINC000745290369 1077804440 /nfs/dbraw/zinc/80/44/40/1077804440.db2.gz XWTJHXYHWQYBCS-FCHUYYIVSA-N 1 2 422.529 2.301 20 0 HEADLO Cc1ccc(N2CC[C@@H](NC(=O)NC[C@H]3C[N@@H+](Cc4ccccc4)CCO3)C2=O)cc1 ZINC000745290369 1077804442 /nfs/dbraw/zinc/80/44/42/1077804442.db2.gz XWTJHXYHWQYBCS-FCHUYYIVSA-N 1 2 422.529 2.301 20 0 HEADLO C[C@@H](C(=O)Nc1sccc1C(N)=O)[N@@H+]1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000771792348 1079509504 /nfs/dbraw/zinc/50/95/04/1079509504.db2.gz VQDWMQDQSQAMKA-UONOGXRCSA-N 1 2 416.551 2.372 20 0 HEADLO C[C@@H](C(=O)Nc1sccc1C(N)=O)[N@H+]1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000771792348 1079509509 /nfs/dbraw/zinc/50/95/09/1079509509.db2.gz VQDWMQDQSQAMKA-UONOGXRCSA-N 1 2 416.551 2.372 20 0 HEADLO COC(=O)[C@H](c1cc(OC)cc(OC)c1)[N@@H+]1CCC[C@@H]1C[C@@H](O)c1cnn(C)c1 ZINC000766946690 1079534984 /nfs/dbraw/zinc/53/49/84/1079534984.db2.gz QUNNCJBHEWNMNQ-AHRSYUTCSA-N 1 2 403.479 2.240 20 0 HEADLO COC(=O)[C@H](c1cc(OC)cc(OC)c1)[N@H+]1CCC[C@@H]1C[C@@H](O)c1cnn(C)c1 ZINC000766946690 1079534995 /nfs/dbraw/zinc/53/49/95/1079534995.db2.gz QUNNCJBHEWNMNQ-AHRSYUTCSA-N 1 2 403.479 2.240 20 0 HEADLO COC(=O)C[C@@H]1CCC[N@@H+]1Cn1c2cc(S(=O)(=O)N(C)C)ccc2oc1=S ZINC000771868205 1079558134 /nfs/dbraw/zinc/55/81/34/1079558134.db2.gz MRWSVQJUAQICSU-LBPRGKRZSA-N 1 2 413.521 2.199 20 0 HEADLO COC(=O)C[C@@H]1CCC[N@H+]1Cn1c2cc(S(=O)(=O)N(C)C)ccc2oc1=S ZINC000771868205 1079558149 /nfs/dbraw/zinc/55/81/49/1079558149.db2.gz MRWSVQJUAQICSU-LBPRGKRZSA-N 1 2 413.521 2.199 20 0 HEADLO CC(=O)N[C@@H](Cc1c[nH]c2ccc(Br)cc12)C(=O)OCCn1cc[nH+]c1 ZINC000771976420 1079655387 /nfs/dbraw/zinc/65/53/87/1079655387.db2.gz SBQKKCRYFDEDSD-KRWDZBQOSA-N 1 2 419.279 2.418 20 0 HEADLO COc1cc(OC)c(NC(=O)COC(=O)C[N@H+](C)[C@H]2CCSC2)cc1Cl ZINC000772048137 1079669013 /nfs/dbraw/zinc/66/90/13/1079669013.db2.gz LHPNPVDFOPHCFW-NSHDSACASA-N 1 2 402.900 2.276 20 0 HEADLO COc1cc(OC)c(NC(=O)COC(=O)C[N@@H+](C)[C@H]2CCSC2)cc1Cl ZINC000772048137 1079669016 /nfs/dbraw/zinc/66/90/16/1079669016.db2.gz LHPNPVDFOPHCFW-NSHDSACASA-N 1 2 402.900 2.276 20 0 HEADLO CCOC1CC(CNC(=O)/C=C/c2ccc(OC)c(OC)c2)([NH+]2CCOCC2)C1 ZINC000767175762 1079709380 /nfs/dbraw/zinc/70/93/80/1079709380.db2.gz OVAHFNPCPVPMPL-SOFGYWHQSA-N 1 2 404.507 2.103 20 0 HEADLO CC1([C@H]2CCCN(c3cc(N4CCC[C@H](C5(C)OCCO5)C4)[nH+]cn3)C2)OCCO1 ZINC000772160189 1079735470 /nfs/dbraw/zinc/73/54/70/1079735470.db2.gz AVZIHLQRPHXOMQ-ROUUACIJSA-N 1 2 418.538 2.435 20 0 HEADLO C[C@H](NS(=O)(=O)CCC(=O)OCc1ccccc1)C1([NH+]2CCOCC2)CCCC1 ZINC000767292848 1079793786 /nfs/dbraw/zinc/79/37/86/1079793786.db2.gz UVMJAWYEZRYUMY-SFHVURJKSA-N 1 2 424.563 2.073 20 0 HEADLO CSc1cccc(NC(=O)C[NH+]2CCC(Oc3ccnc(C(N)=O)c3)CC2)c1 ZINC000772327508 1079822651 /nfs/dbraw/zinc/82/26/51/1079822651.db2.gz GKOHWDSUZCVQKS-UHFFFAOYSA-N 1 2 400.504 2.384 20 0 HEADLO Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)OCc2cc[nH+]c(N(C)C)c2)cc1 ZINC000767399736 1079847251 /nfs/dbraw/zinc/84/72/51/1079847251.db2.gz MQGCTOMCVQNALD-SFHVURJKSA-N 1 2 403.504 2.353 20 0 HEADLO O=C(N[C@@H](Cc1ccccc1)C(=O)OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccccc1 ZINC000767420111 1079855451 /nfs/dbraw/zinc/85/54/51/1079855451.db2.gz QATUYXAZRFJNHI-BDTNDASRSA-N 1 2 408.498 2.434 20 0 HEADLO O=C(N[C@@H](Cc1ccccc1)C(=O)OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccccc1 ZINC000767420111 1079855453 /nfs/dbraw/zinc/85/54/53/1079855453.db2.gz QATUYXAZRFJNHI-BDTNDASRSA-N 1 2 408.498 2.434 20 0 HEADLO CC(C)(C)OC(=O)N1CC[N@H+](CC2(O)CCS(=O)(=O)CC2)C2(CCCCC2)C1 ZINC000767430534 1079859368 /nfs/dbraw/zinc/85/93/68/1079859368.db2.gz RMEKDJVKBHPNCG-UHFFFAOYSA-N 1 2 416.584 2.182 20 0 HEADLO CC(C)(C)OC(=O)N1CC[N@@H+](CC2(O)CCS(=O)(=O)CC2)C2(CCCCC2)C1 ZINC000767430534 1079859373 /nfs/dbraw/zinc/85/93/73/1079859373.db2.gz RMEKDJVKBHPNCG-UHFFFAOYSA-N 1 2 416.584 2.182 20 0 HEADLO Cc1nnnn1/C(=C\c1ccc(F)cc1)C(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000746540420 1079878802 /nfs/dbraw/zinc/87/88/02/1079878802.db2.gz TVGFGUBSBVERDX-UNOMPAQXSA-N 1 2 405.437 2.434 20 0 HEADLO O=C(Cc1csc(NC(=O)c2ccccc2F)n1)OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000767503017 1079894228 /nfs/dbraw/zinc/89/42/28/1079894228.db2.gz WLIYWHHCDBZFKX-GASCZTMLSA-N 1 2 419.478 2.483 20 0 HEADLO O=C(Cc1csc(NC(=O)c2ccccc2F)n1)OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000767503017 1079894229 /nfs/dbraw/zinc/89/42/29/1079894229.db2.gz WLIYWHHCDBZFKX-GASCZTMLSA-N 1 2 419.478 2.483 20 0 HEADLO CC(C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000767482615 1079899886 /nfs/dbraw/zinc/89/98/86/1079899886.db2.gz NFDYLFYGHORRQT-UEXGIBASSA-N 1 2 413.518 2.258 20 0 HEADLO CC(C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000767482615 1079899892 /nfs/dbraw/zinc/89/98/92/1079899892.db2.gz NFDYLFYGHORRQT-UEXGIBASSA-N 1 2 413.518 2.258 20 0 HEADLO O=C(OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)[C@@H]1CCN(c2ccccc2Br)C1=O ZINC000767506714 1079910340 /nfs/dbraw/zinc/91/03/40/1079910340.db2.gz XVYRADKVQFFGKG-QLFBSQMISA-N 1 2 423.307 2.208 20 0 HEADLO O=C(OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)[C@@H]1CCN(c2ccccc2Br)C1=O ZINC000767506714 1079910355 /nfs/dbraw/zinc/91/03/55/1079910355.db2.gz XVYRADKVQFFGKG-QLFBSQMISA-N 1 2 423.307 2.208 20 0 HEADLO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1NC(=O)N[C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000772538029 1079920758 /nfs/dbraw/zinc/92/07/58/1079920758.db2.gz XFZOMADFJQJOGB-HZPDHXFCSA-N 1 2 422.555 2.292 20 0 HEADLO COc1cc(C)c(C[NH+]2CCN(C(=O)COC(=O)[C@@H]3C[C@@H]3C(C)C)CC2)cc1OC ZINC000772504424 1079930572 /nfs/dbraw/zinc/93/05/72/1079930572.db2.gz YFJNBTGBBSFDJU-RTBURBONSA-N 1 2 418.534 2.492 20 0 HEADLO C[C@@H](OC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1)C(=O)c1ccc(F)cc1 ZINC000767536234 1079936262 /nfs/dbraw/zinc/93/62/62/1079936262.db2.gz FMRNKOATOKXLDU-MRXNPFEDSA-N 1 2 413.449 2.464 20 0 HEADLO Cc1ccc(NC(=O)COC(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)c(C)c1 ZINC000767538873 1079941164 /nfs/dbraw/zinc/94/11/64/1079941164.db2.gz MHJLSNFRAGTMKE-UHFFFAOYSA-N 1 2 424.501 2.309 20 0 HEADLO COC(=O)c1ccc(COC(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)s1 ZINC000767540542 1079946654 /nfs/dbraw/zinc/94/66/54/1079946654.db2.gz YOYITQAPPCPIOY-UHFFFAOYSA-N 1 2 417.487 2.102 20 0 HEADLO O=C(c1ccccc1)c1ccccc1S(=O)(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000772571524 1079973908 /nfs/dbraw/zinc/97/39/08/1079973908.db2.gz HNHKRTJUXFEOGQ-MSOLQXFVSA-N 1 2 400.500 2.059 20 0 HEADLO O=C(c1ccccc1)c1ccccc1S(=O)(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000772571524 1079973927 /nfs/dbraw/zinc/97/39/27/1079973927.db2.gz HNHKRTJUXFEOGQ-MSOLQXFVSA-N 1 2 400.500 2.059 20 0 HEADLO COc1ccc(C(=O)OCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)cc1I ZINC000767569207 1079978861 /nfs/dbraw/zinc/97/88/61/1079978861.db2.gz RCMXLZTWVVUXLX-BETUJISGSA-N 1 2 417.243 2.320 20 0 HEADLO COc1ccc(C(=O)OCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)cc1I ZINC000767569207 1079978879 /nfs/dbraw/zinc/97/88/79/1079978879.db2.gz RCMXLZTWVVUXLX-BETUJISGSA-N 1 2 417.243 2.320 20 0 HEADLO Cc1ccc(S(=O)(=O)N[C@@H](CC[N@@H+]2CCOC[C@H]2CCO)c2ccccc2)cc1 ZINC000767597783 1079996559 /nfs/dbraw/zinc/99/65/59/1079996559.db2.gz IAHRLZOAAYMCKB-IRLDBZIGSA-N 1 2 418.559 2.488 20 0 HEADLO Cc1ccc(S(=O)(=O)N[C@@H](CC[N@H+]2CCOC[C@H]2CCO)c2ccccc2)cc1 ZINC000767597783 1079996571 /nfs/dbraw/zinc/99/65/71/1079996571.db2.gz IAHRLZOAAYMCKB-IRLDBZIGSA-N 1 2 418.559 2.488 20 0 HEADLO COc1c(C)c[nH+]c(CNC(=O)C(=O)NCc2c(C)nn(-c3ccccc3)c2C)c1C ZINC000785498415 1080021528 /nfs/dbraw/zinc/02/15/28/1080021528.db2.gz JGHDYBIPTLCZLH-UHFFFAOYSA-N 1 2 421.501 2.442 20 0 HEADLO CCOc1ccnc(N2CCC[N@@H+]([C@H]3CC(=O)N(c4ccc(C)cc4)C3=O)CC2)n1 ZINC000767710423 1080044464 /nfs/dbraw/zinc/04/44/64/1080044464.db2.gz QJUDBKXVYYFUSA-SFHVURJKSA-N 1 2 409.490 2.028 20 0 HEADLO CCOc1ccnc(N2CCC[N@H+]([C@H]3CC(=O)N(c4ccc(C)cc4)C3=O)CC2)n1 ZINC000767710423 1080044474 /nfs/dbraw/zinc/04/44/74/1080044474.db2.gz QJUDBKXVYYFUSA-SFHVURJKSA-N 1 2 409.490 2.028 20 0 HEADLO COc1cccc([C@@H]2CN(C(=O)CCc3c(C)nc4c(c(=O)[nH]n4C)c3C)CC[NH2+]2)c1 ZINC001169973846 1080056172 /nfs/dbraw/zinc/05/61/72/1080056172.db2.gz FPAPLKHKTQWVBA-IBGZPJMESA-N 1 2 423.517 2.405 20 0 HEADLO C[C@@H](C(=O)NC1CCC(C)CC1)[NH+]1CCN(c2ccc(NS(C)(=O)=O)cc2)CC1 ZINC000767745484 1080062628 /nfs/dbraw/zinc/06/26/28/1080062628.db2.gz JZVLMMFVGFZCFX-ADKAHSJRSA-N 1 2 422.595 2.264 20 0 HEADLO C[C@H](C(=O)Nc1ccccc1)[NH+]1CCN(c2ccc(NS(C)(=O)=O)cc2)CC1 ZINC000767745671 1080063732 /nfs/dbraw/zinc/06/37/32/1080063732.db2.gz BHBHZGNCYFNLPV-MRXNPFEDSA-N 1 2 402.520 2.207 20 0 HEADLO COc1cc(C(=O)N2CC[N@H+](C)C[C@@H]2CNC(=O)OC(C)(C)C)cc(Cl)c1O ZINC000785601103 1080070702 /nfs/dbraw/zinc/07/07/02/1080070702.db2.gz KPUQABIWOHWZHP-ZDUSSCGKSA-N 1 2 413.902 2.335 20 0 HEADLO COc1cc(C(=O)N2CC[N@@H+](C)C[C@@H]2CNC(=O)OC(C)(C)C)cc(Cl)c1O ZINC000785601103 1080070710 /nfs/dbraw/zinc/07/07/10/1080070710.db2.gz KPUQABIWOHWZHP-ZDUSSCGKSA-N 1 2 413.902 2.335 20 0 HEADLO COc1cccc([C@H]2CN(C(=O)[C@@H](C)CS(=O)(=O)c3ccc(F)cc3)CC[NH2+]2)c1 ZINC001169974874 1080079766 /nfs/dbraw/zinc/07/97/66/1080079766.db2.gz LXEVCDVWKNUSEK-MGPUTAFESA-N 1 2 420.506 2.417 20 0 HEADLO COc1cccc([C@@H]2CN(C(=O)[C@H](C)CS(=O)(=O)c3ccc(F)cc3)CC[NH2+]2)c1 ZINC001169974875 1080079921 /nfs/dbraw/zinc/07/99/21/1080079921.db2.gz LXEVCDVWKNUSEK-QRWLVFNGSA-N 1 2 420.506 2.417 20 0 HEADLO O=C(OCc1c(Cl)ccc2cccnc21)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000785656159 1080175654 /nfs/dbraw/zinc/17/56/54/1080175654.db2.gz VPNAPDPPVCSPMZ-INIZCTEOSA-N 1 2 417.893 2.112 20 0 HEADLO O=C(OCC1CCC(C(F)(F)F)CC1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000785659681 1080181899 /nfs/dbraw/zinc/18/18/99/1080181899.db2.gz IFFFPQGPJWOBJR-HWOWSKLDSA-N 1 2 406.445 2.079 20 0 HEADLO CCOC1CC(CNC(=O)N2CCN(c3ccc(C)cc3)CC2)([NH+]2CCOCC2)C1 ZINC000767887516 1080202756 /nfs/dbraw/zinc/20/27/56/1080202756.db2.gz JLCIICKRBDKGEI-UHFFFAOYSA-N 1 2 416.566 2.097 20 0 HEADLO COc1ccc(NC(=O)c2cccc3[nH+]ccn32)cc1S(=O)(=O)N1CCCC1 ZINC000785751838 1080232009 /nfs/dbraw/zinc/23/20/09/1080232009.db2.gz IAQHARGUHDMGAY-UHFFFAOYSA-N 1 2 400.460 2.380 20 0 HEADLO COc1cc(NC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)ccc1OC(C)C ZINC000767974110 1080244439 /nfs/dbraw/zinc/24/44/39/1080244439.db2.gz FCATXYUZWPLNQE-UHFFFAOYSA-N 1 2 413.540 2.113 20 0 HEADLO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)c1ccc(Cl)c(S(C)(=O)=O)c1 ZINC000785813287 1080254518 /nfs/dbraw/zinc/25/45/18/1080254518.db2.gz VGWKHDNBYVTALX-ZDUSSCGKSA-N 1 2 400.928 2.069 20 0 HEADLO C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)c1ccc(Cl)c(S(C)(=O)=O)c1 ZINC000785813287 1080254524 /nfs/dbraw/zinc/25/45/24/1080254524.db2.gz VGWKHDNBYVTALX-ZDUSSCGKSA-N 1 2 400.928 2.069 20 0 HEADLO COc1c(C)c[nH+]c(CNC(=O)C(=O)Nc2ccc(-c3nnc(N(C)C)o3)cc2)c1C ZINC000768056301 1080297468 /nfs/dbraw/zinc/29/74/68/1080297468.db2.gz XTYYNFIRQOQGQW-UHFFFAOYSA-N 1 2 424.461 2.078 20 0 HEADLO CC(C)(C)OC(=O)N1C[C@H]2CC(C(=O)N3CC[NH+](C4CCC4)CC3)C[C@@H](C1)C2=O ZINC000768142369 1080349781 /nfs/dbraw/zinc/34/97/81/1080349781.db2.gz BEMAQYHRAFIDPE-ALOPSCKCSA-N 1 2 405.539 2.145 20 0 HEADLO COCC[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000768154642 1080373357 /nfs/dbraw/zinc/37/33/57/1080373357.db2.gz WYFFKZHWNDKGDM-MOPGFXCFSA-N 1 2 414.506 2.458 20 0 HEADLO Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)cc1 ZINC000768154968 1080373488 /nfs/dbraw/zinc/37/34/88/1080373488.db2.gz ZQDXAJXSYFKUIK-HKUYNNGSSA-N 1 2 416.547 2.288 20 0 HEADLO CN(CCCn1cc[nH+]c1)C(=O)CN1C(=O)N[C@@](C)(c2ccc3ccccc3c2)C1=O ZINC000768323475 1080485852 /nfs/dbraw/zinc/48/58/52/1080485852.db2.gz HTAIPZCBRLVFOZ-QHCPKHFHSA-N 1 2 419.485 2.352 20 0 HEADLO CCS(=O)(=O)CCn1cc(C)c(NC(=O)c2cccc(Cn3cc[nH+]c3)c2)n1 ZINC000786254733 1080492504 /nfs/dbraw/zinc/49/25/04/1080492504.db2.gz QSHMKFFJRTXUJJ-UHFFFAOYSA-N 1 2 401.492 2.123 20 0 HEADLO COC(=O)CCc1cccc(NC(=O)C(=O)NCc2ccccc2-n2cc[nH+]c2)c1 ZINC000786291414 1080536788 /nfs/dbraw/zinc/53/67/88/1080536788.db2.gz FFCSJURVADITEL-UHFFFAOYSA-N 1 2 406.442 2.233 20 0 HEADLO CN(CSc1nnc(C[NH+]2CCCC2)n1-c1ccc(Cl)cc1)S(C)(=O)=O ZINC000768416030 1080570301 /nfs/dbraw/zinc/57/03/01/1080570301.db2.gz IRKDFTLLOWRYDD-UHFFFAOYSA-N 1 2 415.972 2.458 20 0 HEADLO C[C@H](c1nnc(SCN(C)S(C)(=O)=O)n1-c1ccc(Cl)cc1)[NH+](C)C ZINC000768417045 1080570641 /nfs/dbraw/zinc/57/06/41/1080570641.db2.gz PIMFURJZTAFNEN-LLVKDONJSA-N 1 2 403.961 2.484 20 0 HEADLO CCc1ccc([C@]2(CC)NC(=O)N(C[NH+]3CCC(CC(=O)NC)CC3)C2=O)cc1 ZINC000768497363 1080593274 /nfs/dbraw/zinc/59/32/74/1080593274.db2.gz UQMNFOJNKZGAHC-QFIPXVFZSA-N 1 2 400.523 2.212 20 0 HEADLO O=C(COC(=O)c1csc(NC2CC2)n1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000768656325 1080702490 /nfs/dbraw/zinc/70/24/90/1080702490.db2.gz JIEVQIDNPQXXFH-UHFFFAOYSA-N 1 2 416.503 2.345 20 0 HEADLO CO[C@@H](CNC(=O)C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1)c1ccccc1 ZINC000786658288 1080743284 /nfs/dbraw/zinc/74/32/84/1080743284.db2.gz UHAMOYLNIBJYFP-QFIPXVFZSA-N 1 2 424.545 2.342 20 0 HEADLO C[C@H]1CN(c2ccc(NC(=O)C(=O)N(C)CCCn3cc[nH+]c3)cc2F)C[C@H](C)O1 ZINC000768740023 1080764134 /nfs/dbraw/zinc/76/41/34/1080764134.db2.gz NEIWYNMSWCZGDV-HOTGVXAUSA-N 1 2 417.485 2.123 20 0 HEADLO CN(CC[N@H+](C)CC(=O)Nc1cc(-n2cnnn2)ccc1Cl)C(=O)OC(C)(C)C ZINC000768744867 1080769155 /nfs/dbraw/zinc/76/91/55/1080769155.db2.gz IELHNTCOYSEAOF-UHFFFAOYSA-N 1 2 423.905 2.053 20 0 HEADLO CN(CC[N@@H+](C)CC(=O)Nc1cc(-n2cnnn2)ccc1Cl)C(=O)OC(C)(C)C ZINC000768744867 1080769165 /nfs/dbraw/zinc/76/91/65/1080769165.db2.gz IELHNTCOYSEAOF-UHFFFAOYSA-N 1 2 423.905 2.053 20 0 HEADLO CCS(=O)(=O)CCn1cc(C)c(NC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)n1 ZINC000786731656 1080781558 /nfs/dbraw/zinc/78/15/58/1080781558.db2.gz FLJJQKKNXMIUNK-UHFFFAOYSA-N 1 2 416.507 2.134 20 0 HEADLO C[N@H+](CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)Cc1ccc(N2CCCC2)nc1 ZINC000768989950 1080877775 /nfs/dbraw/zinc/87/77/75/1080877775.db2.gz DONATZLRKLKZPO-UHFFFAOYSA-N 1 2 417.554 2.193 20 0 HEADLO C[N@@H+](CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)Cc1ccc(N2CCCC2)nc1 ZINC000768989950 1080877778 /nfs/dbraw/zinc/87/77/78/1080877778.db2.gz DONATZLRKLKZPO-UHFFFAOYSA-N 1 2 417.554 2.193 20 0 HEADLO Cc1ccncc1/C=C\C(=O)OCC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000786911250 1080880765 /nfs/dbraw/zinc/88/07/65/1080880765.db2.gz MVBKRIHHOGORSY-SREVYHEPSA-N 1 2 409.486 2.095 20 0 HEADLO O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)OCc1cc(-c2cccs2)on1 ZINC000786994556 1080903683 /nfs/dbraw/zinc/90/36/83/1080903683.db2.gz DGBYQSUBOGRKIK-INIZCTEOSA-N 1 2 419.503 2.160 20 0 HEADLO O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)OCc1coc(-c2ccccc2)n1 ZINC000786996728 1080907104 /nfs/dbraw/zinc/90/71/04/1080907104.db2.gz GPRNKBQNBGRCCN-IBGZPJMESA-N 1 2 413.474 2.098 20 0 HEADLO CC(C)Oc1ccc(COC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)cc1 ZINC000786998285 1080910184 /nfs/dbraw/zinc/91/01/84/1080910184.db2.gz JIAQSOTVMRHCCF-FQEVSTJZSA-N 1 2 404.507 2.230 20 0 HEADLO Cc1cc(COC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)c2ccccc2n1 ZINC000786998870 1080911669 /nfs/dbraw/zinc/91/16/69/1080911669.db2.gz RGSXDTIPMXPZGH-OAQYLSRUSA-N 1 2 411.502 2.300 20 0 HEADLO Cc1ccc(OCCCOC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)cc1C ZINC000787000718 1080912113 /nfs/dbraw/zinc/91/21/13/1080912113.db2.gz MARSQYIUUSYAAC-NRFANRHFSA-N 1 2 418.534 2.329 20 0 HEADLO CC(C)Oc1cccc(COC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)c1 ZINC000787002151 1080916042 /nfs/dbraw/zinc/91/60/42/1080916042.db2.gz SEFLBMSGSBXJHU-FQEVSTJZSA-N 1 2 404.507 2.230 20 0 HEADLO O=C(NCCS(=O)(=O)CC1CC1)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000769142191 1080957748 /nfs/dbraw/zinc/95/77/48/1080957748.db2.gz ATBBWLCDRWFFLS-RTBURBONSA-N 1 2 402.520 2.236 20 0 HEADLO CC(C)(NC(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1)C1CCOCC1 ZINC000787065488 1080976200 /nfs/dbraw/zinc/97/62/00/1080976200.db2.gz QPHOXOMQQQUDTK-UHFFFAOYSA-N 1 2 405.539 2.402 20 0 HEADLO CC(=O)Nc1cc(NC(=O)N2CC[N@@H+](C)C[C@@H]2CNC(=O)OC(C)(C)C)ccc1F ZINC000769239576 1081012472 /nfs/dbraw/zinc/01/24/72/1081012472.db2.gz XEDHPCBCPPIHBQ-HNNXBMFYSA-N 1 2 423.489 2.457 20 0 HEADLO CC(=O)Nc1cc(NC(=O)N2CC[N@H+](C)C[C@@H]2CNC(=O)OC(C)(C)C)ccc1F ZINC000769239576 1081012483 /nfs/dbraw/zinc/01/24/83/1081012483.db2.gz XEDHPCBCPPIHBQ-HNNXBMFYSA-N 1 2 423.489 2.457 20 0 HEADLO COc1ccc(OCC(=O)N2CC[N@H+](C)C[C@@H]2CNC(=O)OC(C)(C)C)cc1C ZINC000769270559 1081024261 /nfs/dbraw/zinc/02/42/61/1081024261.db2.gz AHTBRMXHPIJQDK-INIZCTEOSA-N 1 2 407.511 2.050 20 0 HEADLO COc1ccc(OCC(=O)N2CC[N@@H+](C)C[C@@H]2CNC(=O)OC(C)(C)C)cc1C ZINC000769270559 1081024265 /nfs/dbraw/zinc/02/42/65/1081024265.db2.gz AHTBRMXHPIJQDK-INIZCTEOSA-N 1 2 407.511 2.050 20 0 HEADLO COc1ccccc1CC(=O)N1CC[NH+]([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000769300041 1081034210 /nfs/dbraw/zinc/03/42/10/1081034210.db2.gz VHFSFRPKJFRNNP-SFHVURJKSA-N 1 2 403.523 2.391 20 0 HEADLO CC(C)(C)OC(=O)NC1CC[NH+](CC(=O)N[C@@H]2CCN(C3CCCCC3)C2=O)CC1 ZINC000769301700 1081035546 /nfs/dbraw/zinc/03/55/46/1081035546.db2.gz FXMZWVBRZPYSHN-GOSISDBHSA-N 1 2 422.570 2.025 20 0 HEADLO CCCCOc1cc(OC)ccc1C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000769375892 1081056918 /nfs/dbraw/zinc/05/69/18/1081056918.db2.gz LDZDVNHBEDGRFQ-UHFFFAOYSA-N 1 2 412.552 2.113 20 0 HEADLO C[S@](=O)CC[NH+]1CCN(Cc2cc(Br)c3c(c2)OCCCO3)CC1 ZINC000769478664 1081093814 /nfs/dbraw/zinc/09/38/14/1081093814.db2.gz FCSYWXGQRYAJFT-DEOSSOPVSA-N 1 2 417.369 2.107 20 0 HEADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)C(=O)N1CCC[C@H]1C[C@H](O)c1ccco1 ZINC000787298832 1081097640 /nfs/dbraw/zinc/09/76/40/1081097640.db2.gz QFQINDPQWKTBSD-PMACEKPBSA-N 1 2 422.485 2.255 20 0 HEADLO CN(C)C(=O)COc1ccc(C(F)(F)C(=O)Nc2nc3c(s2)C[N@H+](C)CC3)cc1 ZINC000769558637 1081124314 /nfs/dbraw/zinc/12/43/14/1081124314.db2.gz GNOZWNJMSYFLIX-UHFFFAOYSA-N 1 2 424.473 2.329 20 0 HEADLO CN(C)C(=O)COc1ccc(C(F)(F)C(=O)Nc2nc3c(s2)C[N@@H+](C)CC3)cc1 ZINC000769558637 1081124319 /nfs/dbraw/zinc/12/43/19/1081124319.db2.gz GNOZWNJMSYFLIX-UHFFFAOYSA-N 1 2 424.473 2.329 20 0 HEADLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)c1ccc2c(c1)CN(C(=O)OC(C)(C)C)C2 ZINC000769569072 1081128227 /nfs/dbraw/zinc/12/82/27/1081128227.db2.gz BMFXRGHHHWZBEH-INIZCTEOSA-N 1 2 402.539 2.303 20 0 HEADLO COCCN1CC[N@H+](C)C2(CCN(c3cnc4cccc(Cl)c4n3)CC2)C1=O ZINC001164635417 719271083 /nfs/dbraw/zinc/27/10/83/719271083.db2.gz QNMIZAMJNTWJGD-UHFFFAOYSA-N 1 2 403.914 2.043 20 0 HEADLO COCCN1CC[N@@H+](C)C2(CCN(c3cnc4cccc(Cl)c4n3)CC2)C1=O ZINC001164635417 719271088 /nfs/dbraw/zinc/27/10/88/719271088.db2.gz QNMIZAMJNTWJGD-UHFFFAOYSA-N 1 2 403.914 2.043 20 0 HEADLO COCCN1CC[N@H+](C)C2(CCN(c3nc(CC(C)C)nc(Cl)c3C)CC2)C1=O ZINC001164644483 719284277 /nfs/dbraw/zinc/28/42/77/719284277.db2.gz LMJGUPLERJHOIK-UHFFFAOYSA-N 1 2 423.989 2.396 20 0 HEADLO COCCN1CC[N@@H+](C)C2(CCN(c3nc(CC(C)C)nc(Cl)c3C)CC2)C1=O ZINC001164644483 719284281 /nfs/dbraw/zinc/28/42/81/719284281.db2.gz LMJGUPLERJHOIK-UHFFFAOYSA-N 1 2 423.989 2.396 20 0 HEADLO COC(=O)c1cncnc1N1CCC2(CC1)COCC[N@@H+]2Cc1ccc(F)cc1 ZINC001164670562 719510375 /nfs/dbraw/zinc/51/03/75/719510375.db2.gz DLXUTWUPTXWLHY-UHFFFAOYSA-N 1 2 400.454 2.274 20 0 HEADLO COC(=O)c1cncnc1N1CCC2(CC1)COCC[N@H+]2Cc1ccc(F)cc1 ZINC001164670562 719510386 /nfs/dbraw/zinc/51/03/86/719510386.db2.gz DLXUTWUPTXWLHY-UHFFFAOYSA-N 1 2 400.454 2.274 20 0 HEADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(Cl)cnc1SC ZINC001164708170 719866068 /nfs/dbraw/zinc/86/60/68/719866068.db2.gz XXLOYVPBUZUWHY-PXAZEXFGSA-N 1 2 400.932 2.085 20 0 HEADLO Cc1ccc2cc[nH+]c(N3CCc4c(C(=O)N5CCN(C)CC5)nn(C)c4C3)c2c1 ZINC001164708861 719906701 /nfs/dbraw/zinc/90/67/01/719906701.db2.gz KRPVYJRISHYPHL-UHFFFAOYSA-N 1 2 404.518 2.227 20 0 HEADLO Cc1c(Cl)cnc(Cl)c1N1CCc2c(C(=O)N3CC[NH+](C)CC3)nn(C)c2C1 ZINC001164708643 719919037 /nfs/dbraw/zinc/91/90/37/719919037.db2.gz OIEGAJQVCPASQX-UHFFFAOYSA-N 1 2 423.348 2.381 20 0 HEADLO CCc1cc2c(ccnc2N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)o1 ZINC001164708978 719937707 /nfs/dbraw/zinc/93/77/07/719937707.db2.gz VVIRQGJADGXFQT-UHFFFAOYSA-N 1 2 408.506 2.074 20 0 HEADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(C)(C)c1ccnc(Cl)c1)CC2 ZINC001164710676 720049061 /nfs/dbraw/zinc/04/90/61/720049061.db2.gz GARNBZSVDPPENV-UHFFFAOYSA-N 1 2 416.957 2.150 20 0 HEADLO Cc1noc([C@]23COC[C@@H]2CN(c2ncnc4c2C[N@H+](Cc2ccccc2)CC4)C3)n1 ZINC001164807578 720055269 /nfs/dbraw/zinc/05/52/69/720055269.db2.gz WBEBKVPPZOEVPH-FDDCHVKYSA-N 1 2 418.501 2.131 20 0 HEADLO Cc1noc([C@]23COC[C@@H]2CN(c2ncnc4c2C[N@@H+](Cc2ccccc2)CC4)C3)n1 ZINC001164807578 720055278 /nfs/dbraw/zinc/05/52/78/720055278.db2.gz WBEBKVPPZOEVPH-FDDCHVKYSA-N 1 2 418.501 2.131 20 0 HEADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)c3nc(Cl)ccc3C)C2)C1 ZINC001164720529 720266189 /nfs/dbraw/zinc/26/61/89/720266189.db2.gz XVUHYQKOPOUJQI-GOSISDBHSA-N 1 2 416.900 2.253 20 0 HEADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)c3nc(Cl)ccc3C)C2)C1 ZINC001164720529 720266203 /nfs/dbraw/zinc/26/62/03/720266203.db2.gz XVUHYQKOPOUJQI-GOSISDBHSA-N 1 2 416.900 2.253 20 0 HEADLO CCc1nc(Cl)c(N2CCC[C@@]3(C2)COCC[N@H+](CC(=O)NC)C3)c(Cl)n1 ZINC001164720710 720292225 /nfs/dbraw/zinc/29/22/25/720292225.db2.gz CHTUONGEOWJASD-GOSISDBHSA-N 1 2 416.353 2.011 20 0 HEADLO CCc1nc(Cl)c(N2CCC[C@@]3(C2)COCC[N@@H+](CC(=O)NC)C3)c(Cl)n1 ZINC001164720710 720292235 /nfs/dbraw/zinc/29/22/35/720292235.db2.gz CHTUONGEOWJASD-GOSISDBHSA-N 1 2 416.353 2.011 20 0 HEADLO COc1ccc(C)[nH+]c1N1CCC2(CC1)C(=O)N(Cc1csc(C)n1)CCN2C ZINC001164825632 720367539 /nfs/dbraw/zinc/36/75/39/720367539.db2.gz SCXOAWCAIPFLLP-UHFFFAOYSA-N 1 2 415.563 2.477 20 0 HEADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ncc5cccnc5n4)CC3)C2=O)cs1 ZINC001164819715 720371030 /nfs/dbraw/zinc/37/10/30/720371030.db2.gz GYUWRMKFIATBQH-UHFFFAOYSA-N 1 2 423.546 2.103 20 0 HEADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ncc5cccnc5n4)CC3)C2=O)cs1 ZINC001164819715 720371035 /nfs/dbraw/zinc/37/10/35/720371035.db2.gz GYUWRMKFIATBQH-UHFFFAOYSA-N 1 2 423.546 2.103 20 0 HEADLO CCc1cc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)ncn1 ZINC001164819722 720381070 /nfs/dbraw/zinc/38/10/70/720381070.db2.gz HEALYFJFDKOKEF-UHFFFAOYSA-N 1 2 400.552 2.117 20 0 HEADLO CCc1cc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)ncn1 ZINC001164819722 720381077 /nfs/dbraw/zinc/38/10/77/720381077.db2.gz HEALYFJFDKOKEF-UHFFFAOYSA-N 1 2 400.552 2.117 20 0 HEADLO CCOc1ccc(C(=O)OC)c(N2CCCn3c(C[N@H+](C)C(C)C)nnc3C2)n1 ZINC001165010237 721706317 /nfs/dbraw/zinc/70/63/17/721706317.db2.gz FVCWVUKYCVRWQL-UHFFFAOYSA-N 1 2 402.499 2.109 20 0 HEADLO CCOc1ccc(C(=O)OC)c(N2CCCn3c(C[N@@H+](C)C(C)C)nnc3C2)n1 ZINC001165010237 721706323 /nfs/dbraw/zinc/70/63/23/721706323.db2.gz FVCWVUKYCVRWQL-UHFFFAOYSA-N 1 2 402.499 2.109 20 0 HEADLO Cc1ccc2nc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)ncc2c1 ZINC001164915504 721784630 /nfs/dbraw/zinc/78/46/30/721784630.db2.gz KPJXQEXPQXBXET-HSZRJFAPSA-N 1 2 405.502 2.441 20 0 HEADLO Cc1ccc2nc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)ncc2c1 ZINC001164915504 721784635 /nfs/dbraw/zinc/78/46/35/721784635.db2.gz KPJXQEXPQXBXET-HSZRJFAPSA-N 1 2 405.502 2.441 20 0 HEADLO COc1ccc2nc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)ncc2c1 ZINC001164915993 721785313 /nfs/dbraw/zinc/78/53/13/721785313.db2.gz NBHXIOMPDSZEOR-QHCPKHFHSA-N 1 2 421.501 2.141 20 0 HEADLO COc1ccc2nc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)ncc2c1 ZINC001164915993 721785318 /nfs/dbraw/zinc/78/53/18/721785318.db2.gz NBHXIOMPDSZEOR-QHCPKHFHSA-N 1 2 421.501 2.141 20 0 HEADLO CSCc1ccc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nc1 ZINC001164915027 721797772 /nfs/dbraw/zinc/79/77/72/721797772.db2.gz UGFFIDQHBKXZIW-OAQYLSRUSA-N 1 2 400.548 2.447 20 0 HEADLO CSCc1ccc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nc1 ZINC001164915027 721797776 /nfs/dbraw/zinc/79/77/76/721797776.db2.gz UGFFIDQHBKXZIW-OAQYLSRUSA-N 1 2 400.548 2.447 20 0 HEADLO CCc1cc(Cl)nc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164915031 721799700 /nfs/dbraw/zinc/79/97/00/721799700.db2.gz UIGGLPQDSKLFCR-HXUWFJFHSA-N 1 2 403.914 2.195 20 0 HEADLO CCc1cc(Cl)nc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164915031 721799703 /nfs/dbraw/zinc/79/97/03/721799703.db2.gz UIGGLPQDSKLFCR-HXUWFJFHSA-N 1 2 403.914 2.195 20 0 HEADLO CCOC(=O)Cc1c(Cl)ncnc1N1CCC2(CC1)c1[nH+]cc(C)n1CCN2C ZINC001164918456 721815709 /nfs/dbraw/zinc/81/57/09/721815709.db2.gz YYWHVZDGIAIQRY-UHFFFAOYSA-N 1 2 418.929 2.182 20 0 HEADLO CCOC(=O)c1cnc(Cl)nc1C(F)(F)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001165035239 721901568 /nfs/dbraw/zinc/90/15/68/721901568.db2.gz ACRNXTLXPOPCFT-LBPRGKRZSA-N 1 2 404.845 2.153 20 0 HEADLO COC(=O)c1ccc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)nc1C ZINC001164944500 721973047 /nfs/dbraw/zinc/97/30/47/721973047.db2.gz JKGQEUWVFDNCIZ-UHFFFAOYSA-N 1 2 408.502 2.148 20 0 HEADLO COC(=O)c1ccc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)nc1C ZINC001164944500 721973051 /nfs/dbraw/zinc/97/30/51/721973051.db2.gz JKGQEUWVFDNCIZ-UHFFFAOYSA-N 1 2 408.502 2.148 20 0 HEADLO O=C(CCS(=O)(=O)NCC[N@@H+]1CCc2sccc2C1)OCc1ccccc1 ZINC000769757403 1078542329 /nfs/dbraw/zinc/54/23/29/1078542329.db2.gz IFYAPWHAVQQEEO-UHFFFAOYSA-N 1 2 408.545 2.159 20 0 HEADLO O=C(CCS(=O)(=O)NCC[N@H+]1CCc2sccc2C1)OCc1ccccc1 ZINC000769757403 1078542339 /nfs/dbraw/zinc/54/23/39/1078542339.db2.gz IFYAPWHAVQQEEO-UHFFFAOYSA-N 1 2 408.545 2.159 20 0 HEADLO CC(C)NS(=O)(=O)c1ccc(F)c(C(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000769765545 1078545036 /nfs/dbraw/zinc/54/50/36/1078545036.db2.gz UBPBQKZFCIACIR-CQSZACIVSA-N 1 2 408.499 2.266 20 0 HEADLO CCOC(=O)C1CCN(C(=O)C[NH+]2CCC(O)(c3ccccc3Cl)CC2)CC1 ZINC000769813161 1078573751 /nfs/dbraw/zinc/57/37/51/1078573751.db2.gz JQMZWDATLDQFOM-UHFFFAOYSA-N 1 2 408.926 2.425 20 0 HEADLO Cc1cccc(CNC(=O)C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H]2OC[C@@H]4CCC[C@@H]42)C3)c1 ZINC001109535996 1078593160 /nfs/dbraw/zinc/59/31/60/1078593160.db2.gz ROGLARAPJFDVOD-IKHCIZMXSA-N 1 2 411.546 2.148 20 0 HEADLO Cc1cccc(CNC(=O)C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H]2OC[C@@H]4CCC[C@@H]42)C3)c1 ZINC001109535996 1078593172 /nfs/dbraw/zinc/59/31/72/1078593172.db2.gz ROGLARAPJFDVOD-IKHCIZMXSA-N 1 2 411.546 2.148 20 0 HEADLO Cc1cc(N2CCN(C(=O)COC(=O)c3cc(F)ccc3O)CC2)nc(C(C)C)[nH+]1 ZINC000745731640 1078619157 /nfs/dbraw/zinc/61/91/57/1078619157.db2.gz JBQVDAGVKVSQEF-UHFFFAOYSA-N 1 2 416.453 2.259 20 0 HEADLO O=C(C[N@H+]1CCC[C@H]([C@H](O)C(F)(F)F)C1)Nc1ccc(N2CCOCC2)cc1 ZINC000769895887 1078619269 /nfs/dbraw/zinc/61/92/69/1078619269.db2.gz DKECVSJVGKSFLA-KSSFIOAISA-N 1 2 401.429 2.097 20 0 HEADLO O=C(C[N@@H+]1CCC[C@H]([C@H](O)C(F)(F)F)C1)Nc1ccc(N2CCOCC2)cc1 ZINC000769895887 1078619272 /nfs/dbraw/zinc/61/92/72/1078619272.db2.gz DKECVSJVGKSFLA-KSSFIOAISA-N 1 2 401.429 2.097 20 0 HEADLO C[C@H](NC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1)c1ccc(N2CCCC2=O)cc1 ZINC000745778945 1078638715 /nfs/dbraw/zinc/63/87/15/1078638715.db2.gz KEDXMRYBRHKDOT-FXAWDEMLSA-N 1 2 400.523 2.381 20 0 HEADLO CC[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N(C)Cc1ccc(C)o1 ZINC001109543675 1078639050 /nfs/dbraw/zinc/63/90/50/1078639050.db2.gz BHPXKHWTFYVMFX-LGKHCZOZSA-N 1 2 403.523 2.083 20 0 HEADLO CC[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N(C)Cc1ccc(C)o1 ZINC001109543675 1078639053 /nfs/dbraw/zinc/63/90/53/1078639053.db2.gz BHPXKHWTFYVMFX-LGKHCZOZSA-N 1 2 403.523 2.083 20 0 HEADLO C[C@H](NC(=O)N1CCC[C@H]1C[NH+]1CCOCC1)c1ccc(N2CCCC2=O)cc1 ZINC000745778947 1078639179 /nfs/dbraw/zinc/63/91/79/1078639179.db2.gz KEDXMRYBRHKDOT-PXNSSMCTSA-N 1 2 400.523 2.381 20 0 HEADLO COc1ccc(C[C@H](CO)CNC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cc1O ZINC000745783358 1078641433 /nfs/dbraw/zinc/64/14/33/1078641433.db2.gz PLVYPJVNUWEJGA-SFHVURJKSA-N 1 2 410.474 2.237 20 0 HEADLO CN(C)c1ccc([NH+]2CCC(NC(=O)NCC(=O)NC3CCCCC3)CC2)cc1 ZINC000745786936 1078644143 /nfs/dbraw/zinc/64/41/43/1078644143.db2.gz QNRVZSIENNVKNL-UHFFFAOYSA-N 1 2 401.555 2.470 20 0 HEADLO C[C@@H](CNC(=O)NCC[N@@H+]1CCO[C@H](C)C1)Oc1cccc(Br)c1 ZINC000745793475 1078650030 /nfs/dbraw/zinc/65/00/30/1078650030.db2.gz UWBXHDIPUVSKCA-UONOGXRCSA-N 1 2 400.317 2.236 20 0 HEADLO C[C@@H](CNC(=O)NCC[N@H+]1CCO[C@H](C)C1)Oc1cccc(Br)c1 ZINC000745793475 1078650034 /nfs/dbraw/zinc/65/00/34/1078650034.db2.gz UWBXHDIPUVSKCA-UONOGXRCSA-N 1 2 400.317 2.236 20 0 HEADLO Cn1ccnc1[C@H](O)[C@H]1CCCN(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000769980884 1078673340 /nfs/dbraw/zinc/67/33/40/1078673340.db2.gz VSVBXDQZUYALCA-QFBILLFUSA-N 1 2 412.469 2.400 20 0 HEADLO COC(=O)c1ccccc1N(C)C(=O)C[N@H+](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000745944080 1078708656 /nfs/dbraw/zinc/70/86/56/1078708656.db2.gz ODLYQNOFXPPSQW-OAHLLOKOSA-N 1 2 405.495 2.377 20 0 HEADLO COC(=O)c1ccccc1N(C)C(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000745944080 1078708661 /nfs/dbraw/zinc/70/86/61/1078708661.db2.gz ODLYQNOFXPPSQW-OAHLLOKOSA-N 1 2 405.495 2.377 20 0 HEADLO COCC[N@H+](CCC(=O)OC)CC(=O)Nc1c(F)cc(F)cc1Br ZINC000745983904 1078719289 /nfs/dbraw/zinc/71/92/89/1078719289.db2.gz CLIJKTONMWOKAA-UHFFFAOYSA-N 1 2 409.227 2.177 20 0 HEADLO COCC[N@@H+](CCC(=O)OC)CC(=O)Nc1c(F)cc(F)cc1Br ZINC000745983904 1078719293 /nfs/dbraw/zinc/71/92/93/1078719293.db2.gz CLIJKTONMWOKAA-UHFFFAOYSA-N 1 2 409.227 2.177 20 0 HEADLO CC(C)(C)OC(=O)N1CC(CC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000746014442 1078733877 /nfs/dbraw/zinc/73/38/77/1078733877.db2.gz FRNBWNCUXCRGHQ-LJQANCHMSA-N 1 2 403.523 2.261 20 0 HEADLO CC(C)(C)OC(=O)N1CC(CC(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000746014442 1078733886 /nfs/dbraw/zinc/73/38/86/1078733886.db2.gz FRNBWNCUXCRGHQ-LJQANCHMSA-N 1 2 403.523 2.261 20 0 HEADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)NC[C@H](O)c2ccc(F)cc2)CC1 ZINC000770127181 1078741047 /nfs/dbraw/zinc/74/10/47/1078741047.db2.gz BULFXCWFOGLBGV-IBGZPJMESA-N 1 2 400.454 2.068 20 0 HEADLO CCOC1CC(CNC(=O)Nc2ccccc2-c2noc(C)n2)([NH+]2CCOCC2)C1 ZINC000770218979 1078791951 /nfs/dbraw/zinc/79/19/51/1078791951.db2.gz SNDUNESJBSBNSH-UHFFFAOYSA-N 1 2 415.494 2.436 20 0 HEADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)CCS(=O)(=O)c1ccc(F)cc1 ZINC000770213451 1078789419 /nfs/dbraw/zinc/78/94/19/1078789419.db2.gz JJZRVIWUTNMJEP-UHFFFAOYSA-N 1 2 407.467 2.168 20 0 HEADLO C[C@H](c1ccco1)[N@H+](C)CC(=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1 ZINC000746124665 1078797956 /nfs/dbraw/zinc/79/79/56/1078797956.db2.gz QTFPBCJHWLNNOV-CQSZACIVSA-N 1 2 404.492 2.382 20 0 HEADLO C[C@H](c1ccco1)[N@@H+](C)CC(=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1 ZINC000746124665 1078797963 /nfs/dbraw/zinc/79/79/63/1078797963.db2.gz QTFPBCJHWLNNOV-CQSZACIVSA-N 1 2 404.492 2.382 20 0 HEADLO COCCNS(=O)(=O)c1c[nH]c(C(=O)Nc2cccc(-c3[nH]c(C)c(C)[nH+]3)c2)c1 ZINC000746157383 1078809084 /nfs/dbraw/zinc/80/90/84/1078809084.db2.gz LDYRPIQZAJYUCN-UHFFFAOYSA-N 1 2 417.491 2.199 20 0 HEADLO C[C@H](CNC(=O)C[C@@H](NC(=O)OC(C)(C)C)c1ccccc1)[NH+]1CCN(C)CC1 ZINC000746162094 1078813275 /nfs/dbraw/zinc/81/32/75/1078813275.db2.gz WKKXWFWRUMLJDR-IEBWSBKVSA-N 1 2 404.555 2.395 20 0 HEADLO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1CN1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000770328191 1078829865 /nfs/dbraw/zinc/82/98/65/1078829865.db2.gz VZVNJUQHVYXPLV-LXZKKBNFSA-N 1 2 411.959 2.484 20 0 HEADLO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@@H+]1Cc1cnc(N2CCN(C)CC2)nc1 ZINC000770383755 1078835018 /nfs/dbraw/zinc/83/50/18/1078835018.db2.gz WPZWJHSQQQRSEU-SJLPKXTDSA-N 1 2 404.559 2.106 20 0 HEADLO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@H+]1Cc1cnc(N2CCN(C)CC2)nc1 ZINC000770383755 1078835022 /nfs/dbraw/zinc/83/50/22/1078835022.db2.gz WPZWJHSQQQRSEU-SJLPKXTDSA-N 1 2 404.559 2.106 20 0 HEADLO COc1ccc(NC(=O)CN2CC[NH+]([C@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)cc1 ZINC000770356799 1078839800 /nfs/dbraw/zinc/83/98/00/1078839800.db2.gz ZIYVFDVWJNELPL-SFHVURJKSA-N 1 2 418.538 2.261 20 0 HEADLO CC(C)NS(=O)(=O)c1cc(C(=O)N2CCC([N@H+](C)CC(F)F)CC2)ccc1F ZINC000746324243 1078859153 /nfs/dbraw/zinc/85/91/53/1078859153.db2.gz NSAHBMFDZDKMCS-UHFFFAOYSA-N 1 2 421.485 2.314 20 0 HEADLO CC(C)NS(=O)(=O)c1cc(C(=O)N2CCC([N@@H+](C)CC(F)F)CC2)ccc1F ZINC000746324243 1078859154 /nfs/dbraw/zinc/85/91/54/1078859154.db2.gz NSAHBMFDZDKMCS-UHFFFAOYSA-N 1 2 421.485 2.314 20 0 HEADLO CC(C)(C)OC(=O)NC[C@H](NC(=O)NCC[N@@H+]1CCOCC1(C)C)C1CCCC1 ZINC000770511731 1078872083 /nfs/dbraw/zinc/87/20/83/1078872083.db2.gz FOZBURHCIGTXHF-KRWDZBQOSA-N 1 2 412.575 2.480 20 0 HEADLO CC(C)(C)OC(=O)NC[C@H](NC(=O)NCC[N@H+]1CCOCC1(C)C)C1CCCC1 ZINC000770511731 1078872084 /nfs/dbraw/zinc/87/20/84/1078872084.db2.gz FOZBURHCIGTXHF-KRWDZBQOSA-N 1 2 412.575 2.480 20 0 HEADLO COc1ccc(NC(C)=O)cc1S(=O)(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000053702690 1078878572 /nfs/dbraw/zinc/87/85/72/1078878572.db2.gz DUWYNSLZULSQPT-UHFFFAOYSA-N 1 2 417.531 2.203 20 0 HEADLO Cn1cc(C[C@@H]2CC(=O)N(C[N@H+](C)CCCOc3ccc(Cl)cc3)C2=O)cn1 ZINC000746373523 1078881502 /nfs/dbraw/zinc/88/15/02/1078881502.db2.gz UPLIAICCBSJYEQ-MRXNPFEDSA-N 1 2 404.898 2.350 20 0 HEADLO Cn1cc(C[C@@H]2CC(=O)N(C[N@@H+](C)CCCOc3ccc(Cl)cc3)C2=O)cn1 ZINC000746373523 1078881504 /nfs/dbraw/zinc/88/15/04/1078881504.db2.gz UPLIAICCBSJYEQ-MRXNPFEDSA-N 1 2 404.898 2.350 20 0 HEADLO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2CN2C(=O)C[C@H](Cc3cnn(C)c3)C2=O)c1 ZINC000746374370 1078881867 /nfs/dbraw/zinc/88/18/67/1078881867.db2.gz NXLLJNADTYETLL-LPHOPBHVSA-N 1 2 412.490 2.150 20 0 HEADLO COc1ccc(OC)c([C@@H]2CCC[N@H+]2CN2C(=O)C[C@H](Cc3cnn(C)c3)C2=O)c1 ZINC000746374370 1078881871 /nfs/dbraw/zinc/88/18/71/1078881871.db2.gz NXLLJNADTYETLL-LPHOPBHVSA-N 1 2 412.490 2.150 20 0 HEADLO COC(=O)CN(CC[NH+]1CCOCC1)Cn1ccn(-c2ccc(C)c(C)c2)c1=S ZINC000746381054 1078884986 /nfs/dbraw/zinc/88/49/86/1078884986.db2.gz VNAPYJAIAHQXGL-UHFFFAOYSA-N 1 2 418.563 2.390 20 0 HEADLO COC(=O)CN(CC[NH+]1CCOCC1)Cn1c2ccccc2nc1SC(F)F ZINC000746380453 1078885947 /nfs/dbraw/zinc/88/59/47/1078885947.db2.gz OZOJTIIJCLILSK-UHFFFAOYSA-N 1 2 414.478 2.116 20 0 HEADLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)C(=O)Nc3ccnn3CC3CC3)CC2)c1 ZINC000746394516 1078894055 /nfs/dbraw/zinc/89/40/55/1078894055.db2.gz FFOYOJPOSQJVJK-MRXNPFEDSA-N 1 2 411.506 2.146 20 0 HEADLO CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)[C@H](C)[N@@H+]1C[C@H](O)C[C@H]1CO ZINC000770667461 1078925582 /nfs/dbraw/zinc/92/55/82/1078925582.db2.gz FEHKMTLIQBDORA-CWRNSKLLSA-N 1 2 418.515 2.346 20 0 HEADLO CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)[C@H](C)[N@H+]1C[C@H](O)C[C@H]1CO ZINC000770667461 1078925585 /nfs/dbraw/zinc/92/55/85/1078925585.db2.gz FEHKMTLIQBDORA-CWRNSKLLSA-N 1 2 418.515 2.346 20 0 HEADLO COc1cc(C)c(C[NH+]2CCN(C(=O)COc3ccc(F)nc3)CC2)cc1OC ZINC000766370415 1078937055 /nfs/dbraw/zinc/93/70/55/1078937055.db2.gz IJDKKVUMPMOOQG-UHFFFAOYSA-N 1 2 403.454 2.270 20 0 HEADLO COC(=O)NCC(=O)N1CC[NH+](CCOC(c2ccccc2)c2ccccc2)CC1 ZINC000766373512 1078940550 /nfs/dbraw/zinc/94/05/50/1078940550.db2.gz CZGGGDLDIPHZIQ-UHFFFAOYSA-N 1 2 411.502 2.293 20 0 HEADLO CC(C)OC[C@H]1C[N@H+](CCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)CCO1 ZINC000770713545 1078944003 /nfs/dbraw/zinc/94/40/03/1078944003.db2.gz YSJRXYHZKSQXRV-CQSZACIVSA-N 1 2 409.552 2.180 20 0 HEADLO CC(C)OC[C@H]1C[N@@H+](CCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)CCO1 ZINC000770713545 1078944014 /nfs/dbraw/zinc/94/40/14/1078944014.db2.gz YSJRXYHZKSQXRV-CQSZACIVSA-N 1 2 409.552 2.180 20 0 HEADLO O=C(CS[C@H]1CCS(=O)(=O)C1)NC[C@@H]([NH2+]Cc1ccccc1)c1ccco1 ZINC000804272040 1078946939 /nfs/dbraw/zinc/94/69/39/1078946939.db2.gz ZYTASINVWXYZSL-DLBZAZTESA-N 1 2 408.545 2.147 20 0 HEADLO COc1cccc(OCC[NH+]2CCN(C(=O)CCOc3ccc(C=O)cc3)CC2)c1 ZINC000766409162 1078957143 /nfs/dbraw/zinc/95/71/43/1078957143.db2.gz RFCDCCGTSOUVSE-UHFFFAOYSA-N 1 2 412.486 2.500 20 0 HEADLO CCn1c(=O)c2ccc(C(=O)N3CCN(c4cc(C)cc[nH+]4)CC3)cc2[nH]c1=S ZINC000766496759 1079038572 /nfs/dbraw/zinc/03/85/72/1079038572.db2.gz YZYFAHIIINGUMN-UHFFFAOYSA-N 1 2 409.515 2.371 20 0 HEADLO CN(C)S(=O)(=O)c1cccc(S(=O)(=O)N(CC(F)(F)F)c2cc[nH+]cc2)c1 ZINC000543691811 1079044874 /nfs/dbraw/zinc/04/48/74/1079044874.db2.gz YGVGVQWZNGYGQR-UHFFFAOYSA-N 1 2 423.438 2.090 20 0 HEADLO C[C@@H]1C[C@@H]([N@@H+]2CCc3onc(CN4CCOCC4)c3C2)CN1C(=O)OC(C)(C)C ZINC001168852457 1079052701 /nfs/dbraw/zinc/05/27/01/1079052701.db2.gz CNYOUQHKMUREMG-HZPDHXFCSA-N 1 2 406.527 2.263 20 0 HEADLO C[C@@H]1C[C@@H]([N@H+]2CCc3onc(CN4CCOCC4)c3C2)CN1C(=O)OC(C)(C)C ZINC001168852457 1079052708 /nfs/dbraw/zinc/05/27/08/1079052708.db2.gz CNYOUQHKMUREMG-HZPDHXFCSA-N 1 2 406.527 2.263 20 0 HEADLO CCOC(=O)[C@H]([NH2+][C@H]1CCN(Cc2ccc(OC)cc2)C(=O)C1)C1CCOCC1 ZINC001168906118 1079071676 /nfs/dbraw/zinc/07/16/76/1079071676.db2.gz UYSNNPNIGCKODI-GHTZIAJQSA-N 1 2 404.507 2.134 20 0 HEADLO COc1ccc(C[NH+]2CCN(C(=O)CN(C)CC(F)(F)C(F)(F)F)CC2)cc1 ZINC001168910957 1079073590 /nfs/dbraw/zinc/07/35/90/1079073590.db2.gz LWBIJGITQFSELT-UHFFFAOYSA-N 1 2 409.399 2.469 20 0 HEADLO O=C(OCc1cccc2[nH+]ccn21)c1sccc1S(=O)(=O)N1CCSCC1 ZINC000770924466 1079082151 /nfs/dbraw/zinc/08/21/51/1079082151.db2.gz IARVBPAJRCJSOU-UHFFFAOYSA-N 1 2 423.541 2.490 20 0 HEADLO COc1ccc(CN2CC[C@@H]([N@@H+]3CCn4c(Br)nnc4C3)CC2=O)cc1 ZINC001168943827 1079082174 /nfs/dbraw/zinc/08/21/74/1079082174.db2.gz CTJVUEYZYRMWAD-CQSZACIVSA-N 1 2 420.311 2.056 20 0 HEADLO COc1ccc(CN2CC[C@@H]([N@H+]3CCn4c(Br)nnc4C3)CC2=O)cc1 ZINC001168943827 1079082177 /nfs/dbraw/zinc/08/21/77/1079082177.db2.gz CTJVUEYZYRMWAD-CQSZACIVSA-N 1 2 420.311 2.056 20 0 HEADLO COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)OCc2cccc3[nH+]ccn32)c1 ZINC000770924920 1079083115 /nfs/dbraw/zinc/08/31/15/1079083115.db2.gz KLKRSDJLJHROMP-UHFFFAOYSA-N 1 2 423.878 2.269 20 0 HEADLO O=C(N1CCO[C@@H](C[NH+]2CCOCC2)C1)C1(c2cc(F)cc(C(F)(F)F)c2)CC1 ZINC001169002764 1079096837 /nfs/dbraw/zinc/09/68/37/1079096837.db2.gz PCNBCXGFNDHLLD-KRWDZBQOSA-N 1 2 416.415 2.436 20 0 HEADLO CCOC(=O)[C@H](Nc1cc(C)cn2cc[nH+]c12)[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC001169043591 1079109721 /nfs/dbraw/zinc/10/97/21/1079109721.db2.gz IXWNUHIQOMSEBH-MSOLQXFVSA-N 1 2 417.487 2.123 20 0 HEADLO CCOC(=O)N1[C@H](C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)CC[C@H]1c1ccc(C)o1 ZINC000771031858 1079110455 /nfs/dbraw/zinc/11/04/55/1079110455.db2.gz HZCUYSPFPOSGMV-SQNIBIBYSA-N 1 2 405.495 2.183 20 0 HEADLO COC(=O)[C@@H]1C[C@@H](Nc2ncc(C(=O)OCc3ccccc3)c(C(F)(F)F)n2)C[NH2+]1 ZINC001169123501 1079144756 /nfs/dbraw/zinc/14/47/56/1079144756.db2.gz IZNBWYVXHYUYAE-OCCSQVGLSA-N 1 2 424.379 2.168 20 0 HEADLO O=C(NCCn1c[nH+]cc1-c1ccccc1)c1ccc(C(=O)N2CCOCC2)cc1 ZINC001169166661 1079174646 /nfs/dbraw/zinc/17/46/46/1079174646.db2.gz BNKSDHFANCMATE-UHFFFAOYSA-N 1 2 404.470 2.453 20 0 HEADLO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@@H+]1Cc2cnc(Cl)cc2C1 ZINC001169222170 1079201106 /nfs/dbraw/zinc/20/11/06/1079201106.db2.gz YLAXAQOXCJFLBQ-CYBMUJFWSA-N 1 2 416.913 2.057 20 0 HEADLO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@H+]1Cc2cnc(Cl)cc2C1 ZINC001169222170 1079201119 /nfs/dbraw/zinc/20/11/19/1079201119.db2.gz YLAXAQOXCJFLBQ-CYBMUJFWSA-N 1 2 416.913 2.057 20 0 HEADLO C[C@@H]1CN(C(=O)C[N@@H+]2CCCN(c3nnc(C(F)(F)F)s3)CC2)CC(C)(C)O1 ZINC001169224211 1079202017 /nfs/dbraw/zinc/20/20/17/1079202017.db2.gz FGRYQNPLISTSCG-GFCCVEGCSA-N 1 2 421.489 2.095 20 0 HEADLO C[C@@H]1CN(C(=O)C[N@H+]2CCCN(c3nnc(C(F)(F)F)s3)CC2)CC(C)(C)O1 ZINC001169224211 1079202020 /nfs/dbraw/zinc/20/20/20/1079202020.db2.gz FGRYQNPLISTSCG-GFCCVEGCSA-N 1 2 421.489 2.095 20 0 HEADLO CCOC(=O)c1ccc(NCC[NH+]2CCN(S(C)(=O)=O)CC2)c2ccccc12 ZINC001169345495 1079233215 /nfs/dbraw/zinc/23/32/15/1079233215.db2.gz YEFZVNBQIIJVHQ-UHFFFAOYSA-N 1 2 405.520 2.006 20 0 HEADLO CS(=O)(=O)N1CC[NH+](CCNc2cccc3ncc(C(F)(F)F)cc32)CC1 ZINC001169344610 1079240959 /nfs/dbraw/zinc/24/09/59/1079240959.db2.gz GQLSZFQPWVTQJI-UHFFFAOYSA-N 1 2 402.442 2.243 20 0 HEADLO COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)Nc2cccc(-n3cc[nH+]c3)c2)C1=O ZINC000771298547 1079271910 /nfs/dbraw/zinc/27/19/10/1079271910.db2.gz LFQQMNBDRWFOMH-QFIPXVFZSA-N 1 2 419.441 2.287 20 0 HEADLO CCOC(=O)[C@@H]1CC[C@H]([N@@H+]2CCc3ncn(C)c3[C@H]2COCc2cccnc2)CO1 ZINC001169399711 1079273427 /nfs/dbraw/zinc/27/34/27/1079273427.db2.gz WJYRYYHEZPJINQ-SXLOBPIMSA-N 1 2 414.506 2.042 20 0 HEADLO CCOC(=O)[C@@H]1CC[C@H]([N@H+]2CCc3ncn(C)c3[C@H]2COCc2cccnc2)CO1 ZINC001169399711 1079273433 /nfs/dbraw/zinc/27/34/33/1079273433.db2.gz WJYRYYHEZPJINQ-SXLOBPIMSA-N 1 2 414.506 2.042 20 0 HEADLO COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)Nc2ccc3[nH+]c(C)cn3c2)C1=O ZINC000771320512 1079285641 /nfs/dbraw/zinc/28/56/41/1079285641.db2.gz ZGGHGCXLXHJVGL-QFIPXVFZSA-N 1 2 421.457 2.365 20 0 HEADLO CCOC(=O)N1CC[C@@H](NC(=O)N2CC[NH+]([C@H](C)c3cccc(OC)c3)CC2)C1 ZINC000771379228 1079292983 /nfs/dbraw/zinc/29/29/83/1079292983.db2.gz JFSTVNCPECRXQT-SJLPKXTDSA-N 1 2 404.511 2.314 20 0 HEADLO CCOC(=O)N1CC[C@H](NC(=O)N[C@H](c2ccc(Cl)cc2)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000771343954 1079298860 /nfs/dbraw/zinc/29/88/60/1079298860.db2.gz JPOKFRUQNHWUEV-OKZBNKHCSA-N 1 2 424.929 2.242 20 0 HEADLO CCOC(=O)N1CC[C@H](NC(=O)N[C@H](c2ccc(Cl)cc2)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000771343954 1079298867 /nfs/dbraw/zinc/29/88/67/1079298867.db2.gz JPOKFRUQNHWUEV-OKZBNKHCSA-N 1 2 424.929 2.242 20 0 HEADLO COC(=O)Cc1c(C(=O)OC)sc2[nH]c(C[N@@H+]3CCCCC[C@@H]3C)nc(=O)c12 ZINC001169461082 1079306662 /nfs/dbraw/zinc/30/66/62/1079306662.db2.gz BZOWWTRCAXKWPV-NSHDSACASA-N 1 2 407.492 2.251 20 0 HEADLO COC(=O)Cc1c(C(=O)OC)sc2[nH]c(C[N@H+]3CCCCC[C@@H]3C)nc(=O)c12 ZINC001169461082 1079306667 /nfs/dbraw/zinc/30/66/67/1079306667.db2.gz BZOWWTRCAXKWPV-NSHDSACASA-N 1 2 407.492 2.251 20 0 HEADLO CCOC(=O)N1CC[C@@H](NC(=O)N(Cc2ccccc2)[C@H](C)C[NH+]2CCOCC2)C1 ZINC000771392982 1079319251 /nfs/dbraw/zinc/31/92/51/1079319251.db2.gz OAJFWKRNIYKUII-UYAOXDASSA-N 1 2 418.538 2.150 20 0 HEADLO Cc1cnc(S(C)(=O)=O)nc1N[C@H]1C[C@H](C(=O)OCc2ccccc2)CCC[NH2+]1 ZINC001169518426 1079328678 /nfs/dbraw/zinc/32/86/78/1079328678.db2.gz ZBVJKUNFJSSTEM-SJORKVTESA-N 1 2 418.519 2.060 20 0 HEADLO Cc1nc(S(C)(=O)=O)ncc1N[C@H]1C[C@H](C(=O)OCc2ccccc2)CCC[NH2+]1 ZINC001169518023 1079328695 /nfs/dbraw/zinc/32/86/95/1079328695.db2.gz GPIDOOGATOAPJB-AEFFLSMTSA-N 1 2 418.519 2.060 20 0 HEADLO Cc1nc(S(C)(=O)=O)ncc1N[C@@H]1C[C@H](C(=O)OCc2ccccc2)CCC[NH2+]1 ZINC001169518025 1079328784 /nfs/dbraw/zinc/32/87/84/1079328784.db2.gz GPIDOOGATOAPJB-SJLPKXTDSA-N 1 2 418.519 2.060 20 0 HEADLO NC(=O)COc1ccc(Cl)cc1S(=O)(=O)Oc1ccc(-n2cc[nH+]c2)cc1 ZINC000766753721 1079331243 /nfs/dbraw/zinc/33/12/43/1079331243.db2.gz HANNASAJTWOZBD-UHFFFAOYSA-N 1 2 407.835 2.158 20 0 HEADLO C[C@@H](C(=O)Nc1sccc1C(N)=O)[NH+]1CCC2(C[C@H]2C(=O)N2CCCCC2)CC1 ZINC000771466708 1079362629 /nfs/dbraw/zinc/36/26/29/1079362629.db2.gz HHAUYKTUEWCRDO-HOCLYGCPSA-N 1 2 418.563 2.289 20 0 HEADLO CCOC(=O)N1CCC[C@H]([NH2+][C@@H](CCCNC(=O)OC(C)(C)C)C(=O)OC)CC1 ZINC001169672377 1079377751 /nfs/dbraw/zinc/37/77/51/1079377751.db2.gz OOQFWGZQTUKFEJ-HOTGVXAUSA-N 1 2 415.531 2.434 20 0 HEADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)c2ccnc(OC3CCCCC3)c2)CC1 ZINC000771665345 1079433560 /nfs/dbraw/zinc/43/35/60/1079433560.db2.gz ZPAMJXJSOVZBSB-UHFFFAOYSA-N 1 2 409.552 2.032 20 0 HEADLO CCC[C@H]1CN(S(=O)(=O)c2c(Cl)nc3sccn32)CC[N@@H+]1CCOC ZINC000766851919 1079438605 /nfs/dbraw/zinc/43/86/05/1079438605.db2.gz WWNDUSKHDGUMFR-LBPRGKRZSA-N 1 2 406.961 2.171 20 0 HEADLO CCC[C@H]1CN(S(=O)(=O)c2c(Cl)nc3sccn32)CC[N@H+]1CCOC ZINC000766851919 1079438616 /nfs/dbraw/zinc/43/86/16/1079438616.db2.gz WWNDUSKHDGUMFR-LBPRGKRZSA-N 1 2 406.961 2.171 20 0 HEADLO COC(=O)C(C)(C)[C@@H]1CCC[N@H+](CN2C(=O)N[C@]3(CC(C)(C)OC3(C)C)C2=O)C1 ZINC000771632082 1079440247 /nfs/dbraw/zinc/44/02/47/1079440247.db2.gz PIYKVBSAOOWIQG-SPLOXXLWSA-N 1 2 409.527 2.123 20 0 HEADLO COC(=O)C(C)(C)[C@@H]1CCC[N@@H+](CN2C(=O)N[C@]3(CC(C)(C)OC3(C)C)C2=O)C1 ZINC000771632082 1079440251 /nfs/dbraw/zinc/44/02/51/1079440251.db2.gz PIYKVBSAOOWIQG-SPLOXXLWSA-N 1 2 409.527 2.123 20 0 HEADLO COC(=O)c1cc(S(=O)(=O)N2CC[N@H+](C)CC2(C)C)c(Br)cc1F ZINC000766856234 1079442603 /nfs/dbraw/zinc/44/26/03/1079442603.db2.gz JGTHVNDTWGHXRX-UHFFFAOYSA-N 1 2 423.304 2.090 20 0 HEADLO COC(=O)c1cc(S(=O)(=O)N2CC[N@@H+](C)CC2(C)C)c(Br)cc1F ZINC000766856234 1079442606 /nfs/dbraw/zinc/44/26/06/1079442606.db2.gz JGTHVNDTWGHXRX-UHFFFAOYSA-N 1 2 423.304 2.090 20 0 HEADLO CS(=O)(=O)C1CCC([N@@H+]2CCO[C@H]3[C@H]2CC[C@H]3COCc2cccnc2)CC1 ZINC001169885688 1079459076 /nfs/dbraw/zinc/45/90/76/1079459076.db2.gz SYVYNNQJAGRCLQ-BEQLGVGBSA-N 1 2 408.564 2.433 20 0 HEADLO CS(=O)(=O)C1CCC([N@H+]2CCO[C@H]3[C@H]2CC[C@H]3COCc2cccnc2)CC1 ZINC001169885688 1079459083 /nfs/dbraw/zinc/45/90/83/1079459083.db2.gz SYVYNNQJAGRCLQ-BEQLGVGBSA-N 1 2 408.564 2.433 20 0 HEADLO CC(C)(C)OC(=O)N1CCC2(CC1)C[N@@H+](C1CCC(S(C)(=O)=O)CC1)CCO2 ZINC001169876831 1079466723 /nfs/dbraw/zinc/46/67/23/1079466723.db2.gz SRPSHLMVTNYBIQ-UHFFFAOYSA-N 1 2 416.584 2.444 20 0 HEADLO CC(C)(C)OC(=O)N1CCC2(CC1)C[N@H+](C1CCC(S(C)(=O)=O)CC1)CCO2 ZINC001169876831 1079466727 /nfs/dbraw/zinc/46/67/27/1079466727.db2.gz SRPSHLMVTNYBIQ-UHFFFAOYSA-N 1 2 416.584 2.444 20 0 HEADLO COC(=O)C1CCN(c2cc(NCCOc3ccc4c(c3)OCO4)[nH+]cn2)CC1 ZINC001169929536 1079478978 /nfs/dbraw/zinc/47/89/78/1079478978.db2.gz CAAMDQATPWUZLG-UHFFFAOYSA-N 1 2 400.435 2.086 20 0 HEADLO COC(=O)C1CCN(c2cc(NCCOc3ccc4c(c3)OCO4)nc[nH+]2)CC1 ZINC001169929536 1079478980 /nfs/dbraw/zinc/47/89/80/1079478980.db2.gz CAAMDQATPWUZLG-UHFFFAOYSA-N 1 2 400.435 2.086 20 0 HEADLO CC[C@]1(C(C)C)NC(=O)N(C[N@@H+]2CCC[C@H](C(=O)Nc3cccc(C)n3)C2)C1=O ZINC000738026930 1075953194 /nfs/dbraw/zinc/95/31/94/1075953194.db2.gz AXKDJYUDGUXRHD-HRAATJIYSA-N 1 2 401.511 2.355 20 0 HEADLO CC[C@]1(C(C)C)NC(=O)N(C[N@H+]2CCC[C@H](C(=O)Nc3cccc(C)n3)C2)C1=O ZINC000738026930 1075953205 /nfs/dbraw/zinc/95/32/05/1075953205.db2.gz AXKDJYUDGUXRHD-HRAATJIYSA-N 1 2 401.511 2.355 20 0 HEADLO CC[C@@]1(C(C)C)NC(=O)N(C[NH+]2CCC(NC(=O)c3cc(C)oc3C)CC2)C1=O ZINC000738041644 1075955740 /nfs/dbraw/zinc/95/57/40/1075955740.db2.gz OWLSTQDAPPYWTD-NRFANRHFSA-N 1 2 404.511 2.405 20 0 HEADLO CN(C[C@H]1CCC[N@H+](CN2C(=O)C[C@@]3(CCSC3)C2=O)C1)C(=O)OC(C)(C)C ZINC000738086831 1075959441 /nfs/dbraw/zinc/95/94/41/1075959441.db2.gz OTNRYNVMGCAPAV-FOIQADDNSA-N 1 2 411.568 2.405 20 0 HEADLO CN(C[C@H]1CCC[N@@H+](CN2C(=O)C[C@@]3(CCSC3)C2=O)C1)C(=O)OC(C)(C)C ZINC000738086831 1075959446 /nfs/dbraw/zinc/95/94/46/1075959446.db2.gz OTNRYNVMGCAPAV-FOIQADDNSA-N 1 2 411.568 2.405 20 0 HEADLO O=C1C(=O)N(C23CC4CC(CC(C4)C2)C3)C(=O)N1CN1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000738157130 1075970255 /nfs/dbraw/zinc/97/02/55/1075970255.db2.gz HBKMNFYZYOUBJW-DQYWGJDHSA-N 1 2 411.506 2.237 20 0 HEADLO CCc1ccc(CN2CC[NH+](CCCN3C(=O)CS/C3=C\C(=O)OC)CC2)s1 ZINC000738332863 1075983594 /nfs/dbraw/zinc/98/35/94/1075983594.db2.gz QLYTXENRRKSLBI-UYRXBGFRSA-N 1 2 423.604 2.408 20 0 HEADLO O=S(=O)(NC1CC1)c1cccc(S(=O)(=O)Oc2cccc(-n3cc[nH+]c3)c2)c1 ZINC000738391944 1075993357 /nfs/dbraw/zinc/99/33/57/1075993357.db2.gz RDCAGZQULBZYJI-UHFFFAOYSA-N 1 2 419.484 2.081 20 0 HEADLO O=C(CN1C(=O)COc2ccc(Cl)cc21)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000738526321 1075999862 /nfs/dbraw/zinc/99/98/62/1075999862.db2.gz HAUMTCLLANEHRQ-UHFFFAOYSA-N 1 2 415.877 2.115 20 0 HEADLO CC[C@H](NC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)c1ccc(F)cc1F ZINC000738472828 1076004118 /nfs/dbraw/zinc/00/41/18/1076004118.db2.gz SPBLRSWUCVOFQR-KRWDZBQOSA-N 1 2 403.495 2.224 20 0 HEADLO COC(=O)C1=NOC2(C1)CC[NH+](CC(=O)Nc1nc3c(cccc3OC)s1)CC2 ZINC000771781366 1079503089 /nfs/dbraw/zinc/50/30/89/1079503089.db2.gz XZGKPAOOVGFCDR-UHFFFAOYSA-N 1 2 418.475 2.027 20 0 HEADLO C[C@@H]1COCCN1c1ccc(NC(=O)C(=O)NCc2ccccc2-n2cc[nH+]c2)cc1 ZINC000739078430 1076038339 /nfs/dbraw/zinc/03/83/39/1076038339.db2.gz CHDXMUOVRREHSH-QGZVFWFLSA-N 1 2 419.485 2.352 20 0 HEADLO O=C(CNC(=O)c1ccccn1)N1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000739690781 1076072390 /nfs/dbraw/zinc/07/23/90/1076072390.db2.gz QOVOYTPKNLNNJO-UHFFFAOYSA-N 1 2 422.407 2.054 20 0 HEADLO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000739705737 1076074271 /nfs/dbraw/zinc/07/42/71/1076074271.db2.gz LSZYTGNLRUFQKC-YRNRMSPPSA-N 1 2 413.584 2.004 20 0 HEADLO C[C@](O)(CNC(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1)c1cccs1 ZINC000740040232 1076098387 /nfs/dbraw/zinc/09/83/87/1076098387.db2.gz ZUYNLUHOVVWWGX-NRFANRHFSA-N 1 2 419.547 2.166 20 0 HEADLO Cc1cccn2cc(CC(=O)NC[C@@H](O)c3cc(Cl)c4c(c3)OCCO4)[nH+]c12 ZINC000740149470 1076107101 /nfs/dbraw/zinc/10/71/01/1076107101.db2.gz PKWJDPNGZOELEN-MRXNPFEDSA-N 1 2 401.850 2.460 20 0 HEADLO CCOC(=O)C1C(C[NH2+][C@]2(CO)CCc3ccccc32)=NC(=O)N[C@@H]1c1ccccc1 ZINC000766249139 1076149073 /nfs/dbraw/zinc/14/90/73/1076149073.db2.gz HQIJFZAGAGNSMN-QPPBQGQZSA-N 1 2 421.497 2.281 20 0 HEADLO COC(=O)c1cc(S(=O)(=O)Nc2ccc(-n3cc[nH+]c3C)nc2)ccc1OC ZINC000740604814 1076212846 /nfs/dbraw/zinc/21/28/46/1076212846.db2.gz LIIKFWBAHZJMTR-UHFFFAOYSA-N 1 2 402.432 2.172 20 0 HEADLO COc1c(C)c[nH+]c(CNC(=O)CC[S@@](=O)c2ccc3c(c2)OCCO3)c1C ZINC000740742425 1076230040 /nfs/dbraw/zinc/23/00/40/1076230040.db2.gz IBPSEABMYKXDIU-MUUNZHRXSA-N 1 2 404.488 2.292 20 0 HEADLO C[C@@H]1C[N@H+](CN2C(=O)NC(C3CC3)(C3CC3)C2=O)CC[C@H]1NC(=O)OC(C)(C)C ZINC000740856863 1076269725 /nfs/dbraw/zinc/26/97/25/1076269725.db2.gz WJXDZOJLMQYHAP-CZUORRHYSA-N 1 2 406.527 2.290 20 0 HEADLO C[C@@H]1C[N@@H+](CN2C(=O)NC(C3CC3)(C3CC3)C2=O)CC[C@H]1NC(=O)OC(C)(C)C ZINC000740856863 1076269733 /nfs/dbraw/zinc/26/97/33/1076269733.db2.gz WJXDZOJLMQYHAP-CZUORRHYSA-N 1 2 406.527 2.290 20 0 HEADLO C[C@H]1C[N@H+](CN2C(=O)C(=O)N(C3CCCCC3)C2=O)CC[C@H]1NC(=O)OC(C)(C)C ZINC000740857178 1076269824 /nfs/dbraw/zinc/26/98/24/1076269824.db2.gz YPZYUHLVXYYNMU-GOEBONIOSA-N 1 2 422.526 2.303 20 0 HEADLO C[C@H]1C[N@@H+](CN2C(=O)C(=O)N(C3CCCCC3)C2=O)CC[C@H]1NC(=O)OC(C)(C)C ZINC000740857178 1076269830 /nfs/dbraw/zinc/26/98/30/1076269830.db2.gz YPZYUHLVXYYNMU-GOEBONIOSA-N 1 2 422.526 2.303 20 0 HEADLO C[C@H]1C[N@H+](CC(=O)N2CC(=O)Nc3ccccc32)CC[C@H]1NC(=O)OC(C)(C)C ZINC000740880059 1076280605 /nfs/dbraw/zinc/28/06/05/1076280605.db2.gz SCGWUIYYIBJSCK-LSDHHAIUSA-N 1 2 402.495 2.207 20 0 HEADLO C[C@H]1C[N@@H+](CC(=O)N2CC(=O)Nc3ccccc32)CC[C@H]1NC(=O)OC(C)(C)C ZINC000740880059 1076280610 /nfs/dbraw/zinc/28/06/10/1076280610.db2.gz SCGWUIYYIBJSCK-LSDHHAIUSA-N 1 2 402.495 2.207 20 0 HEADLO CCC[C@H]1C(=O)NCC[N@H+]1C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000766263012 1076325494 /nfs/dbraw/zinc/32/54/94/1076325494.db2.gz BKWHVYSOEZMLTR-FHWLQOOXSA-N 1 2 405.539 2.084 20 0 HEADLO CCC[C@H]1C(=O)NCC[N@@H+]1C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000766263012 1076325504 /nfs/dbraw/zinc/32/55/04/1076325504.db2.gz BKWHVYSOEZMLTR-FHWLQOOXSA-N 1 2 405.539 2.084 20 0 HEADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)Nc1ccccc1C(=O)N1CCCC1 ZINC000741057568 1076346830 /nfs/dbraw/zinc/34/68/30/1076346830.db2.gz ATGQLOIXSWBRGK-UHFFFAOYSA-N 1 2 412.494 2.095 20 0 HEADLO C[C@](O)(CNC(=O)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1)c1ccsc1 ZINC000741086835 1076349727 /nfs/dbraw/zinc/34/97/27/1076349727.db2.gz QRNYNKSJSCKQME-FPOVZHCZSA-N 1 2 403.548 2.198 20 0 HEADLO O=C(NC[C@H](O)c1c(F)cccc1F)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000741087346 1076350074 /nfs/dbraw/zinc/35/00/74/1076350074.db2.gz WHFMQFQCOSJLRL-PXNSSMCTSA-N 1 2 419.472 2.241 20 0 HEADLO C[C@H](c1cccc(NC(=O)C(=O)NC[C@](C)(O)c2ccsc2)c1)[NH+]1CCOCC1 ZINC000741106977 1076360376 /nfs/dbraw/zinc/36/03/76/1076360376.db2.gz CNKSVCOQJQCUKW-VFNWGFHPSA-N 1 2 417.531 2.104 20 0 HEADLO CC[N@@H+]1CCCC[C@@H]1C(=O)OCC(=O)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000741146772 1076392654 /nfs/dbraw/zinc/39/26/54/1076392654.db2.gz CCAGBEOQKLIRQH-LJQANCHMSA-N 1 2 401.507 2.281 20 0 HEADLO CC[N@H+]1CCCC[C@@H]1C(=O)OCC(=O)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000741146772 1076392658 /nfs/dbraw/zinc/39/26/58/1076392658.db2.gz CCAGBEOQKLIRQH-LJQANCHMSA-N 1 2 401.507 2.281 20 0 HEADLO CS(=O)(=O)Nc1ccc(COC(=O)C[C@H]2C[N@H+](Cc3ccccc3)CCO2)cc1 ZINC000741353142 1076492575 /nfs/dbraw/zinc/49/25/75/1076492575.db2.gz IHXNGKXJMJYVAT-FQEVSTJZSA-N 1 2 418.515 2.392 20 0 HEADLO CS(=O)(=O)Nc1ccc(COC(=O)C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1 ZINC000741353142 1076492576 /nfs/dbraw/zinc/49/25/76/1076492576.db2.gz IHXNGKXJMJYVAT-FQEVSTJZSA-N 1 2 418.515 2.392 20 0 HEADLO C[C@H](NC(=O)COC(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1)C(=O)N1CCCCC1 ZINC000741353024 1076492618 /nfs/dbraw/zinc/49/26/18/1076492618.db2.gz OXFNFPQVTNEOMQ-AZUAARDMSA-N 1 2 415.534 2.102 20 0 HEADLO C[C@H](NC(=O)COC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1)C(=O)N1CCCCC1 ZINC000741353024 1076492622 /nfs/dbraw/zinc/49/26/22/1076492622.db2.gz OXFNFPQVTNEOMQ-AZUAARDMSA-N 1 2 415.534 2.102 20 0 HEADLO O=C(COC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1)NCCc1c(F)cccc1F ZINC000741382919 1076506993 /nfs/dbraw/zinc/50/69/93/1076506993.db2.gz JURIWTHXDGRXGQ-FQEVSTJZSA-N 1 2 418.440 2.068 20 0 HEADLO O=C(COC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)NCCc1c(F)cccc1F ZINC000741382919 1076506998 /nfs/dbraw/zinc/50/69/98/1076506998.db2.gz JURIWTHXDGRXGQ-FQEVSTJZSA-N 1 2 418.440 2.068 20 0 HEADLO CC(C)n1nccc1NC(=O)[C@@H](C)OC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000741382605 1076507013 /nfs/dbraw/zinc/50/70/13/1076507013.db2.gz QOFYLMHBQXJBBK-AEFFLSMTSA-N 1 2 400.479 2.235 20 0 HEADLO CC(C)n1nccc1NC(=O)[C@@H](C)OC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000741382605 1076507021 /nfs/dbraw/zinc/50/70/21/1076507021.db2.gz QOFYLMHBQXJBBK-AEFFLSMTSA-N 1 2 400.479 2.235 20 0 HEADLO C[C@H](OC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1)C(=O)N1CCc2ccccc2C1 ZINC000741382525 1076507386 /nfs/dbraw/zinc/50/73/86/1076507386.db2.gz OSCIHPYTAXUAHR-PGRDOPGGSA-N 1 2 408.498 2.404 20 0 HEADLO C[C@H](OC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1)C(=O)N1CCc2ccccc2C1 ZINC000741382525 1076507392 /nfs/dbraw/zinc/50/73/92/1076507392.db2.gz OSCIHPYTAXUAHR-PGRDOPGGSA-N 1 2 408.498 2.404 20 0 HEADLO COc1ccccc1[C@H](C)NC(=O)COC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000741385012 1076508315 /nfs/dbraw/zinc/50/83/15/1076508315.db2.gz YVFAYODJTJSDSV-LAUBAEHRSA-N 1 2 412.486 2.317 20 0 HEADLO COc1ccccc1[C@H](C)NC(=O)COC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000741385012 1076508323 /nfs/dbraw/zinc/50/83/23/1076508323.db2.gz YVFAYODJTJSDSV-LAUBAEHRSA-N 1 2 412.486 2.317 20 0 HEADLO COc1cccc(CNC(=O)[C@H](C)OC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c1 ZINC000741384551 1076508794 /nfs/dbraw/zinc/50/87/94/1076508794.db2.gz PSOYDXWKOKFIKY-UWJYYQICSA-N 1 2 412.486 2.144 20 0 HEADLO COc1cccc(CNC(=O)[C@H](C)OC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c1 ZINC000741384551 1076508802 /nfs/dbraw/zinc/50/88/02/1076508802.db2.gz PSOYDXWKOKFIKY-UWJYYQICSA-N 1 2 412.486 2.144 20 0 HEADLO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)NCC[S@@](=O)Cc2ccccc2)C[C@H](C)O1 ZINC000741418465 1076517658 /nfs/dbraw/zinc/51/76/58/1076517658.db2.gz GBSBMHKLJINRSF-JSOOCYSNSA-N 1 2 407.580 2.219 20 0 HEADLO C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)NCC[S@@](=O)Cc2ccccc2)C[C@H](C)O1 ZINC000741418465 1076517663 /nfs/dbraw/zinc/51/76/63/1076517663.db2.gz GBSBMHKLJINRSF-JSOOCYSNSA-N 1 2 407.580 2.219 20 0 HEADLO COc1ccc(C)cc1C[NH+]1CCN([C@@H](C)C(=O)Nc2sccc2C(N)=O)CC1 ZINC000741677629 1076583797 /nfs/dbraw/zinc/58/37/97/1076583797.db2.gz WYJUFPPLKKUWIW-HNNXBMFYSA-N 1 2 416.547 2.309 20 0 HEADLO O=C(CN1CC[NH+](C[C@H]2CN(c3ccccc3)C(=O)O2)CC1)N1CCc2ccccc21 ZINC000741776508 1076622822 /nfs/dbraw/zinc/62/28/22/1076622822.db2.gz KJTYVCFVCPZWBU-NRFANRHFSA-N 1 2 420.513 2.219 20 0 HEADLO O=C1O[C@@H](C[N@@H+]2CCCN(S(=O)(=O)c3ccccc3)CC2)CN1c1ccccc1 ZINC000741785215 1076626372 /nfs/dbraw/zinc/62/63/72/1076626372.db2.gz XGEJURVZMRSYIT-IBGZPJMESA-N 1 2 415.515 2.408 20 0 HEADLO O=C1O[C@@H](C[N@H+]2CCCN(S(=O)(=O)c3ccccc3)CC2)CN1c1ccccc1 ZINC000741785215 1076626378 /nfs/dbraw/zinc/62/63/78/1076626378.db2.gz XGEJURVZMRSYIT-IBGZPJMESA-N 1 2 415.515 2.408 20 0 HEADLO O=C1O[C@H](C[NH+]2CCN([C@H]3CCN(c4ccccc4)C3=O)CC2)CN1c1ccccc1 ZINC000741788451 1076627799 /nfs/dbraw/zinc/62/77/99/1076627799.db2.gz WVHZERIUWASNBN-YADHBBJMSA-N 1 2 420.513 2.435 20 0 HEADLO CNC(=O)[C@@H](NC(=O)C[NH+]1CCC(O)(c2cccc(C)c2C)CC1)c1ccccc1 ZINC000741805390 1076643566 /nfs/dbraw/zinc/64/35/66/1076643566.db2.gz QDBZLTNYOOAJSV-QFIPXVFZSA-N 1 2 409.530 2.190 20 0 HEADLO CCOC(=O)c1csc(N(C(=O)C2CC[NH+](Cc3nccn3C)CC2)C2CC2)n1 ZINC000741946649 1076690012 /nfs/dbraw/zinc/69/00/12/1076690012.db2.gz PTVILFQJPSZGTB-UHFFFAOYSA-N 1 2 417.535 2.461 20 0 HEADLO COC(=O)CCN(C(=O)C1CC[NH+](Cc2nccn2C)CC1)c1cccc(F)c1 ZINC000741955631 1076693846 /nfs/dbraw/zinc/69/38/46/1076693846.db2.gz TUCNYDJSGXNKRJ-UHFFFAOYSA-N 1 2 402.470 2.368 20 0 HEADLO CN(C)C(=O)N1CCC(C(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)CC1 ZINC000741983547 1076703379 /nfs/dbraw/zinc/70/33/79/1076703379.db2.gz YMOMXIWDRZKZSN-UHFFFAOYSA-N 1 2 401.555 2.231 20 0 HEADLO CCC(=O)N[C@H](CCSC)C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000742109450 1076744951 /nfs/dbraw/zinc/74/49/51/1076744951.db2.gz PNVIHUXFQNECDD-LJQANCHMSA-N 1 2 406.596 2.486 20 0 HEADLO CCC1(O)CC[NH+](CN2C(=O)N[C@](C)(c3ccc(Br)s3)C2=O)CC1 ZINC000742172106 1076763713 /nfs/dbraw/zinc/76/37/13/1076763713.db2.gz WSJBUDOKJMOXDF-OAHLLOKOSA-N 1 2 416.341 2.472 20 0 HEADLO COc1ccc(CCN2C(=O)C(=O)N(C[N@@H+]3Cc4ccccc4C[C@@H]3C)C2=O)cc1 ZINC000742159526 1076771850 /nfs/dbraw/zinc/77/18/50/1076771850.db2.gz QQLWTCMKOBNGDT-INIZCTEOSA-N 1 2 407.470 2.433 20 0 HEADLO COc1ccc(CCN2C(=O)C(=O)N(C[N@H+]3Cc4ccccc4C[C@@H]3C)C2=O)cc1 ZINC000742159526 1076771856 /nfs/dbraw/zinc/77/18/56/1076771856.db2.gz QQLWTCMKOBNGDT-INIZCTEOSA-N 1 2 407.470 2.433 20 0 HEADLO C[C@H](CNC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl)Cn1cc[nH+]c1 ZINC000742180215 1076796512 /nfs/dbraw/zinc/79/65/12/1076796512.db2.gz SQNMXBMCBAXDCU-CQSZACIVSA-N 1 2 410.927 2.387 20 0 HEADLO CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC([N@H+](C)CC(F)F)CC1 ZINC000742236600 1076803019 /nfs/dbraw/zinc/80/30/19/1076803019.db2.gz CUQWOTGQVQRZRD-IBGZPJMESA-N 1 2 406.477 2.403 20 0 HEADLO CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC([N@@H+](C)CC(F)F)CC1 ZINC000742236600 1076803020 /nfs/dbraw/zinc/80/30/20/1076803020.db2.gz CUQWOTGQVQRZRD-IBGZPJMESA-N 1 2 406.477 2.403 20 0 HEADLO Cc1nnnn1[C@H](Cc1ccc(F)cc1)C(=O)N1CCC([N@H+](C)CC(F)F)CC1 ZINC000742238107 1076803597 /nfs/dbraw/zinc/80/35/97/1076803597.db2.gz TXMPCPIHICHLHG-QGZVFWFLSA-N 1 2 410.444 2.092 20 0 HEADLO Cc1nnnn1[C@H](Cc1ccc(F)cc1)C(=O)N1CCC([N@@H+](C)CC(F)F)CC1 ZINC000742238107 1076803601 /nfs/dbraw/zinc/80/36/01/1076803601.db2.gz TXMPCPIHICHLHG-QGZVFWFLSA-N 1 2 410.444 2.092 20 0 HEADLO CC(C)(C)OC(=O)N1CC[NH+](CCCNC(=O)c2cc(-c3ccccn3)no2)CC1 ZINC000742245698 1076805204 /nfs/dbraw/zinc/80/52/04/1076805204.db2.gz RBTVIMOXVRUZGM-UHFFFAOYSA-N 1 2 415.494 2.409 20 0 HEADLO O=C(C[C@H]1C[N@H+](Cc2ccccc2)CCO1)NCC[S@](=O)Cc1ccccc1 ZINC000742252431 1076809845 /nfs/dbraw/zinc/80/98/45/1076809845.db2.gz AWYBAWSNCILXQQ-KMRXNPHXSA-N 1 2 400.544 2.343 20 0 HEADLO O=C(C[C@H]1C[N@@H+](Cc2ccccc2)CCO1)NCC[S@](=O)Cc1ccccc1 ZINC000742252431 1076809847 /nfs/dbraw/zinc/80/98/47/1076809847.db2.gz AWYBAWSNCILXQQ-KMRXNPHXSA-N 1 2 400.544 2.343 20 0 HEADLO O=C(c1cn(Cc2ccccn2)nn1)N1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC000742504443 1076845797 /nfs/dbraw/zinc/84/57/97/1076845797.db2.gz HITQBIKJGCZWCE-UHFFFAOYSA-N 1 2 413.485 2.228 20 0 HEADLO CC(=O)NC[C@H]1CCC[N@H+](CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)C1 ZINC000742557167 1076851521 /nfs/dbraw/zinc/85/15/21/1076851521.db2.gz BRMYNSLSLQIHSR-LJQANCHMSA-N 1 2 420.513 2.288 20 0 HEADLO CC(=O)NC[C@H]1CCC[N@@H+](CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)C1 ZINC000742557167 1076851522 /nfs/dbraw/zinc/85/15/22/1076851522.db2.gz BRMYNSLSLQIHSR-LJQANCHMSA-N 1 2 420.513 2.288 20 0 HEADLO CC[N@H+](C)C[C@H]1CCN(C(=O)c2ccc3c(c2)[nH]c(=S)n(CCCOC)c3=O)C1 ZINC000742915660 1076896941 /nfs/dbraw/zinc/89/69/41/1076896941.db2.gz OQDMIZZZMBFNII-OAHLLOKOSA-N 1 2 418.563 2.136 20 0 HEADLO CC[N@@H+](C)C[C@H]1CCN(C(=O)c2ccc3c(c2)[nH]c(=S)n(CCCOC)c3=O)C1 ZINC000742915660 1076896942 /nfs/dbraw/zinc/89/69/42/1076896942.db2.gz OQDMIZZZMBFNII-OAHLLOKOSA-N 1 2 418.563 2.136 20 0 HEADLO COc1ccc(Cl)c(NC(=S)NC2CC[NH+](CCS(C)(=O)=O)CC2)c1 ZINC000742998786 1076916613 /nfs/dbraw/zinc/91/66/13/1076916613.db2.gz MEZWDWWNWHFVMD-UHFFFAOYSA-N 1 2 405.973 2.144 20 0 HEADLO C[C@@H]1C[N@H+](CN2C(=O)N[C@@]3(CCCC[C@H]3CNC(=O)OC(C)(C)C)C2=O)CCCO1 ZINC000743368589 1077033820 /nfs/dbraw/zinc/03/38/20/1077033820.db2.gz QJCQKHNTAOZCSV-VWKPWSFCSA-N 1 2 424.542 2.060 20 0 HEADLO C[C@@H]1C[N@@H+](CN2C(=O)N[C@@]3(CCCC[C@H]3CNC(=O)OC(C)(C)C)C2=O)CCCO1 ZINC000743368589 1077033828 /nfs/dbraw/zinc/03/38/28/1077033828.db2.gz QJCQKHNTAOZCSV-VWKPWSFCSA-N 1 2 424.542 2.060 20 0 HEADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC000743537480 1077070615 /nfs/dbraw/zinc/07/06/15/1077070615.db2.gz PWXFPVWSMHPETL-WMZOPIPTSA-N 1 2 406.527 2.272 20 0 HEADLO CCc1nc(C)c([C@H](C)N(C)C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)s1 ZINC000743601791 1077078855 /nfs/dbraw/zinc/07/88/55/1077078855.db2.gz JAQBJWQUBWWXCD-AWEZNQCLSA-N 1 2 416.613 2.225 20 0 HEADLO COCc1nc(C[N@@H+]2CCC[C@@H](C(=O)NCCNC(=O)OC(C)(C)C)C2)cs1 ZINC000743842396 1077133171 /nfs/dbraw/zinc/13/31/71/1077133171.db2.gz CLZSHBBEUQAMEB-CQSZACIVSA-N 1 2 412.556 2.142 20 0 HEADLO COCc1nc(C[N@H+]2CCC[C@@H](C(=O)NCCNC(=O)OC(C)(C)C)C2)cs1 ZINC000743842396 1077133188 /nfs/dbraw/zinc/13/31/88/1077133188.db2.gz CLZSHBBEUQAMEB-CQSZACIVSA-N 1 2 412.556 2.142 20 0 HEADLO COc1cc(NC(=O)OC(C)(C)C)c(Cl)cc1C(=O)N1CC[NH+](CCO)CC1 ZINC000743823513 1077134718 /nfs/dbraw/zinc/13/47/18/1077134718.db2.gz QIIRJHCOPMVSGU-UHFFFAOYSA-N 1 2 413.902 2.446 20 0 HEADLO CCOC(=O)C1C(C[NH+]2CCC(O)(CC)CC2)=NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000743855706 1077143665 /nfs/dbraw/zinc/14/36/65/1077143665.db2.gz XITTVNBOLJREBK-LJQANCHMSA-N 1 2 417.506 2.103 20 0 HEADLO CCOC(=O)C1=C(C[NH+]2CCC(O)(CC)CC2)NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000743855706 1077143672 /nfs/dbraw/zinc/14/36/72/1077143672.db2.gz XITTVNBOLJREBK-LJQANCHMSA-N 1 2 417.506 2.103 20 0 HEADLO CCCCOC(=O)c1ccc(NC(=O)CN2CCC[C@@H]2C[NH+]2CCOCC2)cc1 ZINC000743856270 1077143753 /nfs/dbraw/zinc/14/37/53/1077143753.db2.gz ANNJUUXMGRXCJB-HXUWFJFHSA-N 1 2 403.523 2.379 20 0 HEADLO C[C@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@@H+]1CCc2c(cccc2N2CCOC2=O)C1 ZINC000743858444 1077145099 /nfs/dbraw/zinc/14/50/99/1077145099.db2.gz XPVLBBHJQCFZET-YJBOKZPZSA-N 1 2 414.506 2.406 20 0 HEADLO C[C@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@H+]1CCc2c(cccc2N2CCOC2=O)C1 ZINC000743858444 1077145117 /nfs/dbraw/zinc/14/51/17/1077145117.db2.gz XPVLBBHJQCFZET-YJBOKZPZSA-N 1 2 414.506 2.406 20 0 HEADLO CCOC(=O)c1cnc(N2CC[NH+](C[C@H](O)c3cc(OC)ccc3OC)CC2)s1 ZINC000743859610 1077145939 /nfs/dbraw/zinc/14/59/39/1077145939.db2.gz FVLYCVZEOFSVCE-INIZCTEOSA-N 1 2 421.519 2.193 20 0 HEADLO CCO[C@H](C)c1noc(CN2CC[NH+](C[C@H](O)c3cc(OC)ccc3OC)CC2)n1 ZINC000743859147 1077146021 /nfs/dbraw/zinc/14/60/21/1077146021.db2.gz VWNWRSFURZJVCM-QAPCUYQASA-N 1 2 420.510 2.036 20 0 HEADLO CN(C)S(=O)(=O)c1ccc(C[N@@H+]2CCC[C@H]2CN(C)C(=O)OC(C)(C)C)o1 ZINC000743866370 1077150030 /nfs/dbraw/zinc/15/00/30/1077150030.db2.gz LCOBWHAWCQSWLH-AWEZNQCLSA-N 1 2 401.529 2.361 20 0 HEADLO CN(C)S(=O)(=O)c1ccc(C[N@H+]2CCC[C@H]2CN(C)C(=O)OC(C)(C)C)o1 ZINC000743866370 1077150044 /nfs/dbraw/zinc/15/00/44/1077150044.db2.gz LCOBWHAWCQSWLH-AWEZNQCLSA-N 1 2 401.529 2.361 20 0 HEADLO CCc1ccc(N2CC[NH+](CC(=O)N(CCC(N)=O)c3ccc(F)cc3)CC2)cc1 ZINC000743868271 1077154075 /nfs/dbraw/zinc/15/40/75/1077154075.db2.gz ZLQRWHPNPVJBRP-UHFFFAOYSA-N 1 2 412.509 2.419 20 0 HEADLO CC[NH+]1CCN(C(=O)C(=O)Nc2ccc([C@H](C)NC(=O)OC(C)(C)C)cc2)CC1 ZINC000743886986 1077179563 /nfs/dbraw/zinc/17/95/63/1077179563.db2.gz DQNUWSGACUFNCK-HNNXBMFYSA-N 1 2 404.511 2.375 20 0 HEADLO O=C(NCc1ccccc1OCC[NH+]1CCOCC1)[C@H]1CC(c2ccccc2)=NO1 ZINC000743937573 1077228367 /nfs/dbraw/zinc/22/83/67/1077228367.db2.gz QWLZSSJMAHTFAL-JOCHJYFZSA-N 1 2 409.486 2.207 20 0 HEADLO C=C1c2ccccc2C(=O)N1CC(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000743936919 1077229495 /nfs/dbraw/zinc/22/94/95/1077229495.db2.gz HFBMCXXGTXSFPN-UHFFFAOYSA-N 1 2 421.497 2.141 20 0 HEADLO Cc1n[nH]c(C(=O)NCc2ccccc2OCC[NH+]2CCOCC2)c1Br ZINC000743926904 1077252025 /nfs/dbraw/zinc/25/20/25/1077252025.db2.gz FYXBPOZWZKLRGM-UHFFFAOYSA-N 1 2 423.311 2.122 20 0 HEADLO C[C@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)[NH+]1CCC(c2cc3ccccc3[nH]2)CC1 ZINC000744232871 1077346243 /nfs/dbraw/zinc/34/62/43/1077346243.db2.gz NVWVVXTYXSNMBF-QAPCUYQASA-N 1 2 403.548 2.381 20 0 HEADLO CC(=O)OC1CCN(C(=O)N[C@@H](c2ccc(Cl)cc2)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000766320437 1077434577 /nfs/dbraw/zinc/43/45/77/1077434577.db2.gz OLFSRUDIQHRIEW-MOPGFXCFSA-N 1 2 409.914 2.449 20 0 HEADLO CC(=O)OC1CCN(C(=O)N[C@@H](c2ccc(Cl)cc2)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000766320437 1077434594 /nfs/dbraw/zinc/43/45/94/1077434594.db2.gz OLFSRUDIQHRIEW-MOPGFXCFSA-N 1 2 409.914 2.449 20 0 HEADLO C[N@@H+]1CCO[C@H]([C@H](NC(=O)N2CCC3(CC2)OCCO3)c2ccc(Cl)cc2)C1 ZINC000766319642 1077443153 /nfs/dbraw/zinc/44/31/53/1077443153.db2.gz OSRDWZKLXVKFBH-ZWKOTPCHSA-N 1 2 409.914 2.260 20 0 HEADLO C[N@H+]1CCO[C@H]([C@H](NC(=O)N2CCC3(CC2)OCCO3)c2ccc(Cl)cc2)C1 ZINC000766319642 1077443160 /nfs/dbraw/zinc/44/31/60/1077443160.db2.gz OSRDWZKLXVKFBH-ZWKOTPCHSA-N 1 2 409.914 2.260 20 0 HEADLO Cc1ccc(N2CCC(C(=O)OCC(=O)N=c3cc[nH]n3[C@@H](C)C3CC3)CC2)[nH+]c1 ZINC000744848219 1077632747 /nfs/dbraw/zinc/63/27/47/1077632747.db2.gz OFNFAJNKKVIMDB-INIZCTEOSA-N 1 2 411.506 2.378 20 0 HEADLO CC[NH+](CC)[C@H](C(=O)O[C@H](C)C(=O)NC(=O)NCC(F)(F)F)c1ccccc1 ZINC000744995629 1077699784 /nfs/dbraw/zinc/69/97/84/1077699784.db2.gz GMYHBTDHBDLNCU-OCCSQVGLSA-N 1 2 403.401 2.389 20 0 HEADLO CC[N@@H+]1CCCC[C@@H]1C(=O)OCC(=O)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000745087107 1077724561 /nfs/dbraw/zinc/72/45/61/1077724561.db2.gz VESMPNVMKXWKPX-LJQANCHMSA-N 1 2 407.555 2.045 20 0 HEADLO CC[N@H+]1CCCC[C@@H]1C(=O)OCC(=O)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000745087107 1077724571 /nfs/dbraw/zinc/72/45/71/1077724571.db2.gz VESMPNVMKXWKPX-LJQANCHMSA-N 1 2 407.555 2.045 20 0 HEADLO CC[N@H+](C)[C@H](C(=O)OCC(=O)N1CCC(C(=O)N(C)C(C)C)CC1)c1ccccc1 ZINC000745097568 1077729455 /nfs/dbraw/zinc/72/94/55/1077729455.db2.gz GKJYLKIPLRZKIK-NRFANRHFSA-N 1 2 417.550 2.328 20 0 HEADLO CC[N@@H+](C)[C@H](C(=O)OCC(=O)N1CCC(C(=O)N(C)C(C)C)CC1)c1ccccc1 ZINC000745097568 1077729468 /nfs/dbraw/zinc/72/94/68/1077729468.db2.gz GKJYLKIPLRZKIK-NRFANRHFSA-N 1 2 417.550 2.328 20 0 HEADLO CCOC(=O)[C@@H]1CCCN(C(=O)[C@H](C)OC(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC000745099400 1077730417 /nfs/dbraw/zinc/73/04/17/1077730417.db2.gz IPCKBJADDYZCHF-UHOSZYNNSA-N 1 2 404.507 2.413 20 0 HEADLO CCOC(=O)[C@@H]1CCCN(C(=O)[C@H](C)OC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC000745099400 1077730421 /nfs/dbraw/zinc/73/04/21/1077730421.db2.gz IPCKBJADDYZCHF-UHOSZYNNSA-N 1 2 404.507 2.413 20 0 HEADLO C[N@@H+]1CCCC[C@@H]1C(=O)OCC(=O)N1c2ccccc2NC(=O)C[C@@H]1C(F)(F)F ZINC000745083864 1077736277 /nfs/dbraw/zinc/73/62/77/1077736277.db2.gz YUFJLHZOSOGBTE-HUUCEWRRSA-N 1 2 413.396 2.320 20 0 HEADLO C[N@H+]1CCCC[C@@H]1C(=O)OCC(=O)N1c2ccccc2NC(=O)C[C@@H]1C(F)(F)F ZINC000745083864 1077736283 /nfs/dbraw/zinc/73/62/83/1077736283.db2.gz YUFJLHZOSOGBTE-HUUCEWRRSA-N 1 2 413.396 2.320 20 0 HEADLO Cc1cc([C@@](C)(O)CNC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c(C)o1 ZINC000745289047 1077803872 /nfs/dbraw/zinc/80/38/72/1077803872.db2.gz DUJXDZCCBJLERF-KNQAVFIVSA-N 1 2 401.507 2.304 20 0 HEADLO Cc1cc([C@@](C)(O)CNC(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c(C)o1 ZINC000745289047 1077803873 /nfs/dbraw/zinc/80/38/73/1077803873.db2.gz DUJXDZCCBJLERF-KNQAVFIVSA-N 1 2 401.507 2.304 20 0 HEADLO COc1ccc(C(=O)OCC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)c(C)c1 ZINC000745338591 1077806419 /nfs/dbraw/zinc/80/64/19/1077806419.db2.gz LQJGRNOUYGPQGW-UHFFFAOYSA-N 1 2 424.497 2.440 20 0 HEADLO C[C@@H](C(=O)Nc1sccc1C(N)=O)[N@@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000771792346 1079509423 /nfs/dbraw/zinc/50/94/23/1079509423.db2.gz VQDWMQDQSQAMKA-KBPBESRZSA-N 1 2 416.551 2.372 20 0 HEADLO C[C@@H](C(=O)Nc1sccc1C(N)=O)[N@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000771792346 1079509436 /nfs/dbraw/zinc/50/94/36/1079509436.db2.gz VQDWMQDQSQAMKA-KBPBESRZSA-N 1 2 416.551 2.372 20 0 HEADLO O=C(COC(=O)c1ccnc(Cl)c1F)NCc1ccccc1C[NH+]1CCOCC1 ZINC000766935274 1079514090 /nfs/dbraw/zinc/51/40/90/1079514090.db2.gz MBXZTSUDJSMUBL-UHFFFAOYSA-N 1 2 421.856 2.180 20 0 HEADLO Cn1cc([C@H](O)C[C@@H]2CCC[N@@H+]2CC(=O)N(Cc2ccco2)CC(F)(F)F)cn1 ZINC000766952671 1079517208 /nfs/dbraw/zinc/51/72/08/1079517208.db2.gz BPXDWEVBGAIQCV-DOTOQJQBSA-N 1 2 414.428 2.492 20 0 HEADLO Cn1cc([C@H](O)C[C@@H]2CCC[N@H+]2CC(=O)N(Cc2ccco2)CC(F)(F)F)cn1 ZINC000766952671 1079517212 /nfs/dbraw/zinc/51/72/12/1079517212.db2.gz BPXDWEVBGAIQCV-DOTOQJQBSA-N 1 2 414.428 2.492 20 0 HEADLO COC(=O)C[C@H]1CCC[N@@H+]1Cn1nc(N2CCOCC2)n(-c2ccccc2)c1=S ZINC000771861948 1079554605 /nfs/dbraw/zinc/55/46/05/1079554605.db2.gz ITTDYCWSTOPBMT-QGZVFWFLSA-N 1 2 417.535 2.225 20 0 HEADLO COC(=O)C[C@H]1CCC[N@H+]1Cn1nc(N2CCOCC2)n(-c2ccccc2)c1=S ZINC000771861948 1079554629 /nfs/dbraw/zinc/55/46/29/1079554629.db2.gz ITTDYCWSTOPBMT-QGZVFWFLSA-N 1 2 417.535 2.225 20 0 HEADLO COC(=O)Nc1ccc(CNC(=O)C[NH+]2CCC([C@@H](O)C(F)(F)F)CC2)cc1 ZINC000767019092 1079592874 /nfs/dbraw/zinc/59/28/74/1079592874.db2.gz FHNDWDDERMNWJE-MRXNPFEDSA-N 1 2 403.401 2.116 20 0 HEADLO CC(C)(C(=O)OCCn1cc[nH+]c1)S(=O)(=O)c1ccc(Br)cc1 ZINC000771951599 1079598628 /nfs/dbraw/zinc/59/86/28/1079598628.db2.gz RLXFJQMWSARNMO-UHFFFAOYSA-N 1 2 401.282 2.441 20 0 HEADLO COc1cccc(OCC[NH+]2CCN(CC(=O)Nc3cccnc3Cl)CC2)c1 ZINC000767049072 1079606128 /nfs/dbraw/zinc/60/61/28/1079606128.db2.gz UTSUCPDRAIGPEL-UHFFFAOYSA-N 1 2 404.898 2.379 20 0 HEADLO COc1ccc(C(=O)OCCn2cc[nH+]c2)cc1S(=O)(=O)Cc1cc(C)no1 ZINC000771931860 1079620089 /nfs/dbraw/zinc/62/00/89/1079620089.db2.gz BEGPCFAALAKNGB-UHFFFAOYSA-N 1 2 405.432 2.019 20 0 HEADLO C[C@@H]1CN(c2ccc(NC(=O)COC(=O)C[N@H+](C)[C@H]3CCSC3)cc2)C[C@H](C)O1 ZINC000767111876 1079665429 /nfs/dbraw/zinc/66/54/29/1079665429.db2.gz MWISJZDSLRHJAG-FCEWJHQRSA-N 1 2 421.563 2.219 20 0 HEADLO C[C@@H]1CN(c2ccc(NC(=O)COC(=O)C[N@@H+](C)[C@H]3CCSC3)cc2)C[C@H](C)O1 ZINC000767111876 1079665440 /nfs/dbraw/zinc/66/54/40/1079665440.db2.gz MWISJZDSLRHJAG-FCEWJHQRSA-N 1 2 421.563 2.219 20 0 HEADLO C[N@H+](CC(=O)OCC(=O)Nc1ccccc1C(=O)NC1CCCC1)[C@@H]1CCSC1 ZINC000772049461 1079669917 /nfs/dbraw/zinc/66/99/17/1079669917.db2.gz OFEBLUFTMOYPAY-MRXNPFEDSA-N 1 2 419.547 2.278 20 0 HEADLO C[N@@H+](CC(=O)OCC(=O)Nc1ccccc1C(=O)NC1CCCC1)[C@@H]1CCSC1 ZINC000772049461 1079669922 /nfs/dbraw/zinc/66/99/22/1079669922.db2.gz OFEBLUFTMOYPAY-MRXNPFEDSA-N 1 2 419.547 2.278 20 0 HEADLO COc1cc(NC(=O)COC(=O)C[N@H+](C)[C@@H]2CCSC2)c(OC)cc1Cl ZINC000772052167 1079672782 /nfs/dbraw/zinc/67/27/82/1079672782.db2.gz XIKILLNKSCFVJA-LLVKDONJSA-N 1 2 402.900 2.276 20 0 HEADLO COc1cc(NC(=O)COC(=O)C[N@@H+](C)[C@@H]2CCSC2)c(OC)cc1Cl ZINC000772052167 1079672785 /nfs/dbraw/zinc/67/27/85/1079672785.db2.gz XIKILLNKSCFVJA-LLVKDONJSA-N 1 2 402.900 2.276 20 0 HEADLO C[C@H](OC(=O)C[N@H+](C)[C@H]1CCSC1)C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 ZINC000767118614 1079686788 /nfs/dbraw/zinc/68/67/88/1079686788.db2.gz XEOAMXGKAIQNAC-DZKIICNBSA-N 1 2 408.520 2.004 20 0 HEADLO C[C@H](OC(=O)C[N@@H+](C)[C@H]1CCSC1)C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 ZINC000767118614 1079686794 /nfs/dbraw/zinc/68/67/94/1079686794.db2.gz XEOAMXGKAIQNAC-DZKIICNBSA-N 1 2 408.520 2.004 20 0 HEADLO C[N@H+](CC(=O)OCC(=O)Nc1cc2c(cc1Cl)OCCCO2)[C@@H]1CCSC1 ZINC000772061829 1079704423 /nfs/dbraw/zinc/70/44/23/1079704423.db2.gz NKJMUNCQKYGZOX-GFCCVEGCSA-N 1 2 414.911 2.420 20 0 HEADLO C[N@@H+](CC(=O)OCC(=O)Nc1cc2c(cc1Cl)OCCCO2)[C@@H]1CCSC1 ZINC000772061829 1079704436 /nfs/dbraw/zinc/70/44/36/1079704436.db2.gz NKJMUNCQKYGZOX-GFCCVEGCSA-N 1 2 414.911 2.420 20 0 HEADLO Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(Oc3ccnc(C(N)=O)c3)CC2)cc1F ZINC000772336972 1079829821 /nfs/dbraw/zinc/82/98/21/1079829821.db2.gz XZCLYHSBZQHBLS-CQSZACIVSA-N 1 2 400.454 2.498 20 0 HEADLO Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC(Oc3ccnc(C(N)=O)c3)CC2)c(F)c1 ZINC000772345812 1079834469 /nfs/dbraw/zinc/83/44/69/1079834469.db2.gz MGTGFUVAPSTDDS-AWEZNQCLSA-N 1 2 400.454 2.498 20 0 HEADLO Cc1nnnn1/C(=C/c1ccc(F)cc1)C(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000746540422 1079879217 /nfs/dbraw/zinc/87/92/17/1079879217.db2.gz TVGFGUBSBVERDX-XDHOZWIPSA-N 1 2 405.437 2.434 20 0 HEADLO O=C(OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccc(F)cc1I ZINC000767491048 1079907129 /nfs/dbraw/zinc/90/71/29/1079907129.db2.gz PZGRMDXHFLWSIB-TXEJJXNPSA-N 1 2 405.207 2.450 20 0 HEADLO O=C(OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccc(F)cc1I ZINC000767491048 1079907139 /nfs/dbraw/zinc/90/71/39/1079907139.db2.gz PZGRMDXHFLWSIB-TXEJJXNPSA-N 1 2 405.207 2.450 20 0 HEADLO Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1NC(=O)N[C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000772538019 1079920828 /nfs/dbraw/zinc/92/08/28/1079920828.db2.gz XFZOMADFJQJOGB-HOTGVXAUSA-N 1 2 422.555 2.292 20 0 HEADLO CC(C)N(C(=O)[C@H](C)OC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1)C(C)C ZINC000767535862 1079936367 /nfs/dbraw/zinc/93/63/67/1079936367.db2.gz CEWNVWTUSVRWJE-SFHVURJKSA-N 1 2 418.538 2.088 20 0 HEADLO CN1C(=O)C[C@H](C(=O)OCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000767580276 1079965595 /nfs/dbraw/zinc/96/55/95/1079965595.db2.gz NMAZQZXLZHXQKA-YGTYGHESSA-N 1 2 410.873 2.405 20 0 HEADLO CN1C(=O)C[C@H](C(=O)OCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000767580276 1079965614 /nfs/dbraw/zinc/96/56/14/1079965614.db2.gz NMAZQZXLZHXQKA-YGTYGHESSA-N 1 2 410.873 2.405 20 0 HEADLO O=C(c1ccccc1)c1ccccc1S(=O)(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000772571527 1079974872 /nfs/dbraw/zinc/97/48/72/1079974872.db2.gz HNHKRTJUXFEOGQ-ZWKOTPCHSA-N 1 2 400.500 2.059 20 0 HEADLO O=C(c1ccccc1)c1ccccc1S(=O)(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000772571527 1079974899 /nfs/dbraw/zinc/97/48/99/1079974899.db2.gz HNHKRTJUXFEOGQ-ZWKOTPCHSA-N 1 2 400.500 2.059 20 0 HEADLO C[C@H]([C@H](C)NC(=O)N(C1CC1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1)[NH+]1CCOCC1 ZINC000772602094 1080002995 /nfs/dbraw/zinc/00/29/95/1080002995.db2.gz SDPFRUFHPNURRR-LZLYRXPVSA-N 1 2 410.559 2.279 20 0 HEADLO CC(C)C[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000767702691 1080031625 /nfs/dbraw/zinc/03/16/25/1080031625.db2.gz BMZAMROMJIZLIM-WOJBJXKFSA-N 1 2 403.523 2.261 20 0 HEADLO CS(=O)(=O)Nc1ccc(N2CC[NH+](Cc3nnc(-c4ccccc4)o3)CC2)cc1 ZINC000767747355 1080064276 /nfs/dbraw/zinc/06/42/76/1080064276.db2.gz MXOUBEOJBACOJI-UHFFFAOYSA-N 1 2 413.503 2.430 20 0 HEADLO O=C(COC(=O)c1cc(F)c(F)cc1F)NCc1ccccc1C[NH+]1CCOCC1 ZINC000785595000 1080067271 /nfs/dbraw/zinc/06/72/71/1080067271.db2.gz KREMJMFWEOILNM-UHFFFAOYSA-N 1 2 422.403 2.409 20 0 HEADLO O=C(C[NH+]1CCC(NC(=O)NC[C@@H](O)c2ccc(F)cc2)CC1)Nc1ccccc1 ZINC000767752863 1080087070 /nfs/dbraw/zinc/08/70/70/1080087070.db2.gz AXXLQJQPLOIHAG-HXUWFJFHSA-N 1 2 414.481 2.261 20 0 HEADLO COc1cccc([C@@H]2CN(C(=O)[C@]3(Cc4ccccc4)CCN(C)C3=O)CC[NH2+]2)c1 ZINC001169975658 1080093265 /nfs/dbraw/zinc/09/32/65/1080093265.db2.gz REDZRVQJLUFMIV-URXFXBBRSA-N 1 2 407.514 2.259 20 0 HEADLO CC(C)(C)OC(=O)N1C[C@H]([N@@H+]2CCc3ncccc3C2)C[C@H]1C(=O)N1CCSC1 ZINC001170048509 1080098535 /nfs/dbraw/zinc/09/85/35/1080098535.db2.gz ONIRJAGEGMKCCN-AEFFLSMTSA-N 1 2 418.563 2.351 20 0 HEADLO CC(C)(C)OC(=O)N1C[C@H]([N@H+]2CCc3ncccc3C2)C[C@H]1C(=O)N1CCSC1 ZINC001170048509 1080098548 /nfs/dbraw/zinc/09/85/48/1080098548.db2.gz ONIRJAGEGMKCCN-AEFFLSMTSA-N 1 2 418.563 2.351 20 0 HEADLO CC(C)(C)OC(=O)NCCOCC(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000785610938 1080114179 /nfs/dbraw/zinc/11/41/79/1080114179.db2.gz XNIQGNIEJUGWHY-UHFFFAOYSA-N 1 2 411.930 2.356 20 0 HEADLO CC(C)(C)OC(=O)NCCOCC(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000785610938 1080114181 /nfs/dbraw/zinc/11/41/81/1080114181.db2.gz XNIQGNIEJUGWHY-UHFFFAOYSA-N 1 2 411.930 2.356 20 0 HEADLO CCC[C@@H]1CN(S(=O)(=O)c2ccc(C3(C)OCCO3)cc2)CC[N@@H+]1CCOC ZINC000767831717 1080147555 /nfs/dbraw/zinc/14/75/55/1080147555.db2.gz RSJQAUSCYCARPH-GOSISDBHSA-N 1 2 412.552 2.028 20 0 HEADLO CCC[C@@H]1CN(S(=O)(=O)c2ccc(C3(C)OCCO3)cc2)CC[N@H+]1CCOC ZINC000767831717 1080147566 /nfs/dbraw/zinc/14/75/66/1080147566.db2.gz RSJQAUSCYCARPH-GOSISDBHSA-N 1 2 412.552 2.028 20 0 HEADLO COCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[NH2+][C@H](c2cccc(OC)c2)C1 ZINC001169976637 1080174276 /nfs/dbraw/zinc/17/42/76/1080174276.db2.gz WLTRFOBTCNLSSH-ROUUACIJSA-N 1 2 407.511 2.098 20 0 HEADLO C[C@@H](OC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ncc(-c2ccccc2)o1 ZINC000785657428 1080176343 /nfs/dbraw/zinc/17/63/43/1080176343.db2.gz GKJSYTFKSAUALB-AEFFLSMTSA-N 1 2 413.474 2.127 20 0 HEADLO C[C@@H](OC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ncc(-c2ccccc2)o1 ZINC000785657432 1080176601 /nfs/dbraw/zinc/17/66/01/1080176601.db2.gz GKJSYTFKSAUALB-SJLPKXTDSA-N 1 2 413.474 2.127 20 0 HEADLO O=C(OCc1c(Cl)cccc1Cl)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000785656457 1080178075 /nfs/dbraw/zinc/17/80/75/1080178075.db2.gz WJMOPBODCWMTDW-CYBMUJFWSA-N 1 2 401.290 2.217 20 0 HEADLO COc1ccccc1C[NH+]1CCN(C(=O)C[C@H](CNC(=O)OC(C)(C)C)OC)CC1 ZINC000767857794 1080181724 /nfs/dbraw/zinc/18/17/24/1080181724.db2.gz NEXCWSOUPRNYJZ-GOSISDBHSA-N 1 2 421.538 2.269 20 0 HEADLO Cc1cc(OCCOC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)ccc1C(C)C ZINC000785661165 1080182597 /nfs/dbraw/zinc/18/25/97/1080182597.db2.gz SYKSQWJNQHDLJR-IBGZPJMESA-N 1 2 418.534 2.221 20 0 HEADLO C[C@@H](Oc1cccc2ccccc21)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000767898176 1080220617 /nfs/dbraw/zinc/22/06/17/1080220617.db2.gz MPHOCONPMRAPIE-MRXNPFEDSA-N 1 2 404.532 2.232 20 0 HEADLO Cc1cccc([C@@H](O)CNC(=O)NCc2ccccc2OCC[NH+]2CCOCC2)c1 ZINC000767937316 1080231246 /nfs/dbraw/zinc/23/12/46/1080231246.db2.gz BBKWNPCCLRWWEG-NRFANRHFSA-N 1 2 413.518 2.239 20 0 HEADLO CCS(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)c1 ZINC000785816538 1080256143 /nfs/dbraw/zinc/25/61/43/1080256143.db2.gz QBZUVVHAOOQGJX-AWEZNQCLSA-N 1 2 414.955 2.459 20 0 HEADLO CCS(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[N@H+](C3CCOCC3)C[C@@H]2C)c1 ZINC000785816538 1080256149 /nfs/dbraw/zinc/25/61/49/1080256149.db2.gz QBZUVVHAOOQGJX-AWEZNQCLSA-N 1 2 414.955 2.459 20 0 HEADLO COc1ccc2cc(CNC(=O)C(=O)N[C@H]3CCN(c4cccc[nH+]4)C3)ccc2c1 ZINC000785886055 1080276416 /nfs/dbraw/zinc/27/64/16/1080276416.db2.gz DKWOEZMMGLOWSJ-IBGZPJMESA-N 1 2 404.470 2.255 20 0 HEADLO CC[C@@]1(C)Oc2ccc(NC(=O)NC3CC[NH+](CCS(C)(=O)=O)CC3)cc2O1 ZINC000785869350 1080289512 /nfs/dbraw/zinc/28/95/12/1080289512.db2.gz RIWCJAHTQXNXLU-IBGZPJMESA-N 1 2 411.524 2.215 20 0 HEADLO CC(=O)Nc1ccc2c(C[N@@H+]3CCN4C(=O)N(CC(C)C)C[C@H]4C3)cc(=O)oc2c1 ZINC000785871493 1080291169 /nfs/dbraw/zinc/29/11/69/1080291169.db2.gz SLGWZUCTKSTHKD-GOSISDBHSA-N 1 2 412.490 2.329 20 0 HEADLO CC(=O)Nc1ccc2c(C[N@H+]3CCN4C(=O)N(CC(C)C)C[C@H]4C3)cc(=O)oc2c1 ZINC000785871493 1080291174 /nfs/dbraw/zinc/29/11/74/1080291174.db2.gz SLGWZUCTKSTHKD-GOSISDBHSA-N 1 2 412.490 2.329 20 0 HEADLO O=C(NCC[N@@H+]1CCc2c(Cl)cccc2C1)N[C@@H](CO)C[C@@H](O)c1ccccc1 ZINC000785944345 1080310241 /nfs/dbraw/zinc/31/02/41/1080310241.db2.gz ATSFGZDOWBAJSH-WIYYLYMNSA-N 1 2 417.937 2.482 20 0 HEADLO O=C(NCC[N@H+]1CCc2c(Cl)cccc2C1)N[C@@H](CO)C[C@@H](O)c1ccccc1 ZINC000785944345 1080310256 /nfs/dbraw/zinc/31/02/56/1080310256.db2.gz ATSFGZDOWBAJSH-WIYYLYMNSA-N 1 2 417.937 2.482 20 0 HEADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@](C)(NC(=O)OC(C)(C)C)c1ccccc1 ZINC000768122487 1080337314 /nfs/dbraw/zinc/33/73/14/1080337314.db2.gz WYJPTBLXPIANPR-HRAATJIYSA-N 1 2 416.478 2.050 20 0 HEADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@](C)(NC(=O)OC(C)(C)C)c1ccccc1 ZINC000768122487 1080337322 /nfs/dbraw/zinc/33/73/22/1080337322.db2.gz WYJPTBLXPIANPR-HRAATJIYSA-N 1 2 416.478 2.050 20 0 HEADLO CC(=O)N1CCC([NH+]2CCN(S(=O)(=O)c3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000768157522 1080376364 /nfs/dbraw/zinc/37/63/64/1080376364.db2.gz YLRMOZQMRHPSSN-UHFFFAOYSA-N 1 2 420.362 2.311 20 0 HEADLO CC(=O)N1CCC([NH+]2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)CC1 ZINC000768157232 1080377081 /nfs/dbraw/zinc/37/70/81/1080377081.db2.gz VWTABMNSNCZXDD-UHFFFAOYSA-N 1 2 419.469 2.023 20 0 HEADLO CC[N@H+](CC(=O)Nc1ccc(N2CCOCC2)cc1)Cc1c[nH]c(C(=O)OC)c1 ZINC000768162375 1080379231 /nfs/dbraw/zinc/37/92/31/1080379231.db2.gz CZDJHVXJKSEJRX-UHFFFAOYSA-N 1 2 400.479 2.099 20 0 HEADLO CC[N@@H+](CC(=O)Nc1ccc(N2CCOCC2)cc1)Cc1c[nH]c(C(=O)OC)c1 ZINC000768162375 1080379238 /nfs/dbraw/zinc/37/92/38/1080379238.db2.gz CZDJHVXJKSEJRX-UHFFFAOYSA-N 1 2 400.479 2.099 20 0 HEADLO CCC[N@H+](Cc1cc2ccccc2nc1N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000768182410 1080400793 /nfs/dbraw/zinc/40/07/93/1080400793.db2.gz ZZRXWWLYTARXCC-LJQANCHMSA-N 1 2 403.548 2.471 20 0 HEADLO CCC[N@@H+](Cc1cc2ccccc2nc1N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000768182410 1080400802 /nfs/dbraw/zinc/40/08/02/1080400802.db2.gz ZZRXWWLYTARXCC-LJQANCHMSA-N 1 2 403.548 2.471 20 0 HEADLO O=C(Nc1cnc(Cl)c(Br)c1)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000768188201 1080404269 /nfs/dbraw/zinc/40/42/69/1080404269.db2.gz RPSWNZKHIGKIRE-NSHDSACASA-N 1 2 412.675 2.496 20 0 HEADLO CN(CCCn1cc[nH+]c1)C(=O)CCc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1 ZINC000768324224 1080486454 /nfs/dbraw/zinc/48/64/54/1080486454.db2.gz LVHIBMJOEKXEGI-UHFFFAOYSA-N 1 2 405.462 2.199 20 0 HEADLO COC(=O)CCc1cccc(NC(=O)C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)c1 ZINC000786293305 1080538780 /nfs/dbraw/zinc/53/87/80/1080538780.db2.gz WFZMFZHQPYRLLH-UHFFFAOYSA-N 1 2 424.432 2.372 20 0 HEADLO CCc1ccc([C@]2(CC)NC(=O)N(C[NH+]3CCC(OCCOC)CC3)C2=O)cc1 ZINC000768484010 1080577556 /nfs/dbraw/zinc/57/75/56/1080577556.db2.gz NFXAVBVXNBEMEL-QFIPXVFZSA-N 1 2 403.523 2.491 20 0 HEADLO CCc1ccc([C@@]2(CC)NC(=O)N(C[NH+]3CCC(N4CCCC4=O)CC3)C2=O)cc1 ZINC000768485257 1080577937 /nfs/dbraw/zinc/57/79/37/1080577937.db2.gz SXGOMYIDNAPBNV-HSZRJFAPSA-N 1 2 412.534 2.450 20 0 HEADLO CN(C)C(=O)c1cccc(NC(=O)N2CC[N@H+](C)C[C@@H]2CNC(=O)OC(C)(C)C)c1 ZINC000768495890 1080592070 /nfs/dbraw/zinc/59/20/70/1080592070.db2.gz DENNKTLYRQFFBB-KRWDZBQOSA-N 1 2 419.526 2.061 20 0 HEADLO CN(C)C(=O)c1cccc(NC(=O)N2CC[N@@H+](C)C[C@@H]2CNC(=O)OC(C)(C)C)c1 ZINC000768495890 1080592078 /nfs/dbraw/zinc/59/20/78/1080592078.db2.gz DENNKTLYRQFFBB-KRWDZBQOSA-N 1 2 419.526 2.061 20 0 HEADLO C[N@@H+]1CCN(C(=O)Nc2cccnc2N2CCCC2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000768497252 1080592840 /nfs/dbraw/zinc/59/28/40/1080592840.db2.gz IQHJGTFHRMXTFB-INIZCTEOSA-N 1 2 418.542 2.354 20 0 HEADLO C[N@H+]1CCN(C(=O)Nc2cccnc2N2CCCC2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000768497252 1080592846 /nfs/dbraw/zinc/59/28/46/1080592846.db2.gz IQHJGTFHRMXTFB-INIZCTEOSA-N 1 2 418.542 2.354 20 0 HEADLO CCc1ccc([C@]2(CC)NC(=O)N(CN3CCC[C@@H]3C[NH+]3CCOCC3)C2=O)cc1 ZINC000768493907 1080605461 /nfs/dbraw/zinc/60/54/61/1080605461.db2.gz LKARGAPCARTOQN-OFNKIYASSA-N 1 2 414.550 2.160 20 0 HEADLO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCCN1Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000768542853 1080619358 /nfs/dbraw/zinc/61/93/58/1080619358.db2.gz HVWYYLAALNUXON-PKOBYXMFSA-N 1 2 418.586 2.496 20 0 HEADLO O=C(COC(=O)CSCC(F)(F)F)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000786462690 1080642770 /nfs/dbraw/zinc/64/27/70/1080642770.db2.gz QBDWANYJAQMBHO-UHFFFAOYSA-N 1 2 406.426 2.296 20 0 HEADLO C[C@](O)(CCNC(=O)C(=O)NCc1cc[nH+]c(N2CCCCC2)c1)c1ccccc1 ZINC000786468140 1080645680 /nfs/dbraw/zinc/64/56/80/1080645680.db2.gz QVUNDJNPXIZWFO-QHCPKHFHSA-N 1 2 410.518 2.102 20 0 HEADLO Cc1ccc(N2CCC[C@H](NC(=O)C(=O)NCc3cc[nH+]c(N4CCCC4)c3)C2)cc1 ZINC000786503614 1080661669 /nfs/dbraw/zinc/66/16/69/1080661669.db2.gz HBFLXAXBEXRTQS-FQEVSTJZSA-N 1 2 421.545 2.392 20 0 HEADLO Cc1cc(N2CCN(C(=O)COC(=O)Cc3ccc(O)cc3)CC2)nc(C(C)C)[nH+]1 ZINC000768606963 1080680163 /nfs/dbraw/zinc/68/01/63/1080680163.db2.gz YFAGVZXWBWEXIR-UHFFFAOYSA-N 1 2 412.490 2.049 20 0 HEADLO COC(=O)c1ccc(C(=O)OCC(=O)N2CC[NH+](Cc3ccsc3)CC2)cc1F ZINC000768679916 1080699416 /nfs/dbraw/zinc/69/94/16/1080699416.db2.gz LNVYAWPIVRVXIW-UHFFFAOYSA-N 1 2 420.462 2.175 20 0 HEADLO CCNc1nc(C(=O)OCC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)cs1 ZINC000768661958 1080704896 /nfs/dbraw/zinc/70/48/96/1080704896.db2.gz YBYFRKLUGVKAFL-UHFFFAOYSA-N 1 2 404.492 2.203 20 0 HEADLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)CN1C(=O)c2ccccc2N2C(=O)CC[C@@]21C ZINC000746593322 1080707883 /nfs/dbraw/zinc/70/78/83/1080707883.db2.gz FGSPZGWOOFSOGG-WZONZLPQSA-N 1 2 423.517 2.413 20 0 HEADLO COc1cc2c(cc1OC)C[N@H+](CC(=O)N(C)CCN(C)C(=O)OC(C)(C)C)CC2 ZINC000768732970 1080759558 /nfs/dbraw/zinc/75/95/58/1080759558.db2.gz QYNFQVYHJFZCGV-UHFFFAOYSA-N 1 2 421.538 2.387 20 0 HEADLO COc1cc2c(cc1OC)C[N@@H+](CC(=O)N(C)CCN(C)C(=O)OC(C)(C)C)CC2 ZINC000768732970 1080759566 /nfs/dbraw/zinc/75/95/66/1080759566.db2.gz QYNFQVYHJFZCGV-UHFFFAOYSA-N 1 2 421.538 2.387 20 0 HEADLO CN(CC[N@H+](C)CC(=O)NCc1ccc(N2CCCC2=O)cc1)C(=O)OC(C)(C)C ZINC000768743181 1080766760 /nfs/dbraw/zinc/76/67/60/1080766760.db2.gz GXTUDCBUGHCJOH-UHFFFAOYSA-N 1 2 418.538 2.228 20 0 HEADLO CN(CC[N@@H+](C)CC(=O)NCc1ccc(N2CCCC2=O)cc1)C(=O)OC(C)(C)C ZINC000768743181 1080766766 /nfs/dbraw/zinc/76/67/66/1080766766.db2.gz GXTUDCBUGHCJOH-UHFFFAOYSA-N 1 2 418.538 2.228 20 0 HEADLO CN(CCN(C)C(=O)OC(C)(C)C)CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000768743577 1080768005 /nfs/dbraw/zinc/76/80/05/1080768005.db2.gz DZGLZNCOCZNIBX-UHFFFAOYSA-N 1 2 420.554 2.256 20 0 HEADLO Cn1ncc2c1nc[nH+]c2N1CCN(S(=O)(=O)/C=C\c2cccc(Cl)c2)CC1 ZINC000768803617 1080779817 /nfs/dbraw/zinc/77/98/17/1080779817.db2.gz LZEGUZUXBLKDTO-YHYXMXQVSA-N 1 2 418.910 2.139 20 0 HEADLO CC(C)Nc1nc(N2CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)nc(NCCO)[nH+]1 ZINC000786799598 1080833497 /nfs/dbraw/zinc/83/34/97/1080833497.db2.gz GMXQSVHURAEWHR-HUUCEWRRSA-N 1 2 423.562 2.226 20 0 HEADLO CC(C)Oc1cccc(CNC(=O)C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000786823537 1080845825 /nfs/dbraw/zinc/84/58/25/1080845825.db2.gz KMPHMLQCIFTJKT-UHFFFAOYSA-N 1 2 424.545 2.028 20 0 HEADLO O=c1n(Cc2ccccc2)c2ccncc2n1C[N@@H+]1CCOC2(CCOCC2)CC1 ZINC000768913998 1080854766 /nfs/dbraw/zinc/85/47/66/1080854766.db2.gz VAQMNXCQLNIKFW-UHFFFAOYSA-N 1 2 408.502 2.475 20 0 HEADLO O=c1n(Cc2ccccc2)c2ccncc2n1C[N@H+]1CCOC2(CCOCC2)CC1 ZINC000768913998 1080854768 /nfs/dbraw/zinc/85/47/68/1080854768.db2.gz VAQMNXCQLNIKFW-UHFFFAOYSA-N 1 2 408.502 2.475 20 0 HEADLO Cn1ccnc1C[NH+]1CCC(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2(C)C)CC1 ZINC000746611861 1080858965 /nfs/dbraw/zinc/85/89/65/1080858965.db2.gz LFTDFJOTSDJDEZ-UHFFFAOYSA-N 1 2 419.570 2.490 20 0 HEADLO CC[C@@H]1CCO[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N(C)Cc1ccc(C)o1 ZINC001109419473 1080891123 /nfs/dbraw/zinc/89/11/23/1080891123.db2.gz RJSVGMQCUCEEKQ-WVIPNLKRSA-N 1 2 403.523 2.083 20 0 HEADLO CC[C@@H]1CCO[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N(C)Cc1ccc(C)o1 ZINC001109419473 1080891124 /nfs/dbraw/zinc/89/11/24/1080891124.db2.gz RJSVGMQCUCEEKQ-WVIPNLKRSA-N 1 2 403.523 2.083 20 0 HEADLO O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)OCc1coc(-c2ccccc2)n1 ZINC000786996731 1080907068 /nfs/dbraw/zinc/90/70/68/1080907068.db2.gz GPRNKBQNBGRCCN-LJQANCHMSA-N 1 2 413.474 2.098 20 0 HEADLO CC(C)(C)Oc1cccc(COC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)n1 ZINC000786998993 1080911630 /nfs/dbraw/zinc/91/16/30/1080911630.db2.gz MADRHIMRCISFGV-GOSISDBHSA-N 1 2 419.522 2.015 20 0 HEADLO O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)OCc1csc(-c2ccoc2)n1 ZINC000787000822 1080913662 /nfs/dbraw/zinc/91/36/62/1080913662.db2.gz QWUFEGJXRHLNOC-KRWDZBQOSA-N 1 2 419.503 2.160 20 0 HEADLO O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)OC[C@@H]1CCc2ccccc2C1 ZINC000787000145 1080913702 /nfs/dbraw/zinc/91/37/02/1080913702.db2.gz VVAQORUNQKMXMM-NQIIRXRSSA-N 1 2 400.519 2.048 20 0 HEADLO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)c2cc(Br)cnc2Cl)CC1 ZINC000746621558 1080944683 /nfs/dbraw/zinc/94/46/83/1080944683.db2.gz YNDGQKQEGKHKQU-JTQLQIEISA-N 1 2 404.692 2.207 20 0 HEADLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)[C@H]1c2ccccc2CCN1C(=O)OC(C)(C)C ZINC000769190825 1080964387 /nfs/dbraw/zinc/96/43/87/1080964387.db2.gz ZMNKCNDMUDXXEQ-YLJYHZDGSA-N 1 2 416.566 2.273 20 0 HEADLO COc1nc(C)cc(C)c1CNC(=O)C[NH+]1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000769173552 1080988461 /nfs/dbraw/zinc/98/84/61/1080988461.db2.gz QPSFLAONUCLMHS-UHFFFAOYSA-N 1 2 406.527 2.312 20 0 HEADLO Cn1nc(Br)cc1CN1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000787062598 1081002162 /nfs/dbraw/zinc/00/21/62/1081002162.db2.gz FKNWECAJNUJFTH-UHFFFAOYSA-N 1 2 407.312 2.272 20 0 HEADLO CCNS(=O)(=O)c1ccc(F)c(C(=O)NCCc2cn3cccc(C)c3[nH+]2)c1 ZINC000746641273 1081021108 /nfs/dbraw/zinc/02/11/08/1081021108.db2.gz TVLOQNJJQBQUJQ-UHFFFAOYSA-N 1 2 404.467 2.053 20 0 HEADLO COc1cccc(CCNC(=O)C(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)c1 ZINC000787145706 1081027866 /nfs/dbraw/zinc/02/78/66/1081027866.db2.gz YSHCRQJEMCZWBC-UHFFFAOYSA-N 1 2 424.545 2.205 20 0 HEADLO C[C@@H](c1cccnc1)N1C(=O)C[C@@H]([N@@H+]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)C1=O ZINC000787163420 1081040549 /nfs/dbraw/zinc/04/05/49/1081040549.db2.gz QCBKKRAFBAVAMS-USXIJHARSA-N 1 2 402.495 2.259 20 0 HEADLO C[C@@H](c1cccnc1)N1C(=O)C[C@@H]([N@H+]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)C1=O ZINC000787163420 1081040556 /nfs/dbraw/zinc/04/05/56/1081040556.db2.gz QCBKKRAFBAVAMS-USXIJHARSA-N 1 2 402.495 2.259 20 0 HEADLO C[N@H+](CCN1CCN(C(=O)OC(C)(C)C)CC1)Cc1ccc(S(C)(=O)=O)cc1 ZINC000769330273 1081044394 /nfs/dbraw/zinc/04/43/94/1081044394.db2.gz CNSKKRJMOQEJLB-UHFFFAOYSA-N 1 2 411.568 2.075 20 0 HEADLO C[N@@H+](CCN1CCN(C(=O)OC(C)(C)C)CC1)Cc1ccc(S(C)(=O)=O)cc1 ZINC000769330273 1081044407 /nfs/dbraw/zinc/04/44/07/1081044407.db2.gz CNSKKRJMOQEJLB-UHFFFAOYSA-N 1 2 411.568 2.075 20 0 HEADLO C[C@@H]1CCCN(Cc2cnc(N3CC[NH+](C)CC3)nc2)[C@@H]1CNC(=O)OC(C)(C)C ZINC000769427276 1081070395 /nfs/dbraw/zinc/07/03/95/1081070395.db2.gz XECKNDPMZNNIQG-IEBWSBKVSA-N 1 2 418.586 2.354 20 0 HEADLO COC(=O)[C@H]1CC[N@H+](Cn2c3cc(S(=O)(=O)N(C)C)ccc3oc2=S)[C@H]1C ZINC000787240806 1081086628 /nfs/dbraw/zinc/08/66/28/1081086628.db2.gz REJOURHWLJIAGQ-AAEUAGOBSA-N 1 2 413.521 2.055 20 0 HEADLO COC(=O)[C@H]1CC[N@@H+](Cn2c3cc(S(=O)(=O)N(C)C)ccc3oc2=S)[C@H]1C ZINC000787240806 1081086636 /nfs/dbraw/zinc/08/66/36/1081086636.db2.gz REJOURHWLJIAGQ-AAEUAGOBSA-N 1 2 413.521 2.055 20 0 HEADLO COc1ccc(CNC(=O)C(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)cc1OC(F)F ZINC000787298125 1081099173 /nfs/dbraw/zinc/09/91/73/1081099173.db2.gz JPCPPULKACSNPW-CQSZACIVSA-N 1 2 422.432 2.053 20 0 HEADLO COC(=O)c1cccc(NC(=O)C[N@@H+]2CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)n1 ZINC000787265458 1081099712 /nfs/dbraw/zinc/09/97/12/1081099712.db2.gz VZTYQWKICUMZRA-UONOGXRCSA-N 1 2 406.483 2.042 20 0 HEADLO COC(=O)c1cccc(NC(=O)C[N@H+]2CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)n1 ZINC000787265458 1081099718 /nfs/dbraw/zinc/09/97/18/1081099718.db2.gz VZTYQWKICUMZRA-UONOGXRCSA-N 1 2 406.483 2.042 20 0 HEADLO CC(C)[N@H+](CCS(C)(=O)=O)Cc1ccc(OCCN2CCOCC2)c(Cl)c1 ZINC000769506618 1081100351 /nfs/dbraw/zinc/10/03/51/1081100351.db2.gz ZQWIQFUFWAJDRI-UHFFFAOYSA-N 1 2 418.987 2.306 20 0 HEADLO CC(C)[N@@H+](CCS(C)(=O)=O)Cc1ccc(OCCN2CCOCC2)c(Cl)c1 ZINC000769506618 1081100353 /nfs/dbraw/zinc/10/03/53/1081100353.db2.gz ZQWIQFUFWAJDRI-UHFFFAOYSA-N 1 2 418.987 2.306 20 0 HEADLO COc1ccccc1NC(=O)CN1CC[NH+]([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000769527406 1081109517 /nfs/dbraw/zinc/10/95/17/1081109517.db2.gz GKBVWCYCFRKWQG-QGZVFWFLSA-N 1 2 418.538 2.261 20 0 HEADLO CCn1nnc2c1[C@@H](COC)CN(c1ncnc3c1C[N@H+](Cc1ccccc1)CC3)C2 ZINC001164665105 719360680 /nfs/dbraw/zinc/36/06/80/719360680.db2.gz VNAJTKSNCHTEHQ-GOSISDBHSA-N 1 2 419.533 2.397 20 0 HEADLO CCn1nnc2c1[C@@H](COC)CN(c1ncnc3c1C[N@@H+](Cc1ccccc1)CC3)C2 ZINC001164665105 719360681 /nfs/dbraw/zinc/36/06/81/719360681.db2.gz VNAJTKSNCHTEHQ-GOSISDBHSA-N 1 2 419.533 2.397 20 0 HEADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc(Cl)nc(SC)n1 ZINC001164699902 719839278 /nfs/dbraw/zinc/83/92/78/719839278.db2.gz ISRUPFMREYVGNA-PXAZEXFGSA-N 1 2 400.932 2.085 20 0 HEADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(Cl)nc2c1CSC2 ZINC001164697202 719848130 /nfs/dbraw/zinc/84/81/30/719848130.db2.gz BPYBXNFMGAAPJF-SGTLLEGYSA-N 1 2 412.943 2.110 20 0 HEADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc(-c2cccs2)nn1 ZINC001164701513 719860288 /nfs/dbraw/zinc/86/02/88/719860288.db2.gz LADDNYQKFOECDI-FOIQADDNSA-N 1 2 402.520 2.438 20 0 HEADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(Cl)cnc1SC ZINC001164708171 719865872 /nfs/dbraw/zinc/86/58/72/719865872.db2.gz XXLOYVPBUZUWHY-SJCJKPOMSA-N 1 2 400.932 2.085 20 0 HEADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc2c(nc1Cl)CCCC2 ZINC001164702246 719879103 /nfs/dbraw/zinc/87/91/03/719879103.db2.gz PRLAQTWHTXNYFP-VLIAUNLRSA-N 1 2 408.930 2.242 20 0 HEADLO CCCSc1ncnc(N2CC[C@H]([NH+]3CCOCC3)C[C@@]2(C)C(=O)OC)c1OC ZINC001164702792 719879159 /nfs/dbraw/zinc/87/91/59/719879159.db2.gz QFXYDQRGYCRZDB-YWZLYKJASA-N 1 2 424.567 2.220 20 0 HEADLO CSc1cc(Cl)ncc1N1CCc2c(C(=O)N3CC[NH+](C)CC3)nn(C)c2C1 ZINC001164709449 719902209 /nfs/dbraw/zinc/90/22/09/719902209.db2.gz VAQRIOJOLWFJGG-UHFFFAOYSA-N 1 2 420.970 2.141 20 0 HEADLO Cc1cccc2ccc(N3CCc4c(C(=O)N5CC[NH+](C)CC5)nn(C)c4C3)nc12 ZINC001164703829 719930990 /nfs/dbraw/zinc/93/09/90/719930990.db2.gz NGWBURGUHOSYFS-UHFFFAOYSA-N 1 2 404.518 2.227 20 0 HEADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)c3ccnc(Cl)c3F)C2)C1 ZINC001164717261 720217403 /nfs/dbraw/zinc/21/74/03/720217403.db2.gz HMEMFBVBWLXEIS-QGZVFWFLSA-N 1 2 420.863 2.084 20 0 HEADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)c3ccnc(Cl)c3F)C2)C1 ZINC001164717261 720217408 /nfs/dbraw/zinc/21/74/08/720217408.db2.gz HMEMFBVBWLXEIS-QGZVFWFLSA-N 1 2 420.863 2.084 20 0 HEADLO Cc1nc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)ccc1Cl ZINC001164822462 720445864 /nfs/dbraw/zinc/44/58/64/720445864.db2.gz FKSFZPAEWXBPDM-MRXNPFEDSA-N 1 2 405.930 2.230 20 0 HEADLO Cc1cc2c(ccnc2N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)o1 ZINC001164830848 720473308 /nfs/dbraw/zinc/47/33/08/720473308.db2.gz MSBNHSAHMKJCMC-QGZVFWFLSA-N 1 2 411.506 2.322 20 0 HEADLO CCOC(=O)c1cnc(SC)nc1N1CCCn2c(C[N@H+](C)C(C)C)nnc2C1 ZINC001165007110 721694410 /nfs/dbraw/zinc/69/44/10/721694410.db2.gz AQPCHWZQIGZKEH-UHFFFAOYSA-N 1 2 419.555 2.217 20 0 HEADLO CCOC(=O)c1cnc(SC)nc1N1CCCn2c(C[N@@H+](C)C(C)C)nnc2C1 ZINC001165007110 721694419 /nfs/dbraw/zinc/69/44/19/721694419.db2.gz AQPCHWZQIGZKEH-UHFFFAOYSA-N 1 2 419.555 2.217 20 0 HEADLO COc1ccc2cnc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)nc2c1 ZINC001164913356 721776943 /nfs/dbraw/zinc/77/69/43/721776943.db2.gz XHUBWUIUNJNFCB-HSZRJFAPSA-N 1 2 421.501 2.141 20 0 HEADLO COc1ccc2cnc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)nc2c1 ZINC001164913356 721776944 /nfs/dbraw/zinc/77/69/44/721776944.db2.gz XHUBWUIUNJNFCB-HSZRJFAPSA-N 1 2 421.501 2.141 20 0 HEADLO Fc1ccc2ncc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)nc2c1 ZINC001164912338 721779692 /nfs/dbraw/zinc/77/96/92/721779692.db2.gz KMMOKILQQRPJFG-JOCHJYFZSA-N 1 2 409.465 2.272 20 0 HEADLO Fc1ccc2ncc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)nc2c1 ZINC001164912338 721779694 /nfs/dbraw/zinc/77/96/94/721779694.db2.gz KMMOKILQQRPJFG-JOCHJYFZSA-N 1 2 409.465 2.272 20 0 HEADLO COc1cc(Cl)cc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164917557 721780585 /nfs/dbraw/zinc/78/05/85/721780585.db2.gz YBSWRMYZFXXERM-FQEVSTJZSA-N 1 2 404.898 2.246 20 0 HEADLO COc1cc(Cl)cc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164917557 721780588 /nfs/dbraw/zinc/78/05/88/721780588.db2.gz YBSWRMYZFXXERM-FQEVSTJZSA-N 1 2 404.898 2.246 20 0 HEADLO COc1ccnc(Cl)c1N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164915603 721798633 /nfs/dbraw/zinc/79/86/33/721798633.db2.gz WZKCBHOZLWQWEI-HXUWFJFHSA-N 1 2 404.898 2.246 20 0 HEADLO COc1ccnc(Cl)c1N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164915603 721798636 /nfs/dbraw/zinc/79/86/36/721798636.db2.gz WZKCBHOZLWQWEI-HXUWFJFHSA-N 1 2 404.898 2.246 20 0 HEADLO CCOC(=O)c1cc(Cl)nnc1N1CCC2(CC1)c1[nH+]cc(C)n1CCN2C ZINC001164917454 721813804 /nfs/dbraw/zinc/81/38/04/721813804.db2.gz NSYVLTHHLXVUKH-UHFFFAOYSA-N 1 2 404.902 2.253 20 0 HEADLO COC(=O)c1cc(C)nc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)c1 ZINC001164949950 721969374 /nfs/dbraw/zinc/96/93/74/721969374.db2.gz ZMEVNWMMDLPDQF-UHFFFAOYSA-N 1 2 408.502 2.148 20 0 HEADLO COC(=O)c1cc(C)nc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)c1 ZINC001164949950 721969377 /nfs/dbraw/zinc/96/93/77/721969377.db2.gz ZMEVNWMMDLPDQF-UHFFFAOYSA-N 1 2 408.502 2.148 20 0 HEADLO CCOC(=O)Cc1ccc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)nc1 ZINC001164946817 721974351 /nfs/dbraw/zinc/97/43/51/721974351.db2.gz LHUQOIGZERHFTB-UHFFFAOYSA-N 1 2 422.529 2.158 20 0 HEADLO CCOC(=O)Cc1ccc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)nc1 ZINC001164946817 721974352 /nfs/dbraw/zinc/97/43/52/721974352.db2.gz LHUQOIGZERHFTB-UHFFFAOYSA-N 1 2 422.529 2.158 20 0 HEADLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1ncc(OC(F)F)cn1)CC2 ZINC001164947599 721975425 /nfs/dbraw/zinc/97/54/25/721975425.db2.gz PPJNCOHIUVJZQQ-UHFFFAOYSA-N 1 2 403.433 2.049 20 0 HEADLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1ncc(OC(F)F)cn1)CC2 ZINC001164947599 721975429 /nfs/dbraw/zinc/97/54/29/721975429.db2.gz PPJNCOHIUVJZQQ-UHFFFAOYSA-N 1 2 403.433 2.049 20 0 HEADLO O=C(CCS(=O)(=O)NCC1([NH+]2CCOCC2)CCCCC1)OCc1ccccc1 ZINC000769751862 1078539764 /nfs/dbraw/zinc/53/97/64/1078539764.db2.gz IAHADYLQHRHVIE-UHFFFAOYSA-N 1 2 424.563 2.074 20 0 HEADLO C[C@@H](NC(=O)c1cc(NC(=O)OCC(F)(F)F)ccc1O)[C@H](C)[NH+]1CCOCC1 ZINC000769776149 1078551454 /nfs/dbraw/zinc/55/14/54/1078551454.db2.gz FAJWXSSPRDPTBE-NEPJUHHUSA-N 1 2 419.400 2.342 20 0 HEADLO COc1cc(C)c(C[NH+]2CCN(C(=O)COC(=O)/C=C/C3CC3)CC2)cc1OC ZINC000745550882 1078545149 /nfs/dbraw/zinc/54/51/49/1078545149.db2.gz IGRASBRAZOHEQJ-VOTSOKGWSA-N 1 2 402.491 2.166 20 0 HEADLO CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000769770383 1078547911 /nfs/dbraw/zinc/54/79/11/1078547911.db2.gz KNKJDZAAYGNJPC-CYBMUJFWSA-N 1 2 410.927 2.344 20 0 HEADLO CCCc1nc2ccccc2n1CCC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000769800316 1078569472 /nfs/dbraw/zinc/56/94/72/1078569472.db2.gz DHJXPYQLJZKLAI-UHFFFAOYSA-N 1 2 420.579 2.004 20 0 HEADLO Cc1ccc([C@@H](C)[C@H](O)C(=O)OCC(=O)N2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000745746964 1078634201 /nfs/dbraw/zinc/63/42/01/1078634201.db2.gz DEBPQRUVUDETGJ-UTKZUKDTSA-N 1 2 416.543 2.409 20 0 HEADLO CC[C@H](c1ccc(F)cc1F)N1CCN(C(=O)NCC[N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000745791848 1078649501 /nfs/dbraw/zinc/64/95/01/1078649501.db2.gz NAWUFJPSMHYDQF-OXJNMPFZSA-N 1 2 410.509 2.464 20 0 HEADLO CC[C@H](c1ccc(F)cc1F)N1CCN(C(=O)NCC[N@H+]2CCO[C@@H](C)C2)CC1 ZINC000745791848 1078649503 /nfs/dbraw/zinc/64/95/03/1078649503.db2.gz NAWUFJPSMHYDQF-OXJNMPFZSA-N 1 2 410.509 2.464 20 0 HEADLO CCC(CC)(CNC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1)NC(=O)OC(C)(C)C ZINC000745806076 1078654608 /nfs/dbraw/zinc/65/46/08/1078654608.db2.gz CFVVPNMAKACKEK-HOTGVXAUSA-N 1 2 400.564 2.478 20 0 HEADLO O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)N1CCC2(CCCC2)C1 ZINC000745817485 1078658797 /nfs/dbraw/zinc/65/87/97/1078658797.db2.gz ZVMUKCBKLZFDLM-GOSISDBHSA-N 1 2 414.554 2.258 20 0 HEADLO O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)N1CCC2(CCCC2)C1 ZINC000745817485 1078658798 /nfs/dbraw/zinc/65/87/98/1078658798.db2.gz ZVMUKCBKLZFDLM-GOSISDBHSA-N 1 2 414.554 2.258 20 0 HEADLO O=C(Nc1ccc(O)c(C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)c1)OCC(F)(F)F ZINC000769983526 1078673258 /nfs/dbraw/zinc/67/32/58/1078673258.db2.gz LQNCOPJCRINXPA-CYBMUJFWSA-N 1 2 417.384 2.050 20 0 HEADLO CC(C)(C)OC(=O)NC[C@H](NC(=O)NCC(C)(C)[NH+]1CCOCC1)C1CCCC1 ZINC000770090896 1078716078 /nfs/dbraw/zinc/71/60/78/1078716078.db2.gz STEUZTAWHYDXDN-KRWDZBQOSA-N 1 2 412.575 2.480 20 0 HEADLO Cc1oc(NC(=O)C[N@@H+](C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c2c1c(C)n[nH]c2=O ZINC000745991080 1078723017 /nfs/dbraw/zinc/72/30/17/1078723017.db2.gz LUVOKQBFGRHJNL-CYBMUJFWSA-N 1 2 419.482 2.425 20 0 HEADLO Cc1oc(NC(=O)C[N@H+](C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c2c1c(C)n[nH]c2=O ZINC000745991080 1078723022 /nfs/dbraw/zinc/72/30/22/1078723022.db2.gz LUVOKQBFGRHJNL-CYBMUJFWSA-N 1 2 419.482 2.425 20 0 HEADLO C[N@H+](CC(=O)Nc1cccc(C(=O)NC2CC2)c1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000745991318 1078723047 /nfs/dbraw/zinc/72/30/47/1078723047.db2.gz ODWOYFLDSQNKAU-GOSISDBHSA-N 1 2 416.522 2.459 20 0 HEADLO C[N@@H+](CC(=O)Nc1cccc(C(=O)NC2CC2)c1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000745991318 1078723052 /nfs/dbraw/zinc/72/30/52/1078723052.db2.gz ODWOYFLDSQNKAU-GOSISDBHSA-N 1 2 416.522 2.459 20 0 HEADLO Cc1ccc(N2CC[C@@H](NC(=O)Nc3ccc(N4CCOCC4)[nH+]c3C)C2=O)cc1 ZINC000770259768 1078793491 /nfs/dbraw/zinc/79/34/91/1078793491.db2.gz JAOHZKSWCVMTPZ-LJQANCHMSA-N 1 2 409.490 2.462 20 0 HEADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)NC1CCN(C(=O)OC(C)C)CC1 ZINC000770261521 1078795354 /nfs/dbraw/zinc/79/53/54/1078795354.db2.gz XXEBUOXDGIHKMQ-UHFFFAOYSA-N 1 2 405.499 2.358 20 0 HEADLO Cc1ccc(OC[C@H](C)NC(=O)C(=O)Nc2ccc(N3CCOCC3)[nH+]c2C)cc1 ZINC000770262101 1078796802 /nfs/dbraw/zinc/79/68/02/1078796802.db2.gz CNDGDTSSHQOMAH-INIZCTEOSA-N 1 2 412.490 2.057 20 0 HEADLO COC(=O)c1cc(F)c(Br)c(S(=O)(=O)N2CC[N@H+](C)CC2(C)C)c1 ZINC000770267920 1078798937 /nfs/dbraw/zinc/79/89/37/1078798937.db2.gz BPLUNGZZQDJDKC-UHFFFAOYSA-N 1 2 423.304 2.090 20 0 HEADLO COC(=O)c1cc(F)c(Br)c(S(=O)(=O)N2CC[N@@H+](C)CC2(C)C)c1 ZINC000770267920 1078798941 /nfs/dbraw/zinc/79/89/41/1078798941.db2.gz BPLUNGZZQDJDKC-UHFFFAOYSA-N 1 2 423.304 2.090 20 0 HEADLO COC(=O)c1cc(F)c(Br)c(S(=O)(=O)N2C[C@@H](C)[N@H+](C)C[C@@H]2C)c1 ZINC000770268820 1078799428 /nfs/dbraw/zinc/79/94/28/1078799428.db2.gz FKOGFZJCBBMYBP-ZJUUUORDSA-N 1 2 423.304 2.088 20 0 HEADLO COC(=O)c1cc(F)c(Br)c(S(=O)(=O)N2C[C@@H](C)[N@@H+](C)C[C@@H]2C)c1 ZINC000770268820 1078799431 /nfs/dbraw/zinc/79/94/31/1078799431.db2.gz FKOGFZJCBBMYBP-ZJUUUORDSA-N 1 2 423.304 2.088 20 0 HEADLO O=C(C[NH+]1CCN(c2ccccn2)CC1)N1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000746257198 1078834134 /nfs/dbraw/zinc/83/41/34/1078834134.db2.gz ZGUBKIOQCCLRQW-NHCUHLMSSA-N 1 2 412.509 2.457 20 0 HEADLO O=C(NCCN1C(=O)S/C(=C\c2ccccc2F)C1=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000746285562 1078836027 /nfs/dbraw/zinc/83/60/27/1078836027.db2.gz RFDQSQGQKOLBDJ-VQCBNXJZSA-N 1 2 414.462 2.437 20 0 HEADLO CCN(CC)S(=O)(=O)N1CC[NH+](CCc2cccc(OC(F)(F)F)c2)CC1 ZINC000746300992 1078846715 /nfs/dbraw/zinc/84/67/15/1078846715.db2.gz IMHBCKGUTFXMLV-UHFFFAOYSA-N 1 2 409.474 2.332 20 0 HEADLO CC(C)NS(=O)(=O)c1ccc(F)c(C(=O)N2CCC([N@H+](C)CC(F)F)CC2)c1 ZINC000746320679 1078857668 /nfs/dbraw/zinc/85/76/68/1078857668.db2.gz AQFGCHPEOOVYHD-UHFFFAOYSA-N 1 2 421.485 2.314 20 0 HEADLO CC(C)NS(=O)(=O)c1ccc(F)c(C(=O)N2CCC([N@@H+](C)CC(F)F)CC2)c1 ZINC000746320679 1078857672 /nfs/dbraw/zinc/85/76/72/1078857672.db2.gz AQFGCHPEOOVYHD-UHFFFAOYSA-N 1 2 421.485 2.314 20 0 HEADLO Cn1cc(C[C@@H]2CC(=O)N(C[NH+]3CCC(c4ccc(F)c(F)c4)CC3)C2=O)cn1 ZINC000746378640 1078883852 /nfs/dbraw/zinc/88/38/52/1078883852.db2.gz UJUJWPKBNORWKG-QGZVFWFLSA-N 1 2 402.445 2.453 20 0 HEADLO CC(C)CN1N=C(C(=O)N(Cc2ccccc2)[C@@H](C)C[NH+]2CCOCC2)CCC1=O ZINC000766378815 1078927585 /nfs/dbraw/zinc/92/75/85/1078927585.db2.gz AQLDOXLLPWNVSD-IBGZPJMESA-N 1 2 414.550 2.370 20 0 HEADLO C[C@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)[N@H+](C)Cc1ccc(Cl)nc1 ZINC000746449879 1078991015 /nfs/dbraw/zinc/99/10/15/1078991015.db2.gz GYKCXCUVDKRURY-CYBMUJFWSA-N 1 2 410.927 2.444 20 0 HEADLO C[C@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)[N@@H+](C)Cc1ccc(Cl)nc1 ZINC000746449879 1078991029 /nfs/dbraw/zinc/99/10/29/1078991029.db2.gz GYKCXCUVDKRURY-CYBMUJFWSA-N 1 2 410.927 2.444 20 0 HEADLO COC(=O)C[C@@H]1CSCC[N@@H+]1CC(=O)Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000746464096 1079010720 /nfs/dbraw/zinc/01/07/20/1079010720.db2.gz RJRRIGFMBKWFSI-JTDSTZFVSA-N 1 2 421.563 2.219 20 0 HEADLO COC(=O)C[C@@H]1CSCC[N@H+]1CC(=O)Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000746464096 1079010731 /nfs/dbraw/zinc/01/07/31/1079010731.db2.gz RJRRIGFMBKWFSI-JTDSTZFVSA-N 1 2 421.563 2.219 20 0 HEADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N1CCC[C@H]1C[C@H](O)c1cnn(C)c1 ZINC000766463941 1079014115 /nfs/dbraw/zinc/01/41/15/1079014115.db2.gz NIWBHASSJCOYOH-HKUYNNGSSA-N 1 2 414.510 2.080 20 0 HEADLO CCn1c2nnc(CN3CCC([N@H+](C)CC(F)F)CC3)n2c2ccccc2c1=O ZINC000746481195 1079036694 /nfs/dbraw/zinc/03/66/94/1079036694.db2.gz FMEKBDBDYFFIHD-UHFFFAOYSA-N 1 2 404.465 2.225 20 0 HEADLO CCn1c2nnc(CN3CCC([N@@H+](C)CC(F)F)CC3)n2c2ccccc2c1=O ZINC000746481195 1079036699 /nfs/dbraw/zinc/03/66/99/1079036699.db2.gz FMEKBDBDYFFIHD-UHFFFAOYSA-N 1 2 404.465 2.225 20 0 HEADLO Cc1cccn2cc(CCNC(=O)C(=O)Nc3ccc(Br)nc3)[nH+]c12 ZINC000766495456 1079038032 /nfs/dbraw/zinc/03/80/32/1079038032.db2.gz DSZGQPNQYXWKPT-UHFFFAOYSA-N 1 2 402.252 2.098 20 0 HEADLO O=C(C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[C@H]3CC[C@@H]1O3)C2)NCCCc1ccccc1 ZINC001109740471 1079038319 /nfs/dbraw/zinc/03/83/19/1079038319.db2.gz SIZLTXPANVVBGO-UQOPEDAQSA-N 1 2 411.546 2.024 20 0 HEADLO O=C(C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[C@H]3CC[C@@H]1O3)C2)NCCCc1ccccc1 ZINC001109740471 1079038325 /nfs/dbraw/zinc/03/83/25/1079038325.db2.gz SIZLTXPANVVBGO-UQOPEDAQSA-N 1 2 411.546 2.024 20 0 HEADLO C[C@H]1C[C@@H]([N@@H+]2CCc3onc(CN4CCOCC4)c3C2)CN1C(=O)OC(C)(C)C ZINC001168852458 1079052819 /nfs/dbraw/zinc/05/28/19/1079052819.db2.gz CNYOUQHKMUREMG-JKSUJKDBSA-N 1 2 406.527 2.263 20 0 HEADLO C[C@H]1C[C@@H]([N@H+]2CCc3onc(CN4CCOCC4)c3C2)CN1C(=O)OC(C)(C)C ZINC001168852458 1079052821 /nfs/dbraw/zinc/05/28/21/1079052821.db2.gz CNYOUQHKMUREMG-JKSUJKDBSA-N 1 2 406.527 2.263 20 0 HEADLO COC(=O)c1ccc(C[N@H+](C[C@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)c2ncccc12 ZINC001168925806 1079069143 /nfs/dbraw/zinc/06/91/43/1079069143.db2.gz UNVGVOALEAKBAS-DLBZAZTESA-N 1 2 418.515 2.190 20 0 HEADLO COC(=O)c1ccc(C[N@@H+](C[C@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)c2ncccc12 ZINC001168925806 1079069147 /nfs/dbraw/zinc/06/91/47/1079069147.db2.gz UNVGVOALEAKBAS-DLBZAZTESA-N 1 2 418.515 2.190 20 0 HEADLO COc1ccc(CN2CC[C@@H]([N@@H+]3CCn4c(nnc4C(F)(F)F)C3)CC2=O)cc1 ZINC001168926606 1079069762 /nfs/dbraw/zinc/06/97/62/1079069762.db2.gz KYLUWWCYNVTYRT-CQSZACIVSA-N 1 2 409.412 2.312 20 0 HEADLO COc1ccc(CN2CC[C@@H]([N@H+]3CCn4c(nnc4C(F)(F)F)C3)CC2=O)cc1 ZINC001168926606 1079069768 /nfs/dbraw/zinc/06/97/68/1079069768.db2.gz KYLUWWCYNVTYRT-CQSZACIVSA-N 1 2 409.412 2.312 20 0 HEADLO CCOC(=O)[C@@H]([NH2+][C@H]1CCN(Cc2ccc(OC)cc2)C(=O)C1)C1CCOCC1 ZINC001168906120 1079071670 /nfs/dbraw/zinc/07/16/70/1079071670.db2.gz UYSNNPNIGCKODI-RXVVDRJESA-N 1 2 404.507 2.134 20 0 HEADLO COc1ccc(CN2CC[C@H]([N@@H+]3CCn4c(Br)nnc4C3)CC2=O)cc1 ZINC001168943826 1079082405 /nfs/dbraw/zinc/08/24/05/1079082405.db2.gz CTJVUEYZYRMWAD-AWEZNQCLSA-N 1 2 420.311 2.056 20 0 HEADLO COc1ccc(CN2CC[C@H]([N@H+]3CCn4c(Br)nnc4C3)CC2=O)cc1 ZINC001168943826 1079082412 /nfs/dbraw/zinc/08/24/12/1079082412.db2.gz CTJVUEYZYRMWAD-AWEZNQCLSA-N 1 2 420.311 2.056 20 0 HEADLO NC(=O)[C@@H]1CCCN1C(=O)c1cnc(NCCc2cn3ccccc3[nH+]2)c(Cl)c1 ZINC001169002917 1079096905 /nfs/dbraw/zinc/09/69/05/1079096905.db2.gz TYSBCDRWBSGHOG-INIZCTEOSA-N 1 2 412.881 2.127 20 0 HEADLO CC(C)(C)OC(=O)NC[C@@H](C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1)c1ccccc1 ZINC000771033255 1079110911 /nfs/dbraw/zinc/11/09/11/1079110911.db2.gz OJDFRWCDQMSASW-RTBURBONSA-N 1 2 403.523 2.228 20 0 HEADLO CNS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(N3CCOCC3)[nH+]c2C)c1 ZINC000771066529 1079123943 /nfs/dbraw/zinc/12/39/43/1079123943.db2.gz XUAIRYFOLQMPEK-UHFFFAOYSA-N 1 2 424.910 2.040 20 0 HEADLO O=C(Nc1ccc(SC(F)F)nc1)C(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000771230168 1079218577 /nfs/dbraw/zinc/21/85/77/1079218577.db2.gz WQHFDEYUTFXAFL-KBPBESRZSA-N 1 2 414.478 2.094 20 0 HEADLO COc1cccc(NC(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)c1F ZINC000771250002 1079227431 /nfs/dbraw/zinc/22/74/31/1079227431.db2.gz UNCZVUBZAXVDPF-UHFFFAOYSA-N 1 2 401.442 2.090 20 0 HEADLO CCOC(=O)[C@@H]1CC[C@@H]([N@H+](Cc2cnn(CC)c2)Cc2c(C)nn(C)c2C)CO1 ZINC001169391955 1079261718 /nfs/dbraw/zinc/26/17/18/1079261718.db2.gz MEERQPMQBPUQBO-QUCCMNQESA-N 1 2 403.527 2.366 20 0 HEADLO CCOC(=O)[C@@H]1CC[C@@H]([N@@H+](Cc2cnn(CC)c2)Cc2c(C)nn(C)c2C)CO1 ZINC001169391955 1079261726 /nfs/dbraw/zinc/26/17/26/1079261726.db2.gz MEERQPMQBPUQBO-QUCCMNQESA-N 1 2 403.527 2.366 20 0 HEADLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 ZINC001687510880 1079263310 /nfs/dbraw/zinc/26/33/10/1079263310.db2.gz HQAWILYLSXAHGZ-OWSLCNJRSA-N 1 2 410.559 2.137 20 0 HEADLO CCOC(=O)N1CC[C@H](NC(=O)N2CC[NH+]([C@H](C)c3cccc(OC)c3)CC2)C1 ZINC000771379219 1079292888 /nfs/dbraw/zinc/29/28/88/1079292888.db2.gz JFSTVNCPECRXQT-AEFFLSMTSA-N 1 2 404.511 2.314 20 0 HEADLO COc1ccc(OC)c([C@@H](O)CNC(=O)CNc2cc(-c3ccncc3)cc[nH+]2)c1 ZINC001169436839 1079302864 /nfs/dbraw/zinc/30/28/64/1079302864.db2.gz ZKFKEXJFNHDAQV-IBGZPJMESA-N 1 2 408.458 2.423 20 0 HEADLO Cc1cnc(S(C)(=O)=O)nc1N[C@@H]1C[C@@H](C(=O)OCc2ccccc2)CCC[NH2+]1 ZINC001169518420 1079328778 /nfs/dbraw/zinc/32/87/78/1079328778.db2.gz ZBVJKUNFJSSTEM-DLBZAZTESA-N 1 2 418.519 2.060 20 0 HEADLO CC(=O)N1CCC[C@H](N2CCO[C@H](c3[nH+]cn4c3cccc4Br)C2)C1 ZINC001169602565 1079341187 /nfs/dbraw/zinc/34/11/87/1079341187.db2.gz IQCLDBIFUKWMIW-HOCLYGCPSA-N 1 2 407.312 2.481 20 0 HEADLO CCS(=O)(=O)c1ccc(Br)c(C(=O)N[C@H]2CCc3c[nH+]cn3C2)c1 ZINC000804333157 1079345685 /nfs/dbraw/zinc/34/56/85/1079345685.db2.gz GUSPJFVSZVSFAZ-NSHDSACASA-N 1 2 412.309 2.184 20 0 HEADLO CCOC(=O)N1CCC[C@@H]([N@@H+]2C[C@H](NC(=O)OC(C)(C)C)C[C@H]2C(=O)OC)CC1 ZINC001169703668 1079380114 /nfs/dbraw/zinc/38/01/14/1079380114.db2.gz ONHZHPBAMQOSIB-OAGGEKHMSA-N 1 2 413.515 2.138 20 0 HEADLO CCOC(=O)N1CCC[C@@H]([N@H+]2C[C@H](NC(=O)OC(C)(C)C)C[C@H]2C(=O)OC)CC1 ZINC001169703668 1079380119 /nfs/dbraw/zinc/38/01/19/1079380119.db2.gz ONHZHPBAMQOSIB-OAGGEKHMSA-N 1 2 413.515 2.138 20 0 HEADLO [NH3+]CCc1cn(-c2ccc(S(=O)(=O)Nc3nccs3)cn2)c2cccnc12 ZINC001169706331 1079380842 /nfs/dbraw/zinc/38/08/42/1079380842.db2.gz PTHBKUHJXRLCFK-UHFFFAOYSA-N 1 2 400.489 2.179 20 0 HEADLO CC(C)(C)OC(=O)N1CCc2ccccc2[C@@H]1C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000771563232 1079386076 /nfs/dbraw/zinc/38/60/76/1079386076.db2.gz VUPXWNOOZDKTDY-AZUAARDMSA-N 1 2 415.534 2.454 20 0 HEADLO CC(C)(C)OC(=O)N1CC[N@@H+]([C@@H]2CCCN(C(=O)c3ccccc3)C2)C[C@@H]1CO ZINC001169773837 1079409402 /nfs/dbraw/zinc/40/94/02/1079409402.db2.gz ADIMHYASHOTWOC-RTBURBONSA-N 1 2 403.523 2.205 20 0 HEADLO CC(C)(C)OC(=O)N1CC[N@H+]([C@@H]2CCCN(C(=O)c3ccccc3)C2)C[C@@H]1CO ZINC001169773837 1079409428 /nfs/dbraw/zinc/40/94/28/1079409428.db2.gz ADIMHYASHOTWOC-RTBURBONSA-N 1 2 403.523 2.205 20 0 HEADLO Cc1ccn2ncc(C(=O)NCCC[NH+]3CCN(C(=O)OC(C)(C)C)CC3)c2c1 ZINC000766836165 1079420356 /nfs/dbraw/zinc/42/03/56/1079420356.db2.gz OEJHOIKAXRPTMY-UHFFFAOYSA-N 1 2 401.511 2.315 20 0 HEADLO C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1O ZINC000771655526 1079426592 /nfs/dbraw/zinc/42/65/92/1079426592.db2.gz ASFSRDZOVPDZJA-HNNXBMFYSA-N 1 2 406.527 2.495 20 0 HEADLO CS(=O)(=O)C1CCC([NH+]2CCN(c3ccc(Br)cn3)CC2)CC1 ZINC001169876577 1079465951 /nfs/dbraw/zinc/46/59/51/1079465951.db2.gz PMKNEXRBYZOIBM-UHFFFAOYSA-N 1 2 402.358 2.322 20 0 HEADLO NS(=O)(=O)c1cc(C[N@@H+]2CCC[C@H](CNC(=O)OCc3ccccc3)C2)co1 ZINC001169906964 1079472664 /nfs/dbraw/zinc/47/26/64/1079472664.db2.gz AWHMCKLPJLVRCP-MRXNPFEDSA-N 1 2 407.492 2.065 20 0 HEADLO NS(=O)(=O)c1cc(C[N@H+]2CCC[C@H](CNC(=O)OCc3ccccc3)C2)co1 ZINC001169906964 1079472672 /nfs/dbraw/zinc/47/26/72/1079472672.db2.gz AWHMCKLPJLVRCP-MRXNPFEDSA-N 1 2 407.492 2.065 20 0 HEADLO O=C(/C=C\c1ccc(Cl)cc1)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000737753290 1075923086 /nfs/dbraw/zinc/92/30/86/1075923086.db2.gz UIZHWLFUDVEQMO-UTCJRWHESA-N 1 2 413.909 2.329 20 0 HEADLO O=C(/C=C\c1ccc(Cl)cc1)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000737753290 1075923088 /nfs/dbraw/zinc/92/30/88/1075923088.db2.gz UIZHWLFUDVEQMO-UTCJRWHESA-N 1 2 413.909 2.329 20 0 HEADLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)c1ccccc1 ZINC000737841674 1075935830 /nfs/dbraw/zinc/93/58/30/1075935830.db2.gz QCJLHDMJAHEOOU-UGKGYDQZSA-N 1 2 424.545 2.406 20 0 HEADLO CN(C[C@@H]1CCC[N@H+](CN2C(=O)C[C@@]3(CCSC3)C2=O)C1)C(=O)OC(C)(C)C ZINC000738086832 1075959388 /nfs/dbraw/zinc/95/93/88/1075959388.db2.gz OTNRYNVMGCAPAV-MGPUTAFESA-N 1 2 411.568 2.405 20 0 HEADLO CN(C[C@@H]1CCC[N@@H+](CN2C(=O)C[C@@]3(CCSC3)C2=O)C1)C(=O)OC(C)(C)C ZINC000738086832 1075959394 /nfs/dbraw/zinc/95/93/94/1075959394.db2.gz OTNRYNVMGCAPAV-MGPUTAFESA-N 1 2 411.568 2.405 20 0 HEADLO COC(=O)[C@H]1CCC[N@H+](CN2C(=O)N[C@](C)(c3ccc(CC(C)C)cc3)C2=O)C1 ZINC000738060683 1075961831 /nfs/dbraw/zinc/96/18/31/1075961831.db2.gz IGISGTQIIRTXCH-HTAPYJJXSA-N 1 2 401.507 2.495 20 0 HEADLO COC(=O)[C@H]1CCC[N@@H+](CN2C(=O)N[C@](C)(c3ccc(CC(C)C)cc3)C2=O)C1 ZINC000738060683 1075961834 /nfs/dbraw/zinc/96/18/34/1075961834.db2.gz IGISGTQIIRTXCH-HTAPYJJXSA-N 1 2 401.507 2.495 20 0 HEADLO COC(=O)[C@H]1CCC[N@H+](Cn2c3cc(S(=O)(=O)N(C)C)ccc3oc2=S)C1 ZINC000738060216 1075962234 /nfs/dbraw/zinc/96/22/34/1075962234.db2.gz AXSCUFBQZMQURJ-LBPRGKRZSA-N 1 2 413.521 2.057 20 0 HEADLO COC(=O)[C@H]1CCC[N@@H+](Cn2c3cc(S(=O)(=O)N(C)C)ccc3oc2=S)C1 ZINC000738060216 1075962247 /nfs/dbraw/zinc/96/22/47/1075962247.db2.gz AXSCUFBQZMQURJ-LBPRGKRZSA-N 1 2 413.521 2.057 20 0 HEADLO O=C1N[C@@](c2ccccc2)(C(F)(F)F)C(=O)N1CN1CCC(n2cc[nH+]c2)CC1 ZINC000738109865 1075964267 /nfs/dbraw/zinc/96/42/67/1075964267.db2.gz HVCXYWVAYNXENI-GOSISDBHSA-N 1 2 407.396 2.487 20 0 HEADLO CCCN1C(=O)C(=O)N(C[NH+]2CCC(C(=O)Nc3ccc(F)c(Cl)c3)CC2)C1=O ZINC000738243511 1075980490 /nfs/dbraw/zinc/98/04/90/1075980490.db2.gz POGXAZHGKIKESX-UHFFFAOYSA-N 1 2 424.860 2.288 20 0 HEADLO COC(=O)c1cc(C(=O)OC)cc(S(=O)(=O)Oc2cccc(-n3cc[nH+]c3)c2)c1 ZINC000738391660 1075993693 /nfs/dbraw/zinc/99/36/93/1075993693.db2.gz NFMPRIILWGQUJU-UHFFFAOYSA-N 1 2 416.411 2.213 20 0 HEADLO O=C(CC[S@@](=O)c1ccc2c(c1)OCCO2)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000740744492 1079500988 /nfs/dbraw/zinc/50/09/88/1079500988.db2.gz OWXJRKHCIJQIOR-GDLZYMKVSA-N 1 2 411.483 2.458 20 0 HEADLO C[C@@H]1COCCN1c1ccc(NC(=O)C(=O)NCCCCNc2cccc[nH+]2)cc1 ZINC000739083882 1076029878 /nfs/dbraw/zinc/02/98/78/1076029878.db2.gz AAQCNTGZLDLQPG-QGZVFWFLSA-N 1 2 411.506 2.254 20 0 HEADLO C[C@@H]1COCCN1c1ccc(NC(=O)C(=O)NCc2cc[nH+]c(N3CCCC3)c2)cc1 ZINC000739069902 1076036936 /nfs/dbraw/zinc/03/69/36/1076036936.db2.gz RHIQREYHUXIQPO-QGZVFWFLSA-N 1 2 423.517 2.162 20 0 HEADLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)C(=O)Nc1ccc(O[C@@H]2CCOC2)cc1 ZINC000740495806 1076174253 /nfs/dbraw/zinc/17/42/53/1076174253.db2.gz RYFPRJKTRQLTMB-HXUWFJFHSA-N 1 2 406.442 2.295 20 0 HEADLO C[C@H](CNC(=O)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1)Cn1cc[nH+]c1 ZINC000740727721 1076218123 /nfs/dbraw/zinc/21/81/23/1076218123.db2.gz ZTQPVIKWWSLHEN-OAHLLOKOSA-N 1 2 408.499 2.263 20 0 HEADLO C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)c1ccc(Cl)c(S(C)(=O)=O)c1 ZINC000740684952 1076224095 /nfs/dbraw/zinc/22/40/95/1076224095.db2.gz WTMNVDRGPIBVJV-UHFFFAOYSA-N 1 2 409.895 2.156 20 0 HEADLO COc1ccc(S(=O)(=O)CCC(=O)NCc2[nH+]cc(C)c(OC)c2C)cc1OC ZINC000740783140 1076236811 /nfs/dbraw/zinc/23/68/11/1076236811.db2.gz NLEGKLAFYSYOCC-UHFFFAOYSA-N 1 2 422.503 2.204 20 0 HEADLO C[C@@H]1CN(c2cc(N3CCC[C@@H](CO)C3)[nH+]cn2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000740868862 1076275307 /nfs/dbraw/zinc/27/53/07/1076275307.db2.gz DOOPQSWGUAWHRA-BRWVUGGUSA-N 1 2 405.543 2.425 20 0 HEADLO C[C@@H]1CN(c2cc(N3CCC[C@@H](CO)C3)nc[nH+]2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000740868862 1076275318 /nfs/dbraw/zinc/27/53/18/1076275318.db2.gz DOOPQSWGUAWHRA-BRWVUGGUSA-N 1 2 405.543 2.425 20 0 HEADLO COc1ccc(C(=O)NC(=O)C[N@@H+]2CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)C2)cc1 ZINC000740884118 1076283726 /nfs/dbraw/zinc/28/37/26/1076283726.db2.gz VHBAZAFATIDLAL-PBHICJAKSA-N 1 2 405.495 2.187 20 0 HEADLO COc1ccc(C(=O)NC(=O)C[N@H+]2CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)C2)cc1 ZINC000740884118 1076283730 /nfs/dbraw/zinc/28/37/30/1076283730.db2.gz VHBAZAFATIDLAL-PBHICJAKSA-N 1 2 405.495 2.187 20 0 HEADLO O=C1OCCN1c1ccc(S(=O)(=O)NCc2cc[nH+]c(N3CCCC3)c2)cc1 ZINC000740890163 1076290618 /nfs/dbraw/zinc/29/06/18/1076290618.db2.gz WDMBWNDJOXIVRS-UHFFFAOYSA-N 1 2 402.476 2.117 20 0 HEADLO CC(=O)Nc1ccc(S(=O)(=O)CCCOC(=O)[C@@H](C(C)C)[NH+]2CCCC2)cc1 ZINC000741012686 1076328515 /nfs/dbraw/zinc/32/85/15/1076328515.db2.gz ZXEUXLFRXVYNGF-LJQANCHMSA-N 1 2 410.536 2.472 20 0 HEADLO Cc1cc(C(=O)COC(=O)[C@@H](C)[NH+]2CCCCCC2)c(C)n1[C@H]1CCS(=O)(=O)C1 ZINC000741028667 1076343343 /nfs/dbraw/zinc/34/33/43/1076343343.db2.gz IBLJIBVPAFOJMV-MSOLQXFVSA-N 1 2 424.563 2.455 20 0 HEADLO Cc1cc(C(=O)COC(=O)[C@@H](C)[NH+]2CCCCCC2)c(C)n1[C@@H]1CCS(=O)(=O)C1 ZINC000741028668 1076343415 /nfs/dbraw/zinc/34/34/15/1076343415.db2.gz IBLJIBVPAFOJMV-QZTJIDSGSA-N 1 2 424.563 2.455 20 0 HEADLO O=C(N[C@H](Cc1ccccc1)C[NH+]1CCOCC1)N[C@@H](CCO)c1cccs1 ZINC000741086250 1076350019 /nfs/dbraw/zinc/35/00/19/1076350019.db2.gz LADCNSMUDKKOKF-MOPGFXCFSA-N 1 2 403.548 2.414 20 0 HEADLO C[C@H](c1cccc(NC(=O)C(=O)NC[C@@](C)(O)c2ccsc2)c1)[NH+]1CCOCC1 ZINC000741106976 1076360320 /nfs/dbraw/zinc/36/03/20/1076360320.db2.gz CNKSVCOQJQCUKW-QVKFZJNVSA-N 1 2 417.531 2.104 20 0 HEADLO O=C(NC[C@H]1CCCO1)c1ccccc1NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000741176213 1076396050 /nfs/dbraw/zinc/39/60/50/1076396050.db2.gz TVFQLEYZVUYHOI-DENIHFKCSA-N 1 2 423.513 2.435 20 0 HEADLO O=C(NC[C@H]1CCCO1)c1ccccc1NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000741176213 1076396054 /nfs/dbraw/zinc/39/60/54/1076396054.db2.gz TVFQLEYZVUYHOI-DENIHFKCSA-N 1 2 423.513 2.435 20 0 HEADLO CCO[C@H]1C[C@H](O)C12CC[NH+](Cc1nnnn1-c1ccc(OC(F)F)cc1)CC2 ZINC000741255284 1076445685 /nfs/dbraw/zinc/44/56/85/1076445685.db2.gz HNQVTUOURYSDIK-HOTGVXAUSA-N 1 2 409.437 2.016 20 0 HEADLO C[C@H](NC(=O)COC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1)C(=O)N1CCCCC1 ZINC000741353025 1076492515 /nfs/dbraw/zinc/49/25/15/1076492515.db2.gz OXFNFPQVTNEOMQ-ICSRJNTNSA-N 1 2 415.534 2.102 20 0 HEADLO C[C@H](NC(=O)COC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1)C(=O)N1CCCCC1 ZINC000741353025 1076492517 /nfs/dbraw/zinc/49/25/17/1076492517.db2.gz OXFNFPQVTNEOMQ-ICSRJNTNSA-N 1 2 415.534 2.102 20 0 HEADLO COc1ccc(CNC(=O)COC(=O)C[C@H]2C[N@H+](Cc3ccccc3)CCO2)cc1 ZINC000741356927 1076494486 /nfs/dbraw/zinc/49/44/86/1076494486.db2.gz SCMUDIFBUBDAIS-NRFANRHFSA-N 1 2 412.486 2.146 20 0 HEADLO COc1ccc(CNC(=O)COC(=O)C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1 ZINC000741356927 1076494492 /nfs/dbraw/zinc/49/44/92/1076494492.db2.gz SCMUDIFBUBDAIS-NRFANRHFSA-N 1 2 412.486 2.146 20 0 HEADLO C[C@@H](OC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000741387816 1076495676 /nfs/dbraw/zinc/49/56/76/1076495676.db2.gz QEQFMTLXFZTNJO-FOIQADDNSA-N 1 2 412.442 2.187 20 0 HEADLO C[C@@H](OC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000741387816 1076495678 /nfs/dbraw/zinc/49/56/78/1076495678.db2.gz QEQFMTLXFZTNJO-FOIQADDNSA-N 1 2 412.442 2.187 20 0 HEADLO C[C@H](OC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1)C(=O)N1CCc2sccc2C1 ZINC000741387699 1076496093 /nfs/dbraw/zinc/49/60/93/1076496093.db2.gz OXRBINZPRSYLMY-LPHOPBHVSA-N 1 2 414.527 2.466 20 0 HEADLO C[C@H](OC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)C(=O)N1CCc2sccc2C1 ZINC000741387699 1076496099 /nfs/dbraw/zinc/49/60/99/1076496099.db2.gz OXRBINZPRSYLMY-LPHOPBHVSA-N 1 2 414.527 2.466 20 0 HEADLO C[C@@H]1CCCC[C@H]1OCCNC(=O)COC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000741389679 1076497240 /nfs/dbraw/zinc/49/72/40/1076497240.db2.gz WUSHXMBOYRCNLG-NRSPTQNISA-N 1 2 418.534 2.142 20 0 HEADLO C[C@@H]1CCCC[C@H]1OCCNC(=O)COC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000741389679 1076497244 /nfs/dbraw/zinc/49/72/44/1076497244.db2.gz WUSHXMBOYRCNLG-NRSPTQNISA-N 1 2 418.534 2.142 20 0 HEADLO O=C(COC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1)N1CCC(c2ccccc2)=N1 ZINC000741381158 1076505004 /nfs/dbraw/zinc/50/50/04/1076505004.db2.gz YNHWBMRANDXHEX-OAQYLSRUSA-N 1 2 407.470 2.067 20 0 HEADLO O=C(COC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CCC(c2ccccc2)=N1 ZINC000741381158 1076505008 /nfs/dbraw/zinc/50/50/08/1076505008.db2.gz YNHWBMRANDXHEX-OAQYLSRUSA-N 1 2 407.470 2.067 20 0 HEADLO C[C@@H](OC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1)C(=O)NCc1ccccc1F ZINC000741380472 1076506050 /nfs/dbraw/zinc/50/60/50/1076506050.db2.gz UBUMLYYSSGDEAE-UZLBHIALSA-N 1 2 400.450 2.275 20 0 HEADLO C[C@@H](OC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)C(=O)NCc1ccccc1F ZINC000741380472 1076506057 /nfs/dbraw/zinc/50/60/57/1076506057.db2.gz UBUMLYYSSGDEAE-UZLBHIALSA-N 1 2 400.450 2.275 20 0 HEADLO COc1ccc(CN(C)C(=O)COC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cc1 ZINC000741385840 1076509173 /nfs/dbraw/zinc/50/91/73/1076509173.db2.gz INVYGCKNJKGEFY-NRFANRHFSA-N 1 2 412.486 2.098 20 0 HEADLO COc1ccc(CN(C)C(=O)COC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1 ZINC000741385840 1076509178 /nfs/dbraw/zinc/50/91/78/1076509178.db2.gz INVYGCKNJKGEFY-NRFANRHFSA-N 1 2 412.486 2.098 20 0 HEADLO Cc1cccc(NC2CCN(C(=O)NC3CC[NH+](CCS(C)(=O)=O)CC3)CC2)c1 ZINC000741414579 1076515450 /nfs/dbraw/zinc/51/54/50/1076515450.db2.gz QWVTVOVHOCYPRP-UHFFFAOYSA-N 1 2 422.595 2.090 20 0 HEADLO CCN1C[C@@H](C[N@H+](C)[C@H](C)C(=O)Nc2sccc2C(N)=O)Oc2ccccc21 ZINC000741614680 1076555763 /nfs/dbraw/zinc/55/57/63/1076555763.db2.gz FZMUGYVOGUMPTE-ZIAGYGMSSA-N 1 2 402.520 2.393 20 0 HEADLO CCN1C[C@@H](C[N@@H+](C)[C@H](C)C(=O)Nc2sccc2C(N)=O)Oc2ccccc21 ZINC000741614680 1076555768 /nfs/dbraw/zinc/55/57/68/1076555768.db2.gz FZMUGYVOGUMPTE-ZIAGYGMSSA-N 1 2 402.520 2.393 20 0 HEADLO Cc1cc(C(=O)NCC[N@@H+]2CCO[C@H](C)C2)cc(C)c1OCC(=O)N1CCCCC1 ZINC000741684134 1076585217 /nfs/dbraw/zinc/58/52/17/1076585217.db2.gz FSSRESRLWWTZPD-LJQANCHMSA-N 1 2 417.550 2.145 20 0 HEADLO Cc1cc(C(=O)NCC[N@H+]2CCO[C@H](C)C2)cc(C)c1OCC(=O)N1CCCCC1 ZINC000741684134 1076585219 /nfs/dbraw/zinc/58/52/19/1076585219.db2.gz FSSRESRLWWTZPD-LJQANCHMSA-N 1 2 417.550 2.145 20 0 HEADLO CCOC(=O)C1=C(C[NH+]2CCC(O)(c3cccc(C)c3C)CC2)NC(=O)N[C@H]1C ZINC000741805374 1076643581 /nfs/dbraw/zinc/64/35/81/1076643581.db2.gz PYBOBPPIGKQULY-INIZCTEOSA-N 1 2 401.507 2.105 20 0 HEADLO CN(C)c1ccc([NH+]2CCC(NC(=O)[C@@H]3CC(=O)N(Cc4ccccn4)C3)CC2)cc1 ZINC000741982791 1076702373 /nfs/dbraw/zinc/70/23/73/1076702373.db2.gz JCGGNDABIVNTKZ-GOSISDBHSA-N 1 2 421.545 2.281 20 0 HEADLO C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(C[N@@H+]2CC[C@H](CN3CCOCC3)C2)C1=O ZINC000742162626 1076773202 /nfs/dbraw/zinc/77/32/02/1076773202.db2.gz XBMUISBULGJNJI-KOSHJBKYSA-N 1 2 422.529 2.218 20 0 HEADLO C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(C[N@H+]2CC[C@H](CN3CCOCC3)C2)C1=O ZINC000742162626 1076773218 /nfs/dbraw/zinc/77/32/18/1076773218.db2.gz XBMUISBULGJNJI-KOSHJBKYSA-N 1 2 422.529 2.218 20 0 HEADLO O=C(C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)NCC[S@](=O)Cc1ccccc1 ZINC000742252433 1076810032 /nfs/dbraw/zinc/81/00/32/1076810032.db2.gz AWYBAWSNCILXQQ-PIKZIKFNSA-N 1 2 400.544 2.343 20 0 HEADLO O=C(C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)NCC[S@](=O)Cc1ccccc1 ZINC000742252433 1076810033 /nfs/dbraw/zinc/81/00/33/1076810033.db2.gz AWYBAWSNCILXQQ-PIKZIKFNSA-N 1 2 400.544 2.343 20 0 HEADLO CCOC(=O)N1CCC(S(=O)(=O)N2CC[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000742294860 1076820231 /nfs/dbraw/zinc/82/02/31/1076820231.db2.gz IPXHIMUJXDMSGV-QGZVFWFLSA-N 1 2 409.552 2.143 20 0 HEADLO CCOC(=O)N1CCC(S(=O)(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000742294860 1076820232 /nfs/dbraw/zinc/82/02/32/1076820232.db2.gz IPXHIMUJXDMSGV-QGZVFWFLSA-N 1 2 409.552 2.143 20 0 HEADLO O=S(=O)(/C=C/c1ccc(Br)cc1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000742316229 1076828523 /nfs/dbraw/zinc/82/85/23/1076828523.db2.gz FWUMKKZPJBOGAY-GXDWLZFVSA-N 1 2 415.353 2.404 20 0 HEADLO CN(C)c1ccc([NH+]2CCC(NS(=O)(=O)c3cccc4c3COC4=O)CC2)cc1 ZINC000742317719 1076828694 /nfs/dbraw/zinc/82/86/94/1076828694.db2.gz WFZVNBKKCNDUKO-UHFFFAOYSA-N 1 2 415.515 2.370 20 0 HEADLO COc1ccc(CC(N)=[NH+]OCC(=O)N2CCO[C@H](c3ccc(F)cc3)C2)cc1 ZINC000742354409 1076829507 /nfs/dbraw/zinc/82/95/07/1076829507.db2.gz MFFOWPAXCXIHFX-IBGZPJMESA-N 1 2 401.438 2.475 20 0 HEADLO Cc1noc(-c2ccc(N[C@@H]3CCCN(c4cc(N5CCOCC5)nc[nH+]4)C3)nc2)n1 ZINC000742407715 1076835239 /nfs/dbraw/zinc/83/52/39/1076835239.db2.gz WAZVMLFJYIFBNV-QGZVFWFLSA-N 1 2 422.493 2.148 20 0 HEADLO Cc1noc(-c2ccc(N[C@@H]3CCCN(c4cc(N5CCOCC5)[nH+]cn4)C3)nc2)n1 ZINC000742407715 1076835240 /nfs/dbraw/zinc/83/52/40/1076835240.db2.gz WAZVMLFJYIFBNV-QGZVFWFLSA-N 1 2 422.493 2.148 20 0 HEADLO O=C(/C=C/c1ccccc1)N1CCC(C(=O)N2CCC[C@H]2C[NH+]2CCOCC2)CC1 ZINC000742763120 1076874913 /nfs/dbraw/zinc/87/49/13/1076874913.db2.gz SUVJRHRDRCCZLD-UVIRAJKCSA-N 1 2 411.546 2.262 20 0 HEADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)CCc1nc2c(cnn2C)c(=O)[nH]1 ZINC000742941508 1076896674 /nfs/dbraw/zinc/89/66/74/1076896674.db2.gz BUMCMFCZDGSLQX-UHFFFAOYSA-N 1 2 423.521 2.162 20 0 HEADLO CN(C)c1ccc([NH+]2CCC(NC(=O)Nc3ccc(S(C)(=O)=O)nc3)CC2)cc1 ZINC000743100379 1076953675 /nfs/dbraw/zinc/95/36/75/1076953675.db2.gz GRKVMMKDHOQQIA-UHFFFAOYSA-N 1 2 417.535 2.342 20 0 HEADLO Cc1ccc(N2CCC[C@H](NC(=O)Nc3ccn(CC[NH+]4CCOCC4)n3)C2)cc1 ZINC000743168771 1076985489 /nfs/dbraw/zinc/98/54/89/1076985489.db2.gz LSYZCAUTKIAPPG-IBGZPJMESA-N 1 2 412.538 2.314 20 0 HEADLO O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)Nc1ccn(Cc2ccccn2)n1 ZINC000743170147 1076986868 /nfs/dbraw/zinc/98/68/68/1076986868.db2.gz TXOQCWOWVNXCGE-FQEVSTJZSA-N 1 2 406.490 2.349 20 0 HEADLO O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)Nc1ccn(Cc2ccccn2)n1 ZINC000743170147 1076986884 /nfs/dbraw/zinc/98/68/84/1076986884.db2.gz TXOQCWOWVNXCGE-FQEVSTJZSA-N 1 2 406.490 2.349 20 0 HEADLO CC(C)C(=O)N1CC[NH+](C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)CC1 ZINC000743251444 1077014522 /nfs/dbraw/zinc/01/45/22/1077014522.db2.gz RARFFDACYGABSZ-PMACEKPBSA-N 1 2 419.566 2.284 20 0 HEADLO CS(=O)(=O)N[C@@H]1CC[N@H+](Cn2ncc3cc(OCc4ccccc4)ccc32)C1 ZINC000743364278 1077033368 /nfs/dbraw/zinc/03/33/68/1077033368.db2.gz CKWKNCYIPUBVSM-GOSISDBHSA-N 1 2 400.504 2.196 20 0 HEADLO CS(=O)(=O)N[C@@H]1CC[N@@H+](Cn2ncc3cc(OCc4ccccc4)ccc32)C1 ZINC000743364278 1077033373 /nfs/dbraw/zinc/03/33/73/1077033373.db2.gz CKWKNCYIPUBVSM-GOSISDBHSA-N 1 2 400.504 2.196 20 0 HEADLO Cc1cc([C@](C)(O)CNC(=O)NCc2ccccc2C[NH+]2CCOCC2)c(C)o1 ZINC000743514548 1077061921 /nfs/dbraw/zinc/06/19/21/1077061921.db2.gz QOMUEBPUVMMSNP-JOCHJYFZSA-N 1 2 401.507 2.436 20 0 HEADLO COc1c(C)c[nH+]c(CNC(=O)N[C@@H]2CC(=O)N(CCOc3ccccc3)C2)c1C ZINC000743574738 1077071707 /nfs/dbraw/zinc/07/17/07/1077071707.db2.gz XHEOURUQNVCCMU-QGZVFWFLSA-N 1 2 412.490 2.186 20 0 HEADLO CCOC(=O)C1C(C[NH+]2CCC(O)(CC)CC2)=NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000743855704 1077143522 /nfs/dbraw/zinc/14/35/22/1077143522.db2.gz XITTVNBOLJREBK-IBGZPJMESA-N 1 2 417.506 2.103 20 0 HEADLO CCOC(=O)C1=C(C[NH+]2CCC(O)(CC)CC2)NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000743855704 1077143531 /nfs/dbraw/zinc/14/35/31/1077143531.db2.gz XITTVNBOLJREBK-IBGZPJMESA-N 1 2 417.506 2.103 20 0 HEADLO C[C@H]1CCCC[C@H]1NC(=O)NC(=O)C[N@@H+]1CCc2c(cccc2N2CCOC2=O)C1 ZINC000743858441 1077144800 /nfs/dbraw/zinc/14/48/00/1077144800.db2.gz XPVLBBHJQCFZET-MAUKXSAKSA-N 1 2 414.506 2.406 20 0 HEADLO C[C@H]1CCCC[C@H]1NC(=O)NC(=O)C[N@H+]1CCc2c(cccc2N2CCOC2=O)C1 ZINC000743858441 1077144801 /nfs/dbraw/zinc/14/48/01/1077144801.db2.gz XPVLBBHJQCFZET-MAUKXSAKSA-N 1 2 414.506 2.406 20 0 HEADLO O=C(C[N@@H+]1CCc2c(cccc2N2CCOC2=O)C1)Nc1ccc2c(c1)OCCO2 ZINC000743858649 1077144953 /nfs/dbraw/zinc/14/49/53/1077144953.db2.gz XHIIVKQEBLSYIN-UHFFFAOYSA-N 1 2 409.442 2.411 20 0 HEADLO O=C(C[N@H+]1CCc2c(cccc2N2CCOC2=O)C1)Nc1ccc2c(c1)OCCO2 ZINC000743858649 1077144965 /nfs/dbraw/zinc/14/49/65/1077144965.db2.gz XHIIVKQEBLSYIN-UHFFFAOYSA-N 1 2 409.442 2.411 20 0 HEADLO CCc1ccc(N2CC[NH+](CC(=O)N3Cc4ccccc4C[C@@H]3C(=O)OC)CC2)cc1 ZINC000743867175 1077153211 /nfs/dbraw/zinc/15/32/11/1077153211.db2.gz HCRMWIYPPWSWAT-HSZRJFAPSA-N 1 2 421.541 2.498 20 0 HEADLO COC(=O)[C@]1(F)CC[N@H+](C[C@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000752086949 1077215309 /nfs/dbraw/zinc/21/53/09/1077215309.db2.gz GTZDGTVBPJEWHT-NHYWBVRUSA-N 1 2 410.667 2.429 20 0 HEADLO COC(=O)[C@]1(F)CC[N@@H+](C[C@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000752086949 1077215321 /nfs/dbraw/zinc/21/53/21/1077215321.db2.gz GTZDGTVBPJEWHT-NHYWBVRUSA-N 1 2 410.667 2.429 20 0 HEADLO O=C(/C=C/c1ccc2c(c1)OCO2)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000743937923 1077230217 /nfs/dbraw/zinc/23/02/17/1077230217.db2.gz ZERLRXNSHGPWKQ-SOFGYWHQSA-N 1 2 410.470 2.456 20 0 HEADLO CN(C)c1ccc([NH+]2CCC(NC(=O)C(=O)Nc3cnc(C4CC4)nc3)CC2)cc1 ZINC000743944342 1077238844 /nfs/dbraw/zinc/23/88/44/1077238844.db2.gz GAVDSNCQFYMCNS-UHFFFAOYSA-N 1 2 408.506 2.144 20 0 HEADLO Cc1ccc([C@H](O)CNC(=O)NCc2ccccc2OCC[NH+]2CCOCC2)cc1 ZINC000744291595 1077357462 /nfs/dbraw/zinc/35/74/62/1077357462.db2.gz ARPXSNGPPWNYOX-OAQYLSRUSA-N 1 2 413.518 2.239 20 0 HEADLO O=c1cc(CN2CC[NH+](C[C@H](O)c3cccc(Cl)c3)CC2)nc2sccn21 ZINC000744384262 1077376868 /nfs/dbraw/zinc/37/68/68/1077376868.db2.gz KOCZBBFRFSRZRD-KRWDZBQOSA-N 1 2 404.923 2.261 20 0 HEADLO COC(=O)c1cccc(NC(=O)C[N@@H+]2CCc3c(cccc3N3CCOC3=O)C2)c1 ZINC000744414871 1077377974 /nfs/dbraw/zinc/37/79/74/1077377974.db2.gz UCUJSEZQVCOSLJ-UHFFFAOYSA-N 1 2 409.442 2.427 20 0 HEADLO COC(=O)c1cccc(NC(=O)C[N@H+]2CCc3c(cccc3N3CCOC3=O)C2)c1 ZINC000744414871 1077377980 /nfs/dbraw/zinc/37/79/80/1077377980.db2.gz UCUJSEZQVCOSLJ-UHFFFAOYSA-N 1 2 409.442 2.427 20 0 HEADLO C[C@H](c1ccc(Cl)cc1)N1CC[NH+](CC(=O)N2CCC3(CC2)OCCO3)CC1 ZINC000744411896 1077384339 /nfs/dbraw/zinc/38/43/39/1077384339.db2.gz UYPSSIJNFQSOQQ-QGZVFWFLSA-N 1 2 407.942 2.384 20 0 HEADLO C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(CC(=O)N2CCC3(CC2)OCCO3)CC1 ZINC000744411896 1077384343 /nfs/dbraw/zinc/38/43/43/1077384343.db2.gz UYPSSIJNFQSOQQ-QGZVFWFLSA-N 1 2 407.942 2.384 20 0 HEADLO COC(=O)/C=C1/SCC(=O)N1CCC[N@H+](C)Cc1nccn1Cc1ccccc1 ZINC000744412868 1077384610 /nfs/dbraw/zinc/38/46/10/1077384610.db2.gz VCLCSTSKGLODTQ-DEDYPNTBSA-N 1 2 414.531 2.343 20 0 HEADLO COC(=O)/C=C1/SCC(=O)N1CCC[N@@H+](C)Cc1nccn1Cc1ccccc1 ZINC000744412868 1077384617 /nfs/dbraw/zinc/38/46/17/1077384617.db2.gz VCLCSTSKGLODTQ-DEDYPNTBSA-N 1 2 414.531 2.343 20 0 HEADLO CCc1ccc(N2CC[NH+]([C@@H](C)C(=O)Nc3cccc(S(N)(=O)=O)c3)CC2)cc1 ZINC000744422752 1077386114 /nfs/dbraw/zinc/38/61/14/1077386114.db2.gz SOLSGJZFEHIYEH-INIZCTEOSA-N 1 2 416.547 2.046 20 0 HEADLO CC(C)[C@H]1C[N@H+](CC(=O)NN2C(=O)N[C@@](C)(CCc3ccccc3)C2=O)CCS1 ZINC000744422509 1077386367 /nfs/dbraw/zinc/38/63/67/1077386367.db2.gz GPGYWQQORAYLMH-UTKZUKDTSA-N 1 2 418.563 2.034 20 0 HEADLO CC(C)[C@H]1C[N@@H+](CC(=O)NN2C(=O)N[C@@](C)(CCc3ccccc3)C2=O)CCS1 ZINC000744422509 1077386374 /nfs/dbraw/zinc/38/63/74/1077386374.db2.gz GPGYWQQORAYLMH-UTKZUKDTSA-N 1 2 418.563 2.034 20 0 HEADLO C[N@@H+](Cc1ccc2c(c1)OCCO2)CN1CC2(CN(C(=O)OC(C)(C)C)C2)CC1=O ZINC000744432746 1077392527 /nfs/dbraw/zinc/39/25/27/1077392527.db2.gz ZETDGGXUSHINIU-UHFFFAOYSA-N 1 2 417.506 2.317 20 0 HEADLO C[N@H+](Cc1ccc2c(c1)OCCO2)CN1CC2(CN(C(=O)OC(C)(C)C)C2)CC1=O ZINC000744432746 1077392535 /nfs/dbraw/zinc/39/25/35/1077392535.db2.gz ZETDGGXUSHINIU-UHFFFAOYSA-N 1 2 417.506 2.317 20 0 HEADLO CCOC(=O)N1CCN(C(=O)N[C@@H](c2ccc(Cl)cc2)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000766322621 1077716788 /nfs/dbraw/zinc/71/67/88/1077716788.db2.gz SVWGABJBKZLNNH-ROUUACIJSA-N 1 2 424.929 2.195 20 0 HEADLO CCOC(=O)N1CCN(C(=O)N[C@@H](c2ccc(Cl)cc2)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000766322621 1077716800 /nfs/dbraw/zinc/71/68/00/1077716800.db2.gz SVWGABJBKZLNNH-ROUUACIJSA-N 1 2 424.929 2.195 20 0 HEADLO CCOC(=O)N1CCN(C(=O)N[C@H](c2ccc(Cl)cc2)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000766322624 1077716860 /nfs/dbraw/zinc/71/68/60/1077716860.db2.gz SVWGABJBKZLNNH-ZWKOTPCHSA-N 1 2 424.929 2.195 20 0 HEADLO CCOC(=O)N1CCN(C(=O)N[C@H](c2ccc(Cl)cc2)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000766322624 1077716871 /nfs/dbraw/zinc/71/68/71/1077716871.db2.gz SVWGABJBKZLNNH-ZWKOTPCHSA-N 1 2 424.929 2.195 20 0 HEADLO CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H](C)OC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC000745099397 1077730522 /nfs/dbraw/zinc/73/05/22/1077730522.db2.gz IPCKBJADDYZCHF-BHIYHBOVSA-N 1 2 404.507 2.413 20 0 HEADLO CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H](C)OC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC000745099397 1077730529 /nfs/dbraw/zinc/73/05/29/1077730529.db2.gz IPCKBJADDYZCHF-BHIYHBOVSA-N 1 2 404.507 2.413 20 0 HEADLO CC[N@H+](C)[C@@H](C(=O)OCCN1C(=O)c2ccccc2S1(=O)=O)c1ccccc1 ZINC000745103089 1077733225 /nfs/dbraw/zinc/73/32/25/1077733225.db2.gz ZNECXKJKTGGMHB-GOSISDBHSA-N 1 2 402.472 2.067 20 0 HEADLO CC[N@@H+](C)[C@@H](C(=O)OCCN1C(=O)c2ccccc2S1(=O)=O)c1ccccc1 ZINC000745103089 1077733234 /nfs/dbraw/zinc/73/32/34/1077733234.db2.gz ZNECXKJKTGGMHB-GOSISDBHSA-N 1 2 402.472 2.067 20 0 HEADLO CN(CCOc1ccc(Br)cc1)C(=O)COC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000745080536 1077734442 /nfs/dbraw/zinc/73/44/42/1077734442.db2.gz SXCLVQULKSBCRG-INIZCTEOSA-N 1 2 413.312 2.314 20 0 HEADLO CN(CCOc1ccc(Br)cc1)C(=O)COC(=O)[C@@H]1CCCC[N@H+]1C ZINC000745080536 1077734453 /nfs/dbraw/zinc/73/44/53/1077734453.db2.gz SXCLVQULKSBCRG-INIZCTEOSA-N 1 2 413.312 2.314 20 0 HEADLO COc1ccc([C@H]2CCCN2C(=O)COC(=O)C[N@H+](C)[C@H]2CCSC2)cc1OC ZINC000767113568 1079667183 /nfs/dbraw/zinc/66/71/83/1079667183.db2.gz WKEVZQCLDAVLRX-DLBZAZTESA-N 1 2 422.547 2.348 20 0 HEADLO COc1ccc([C@H]2CCCN2C(=O)COC(=O)C[N@@H+](C)[C@H]2CCSC2)cc1OC ZINC000767113568 1079667188 /nfs/dbraw/zinc/66/71/88/1079667188.db2.gz WKEVZQCLDAVLRX-DLBZAZTESA-N 1 2 422.547 2.348 20 0 HEADLO CN(Cc1cc(Br)cs1)C(=O)COC(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000767115277 1079682176 /nfs/dbraw/zinc/68/21/76/1079682176.db2.gz HFZPVSRYRYTTFZ-GFCCVEGCSA-N 1 2 421.382 2.450 20 0 HEADLO CN(Cc1cc(Br)cs1)C(=O)COC(=O)C[N@@H+](C)[C@@H]1CCSC1 ZINC000767115277 1079682194 /nfs/dbraw/zinc/68/21/94/1079682194.db2.gz HFZPVSRYRYTTFZ-GFCCVEGCSA-N 1 2 421.382 2.450 20 0 HEADLO COc1ccc(CN(C)C(=O)[C@@H](C)OC(=O)C[N@H+](C)[C@H]2CCSC2)cc1OC ZINC000767115007 1079683793 /nfs/dbraw/zinc/68/37/93/1079683793.db2.gz GMLSPVLIURLGQV-ZBFHGGJFSA-N 1 2 410.536 2.031 20 0 HEADLO COc1ccc(CN(C)C(=O)[C@@H](C)OC(=O)C[N@@H+](C)[C@H]2CCSC2)cc1OC ZINC000767115007 1079683809 /nfs/dbraw/zinc/68/38/09/1079683809.db2.gz GMLSPVLIURLGQV-ZBFHGGJFSA-N 1 2 410.536 2.031 20 0 HEADLO C[C@H](CONC(=O)CC[NH+]1CCN(c2ccccc2)CC1)NC(=O)OC(C)(C)C ZINC000767177435 1079711130 /nfs/dbraw/zinc/71/11/30/1079711130.db2.gz JONDGDPBQMUHST-QGZVFWFLSA-N 1 2 406.527 2.160 20 0 HEADLO CCOC(=O)c1sc2nc(C[NH+]3CCC(c4nnc[nH]4)CC3)nc(N)c2c1C ZINC000772204369 1079764321 /nfs/dbraw/zinc/76/43/21/1079764321.db2.gz PTTUYSOWHWKMMM-UHFFFAOYSA-N 1 2 401.496 2.256 20 0 HEADLO COc1ccc(-c2nnc(C[NH+]3CCC(Oc4ccnc(C(N)=O)c4)CC3)o2)cc1 ZINC000772333240 1079827825 /nfs/dbraw/zinc/82/78/25/1079827825.db2.gz PZBIKTHXLZXDHM-UHFFFAOYSA-N 1 2 409.446 2.283 20 0 HEADLO COc1ccc(NC(=O)C[NH+]2CCC(Oc3ccnc(C(N)=O)c3)CC2)cc1Cl ZINC000772346748 1079835448 /nfs/dbraw/zinc/83/54/48/1079835448.db2.gz QSTPDBSLBJFLAU-UHFFFAOYSA-N 1 2 418.881 2.324 20 0 HEADLO C[C@@H]1CCCN(S(=O)(=O)c2ccc(C(=O)OCC[N@H+]3C[C@H]4CC[C@@H](C3)O4)cc2)C1 ZINC000767453454 1079881344 /nfs/dbraw/zinc/88/13/44/1079881344.db2.gz YSIPNKJCNKWGPP-QRQLOZEOSA-N 1 2 422.547 2.127 20 0 HEADLO C[C@@H]1CCCN(S(=O)(=O)c2ccc(C(=O)OCC[N@@H+]3C[C@H]4CC[C@@H](C3)O4)cc2)C1 ZINC000767453454 1079881346 /nfs/dbraw/zinc/88/13/46/1079881346.db2.gz YSIPNKJCNKWGPP-QRQLOZEOSA-N 1 2 422.547 2.127 20 0 HEADLO Cc1cnn(-c2ccc(C)cc2NC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)c1 ZINC000772459000 1079887583 /nfs/dbraw/zinc/88/75/83/1079887583.db2.gz OKHWFQOYLGRAMA-UHFFFAOYSA-N 1 2 419.551 2.120 20 0 HEADLO COc1c(C)c[nH+]c(CNC(=O)Nc2c(C)nn([C@H]3CCS(=O)(=O)C3)c2C)c1C ZINC000772519444 1079910942 /nfs/dbraw/zinc/91/09/42/1079910942.db2.gz BYGFRWWUMJRIME-HNNXBMFYSA-N 1 2 421.523 2.202 20 0 HEADLO COc1cc(C)c(C[NH+]2CCN(C(=O)COC(=O)Cc3ccco3)CC2)cc1OC ZINC000767509274 1079911457 /nfs/dbraw/zinc/91/14/57/1079911457.db2.gz AJAXHTJUQPOEQU-UHFFFAOYSA-N 1 2 416.474 2.035 20 0 HEADLO O=C(OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)[C@@H]1CCCN(c2ncnc3sccc32)C1 ZINC000767560394 1079932723 /nfs/dbraw/zinc/93/27/23/1079932723.db2.gz UONBYAGDIUXCAA-OAGGEKHMSA-N 1 2 402.520 2.314 20 0 HEADLO O=C(OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)[C@@H]1CCCN(c2ncnc3sccc32)C1 ZINC000767560394 1079932743 /nfs/dbraw/zinc/93/27/43/1079932743.db2.gz UONBYAGDIUXCAA-OAGGEKHMSA-N 1 2 402.520 2.314 20 0 HEADLO Cc1cc(C)cc(NC(=O)COC(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)c1 ZINC000767535197 1079935051 /nfs/dbraw/zinc/93/50/51/1079935051.db2.gz CZMXUJPWBLZJIN-UHFFFAOYSA-N 1 2 424.501 2.309 20 0 HEADLO C[C@@H](OC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1)C(=O)N(C)c1ccccc1 ZINC000767540287 1079941939 /nfs/dbraw/zinc/94/19/39/1079941939.db2.gz WYSDLFIHVWGTGR-GOSISDBHSA-N 1 2 424.501 2.105 20 0 HEADLO Cc1ccc(C(=O)COC(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)s1 ZINC000767540665 1079945830 /nfs/dbraw/zinc/94/58/30/1079945830.db2.gz YIJDULJBRSVSEX-UHFFFAOYSA-N 1 2 401.488 2.306 20 0 HEADLO O=C(OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccc(Br)cc1-n1cncn1 ZINC000767577632 1079964494 /nfs/dbraw/zinc/96/44/94/1079964494.db2.gz DGLIKGMXTBHSOF-OKILXGFUSA-N 1 2 407.268 2.050 20 0 HEADLO O=C(OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccc(Br)cc1-n1cncn1 ZINC000767577632 1079964502 /nfs/dbraw/zinc/96/45/02/1079964502.db2.gz DGLIKGMXTBHSOF-OKILXGFUSA-N 1 2 407.268 2.050 20 0 HEADLO CC(C)(C)OC(=O)N1CC[C@H](N(C(=O)NCC[N@@H+]2CCOCC2(C)C)C2CC2)C1 ZINC000772599573 1080001934 /nfs/dbraw/zinc/00/19/34/1080001934.db2.gz IJNQJQLHXMFYGE-KRWDZBQOSA-N 1 2 410.559 2.281 20 0 HEADLO CC(C)(C)OC(=O)N1CC[C@H](N(C(=O)NCC[N@H+]2CCOCC2(C)C)C2CC2)C1 ZINC000772599573 1080001947 /nfs/dbraw/zinc/00/19/47/1080001947.db2.gz IJNQJQLHXMFYGE-KRWDZBQOSA-N 1 2 410.559 2.281 20 0 HEADLO CCC(CC)[C@@H](CNS(=O)(=O)c1cnc(Cl)c(OC)c1)[NH+]1CCOCC1 ZINC000767697875 1080028808 /nfs/dbraw/zinc/02/88/08/1080028808.db2.gz FDVRUVBDQSSRAI-OAHLLOKOSA-N 1 2 405.948 2.159 20 0 HEADLO COc1cc(NC(=O)C[NH+]2CCC(N(C)CC(F)F)CC2)cc(OC)c1OC ZINC000746485605 1080039137 /nfs/dbraw/zinc/03/91/37/1080039137.db2.gz YZDDKWXJJNWGLI-UHFFFAOYSA-N 1 2 401.454 2.312 20 0 HEADLO Cc1ccc(N(C(=O)C[N@H+](C)CC2CCOCC2)[C@@H]2C=CS(=O)(=O)C2)cc1C ZINC000767709036 1080043507 /nfs/dbraw/zinc/04/35/07/1080043507.db2.gz UBDXASDJDGGFFT-HXUWFJFHSA-N 1 2 406.548 2.306 20 0 HEADLO Cc1ccc(N(C(=O)C[N@@H+](C)CC2CCOCC2)[C@@H]2C=CS(=O)(=O)C2)cc1C ZINC000767709036 1080043517 /nfs/dbraw/zinc/04/35/17/1080043517.db2.gz UBDXASDJDGGFFT-HXUWFJFHSA-N 1 2 406.548 2.306 20 0 HEADLO COC(=O)c1cc(C(=O)N2CC[NH2+][C@@H](c3cccc(OC)c3)C2)n(-c2ccccc2)n1 ZINC001169973019 1080051168 /nfs/dbraw/zinc/05/11/68/1080051168.db2.gz AFHIZXPMLTVHNP-HXUWFJFHSA-N 1 2 420.469 2.454 20 0 HEADLO COc1c(C)cnc(C[NH+]2CCN(c3ccc(NS(C)(=O)=O)cc3)CC2)c1C ZINC000767749103 1080066674 /nfs/dbraw/zinc/06/66/74/1080066674.db2.gz HUIRBLCKRTXCGX-UHFFFAOYSA-N 1 2 404.536 2.401 20 0 HEADLO COC(=O)CCc1c(C)nc2c(c(=O)n(C[N@@H+]3CCC[C@H]3CSC)n2C)c1C ZINC000767771884 1080079622 /nfs/dbraw/zinc/07/96/22/1080079622.db2.gz UDQMHCBBRDYCSA-HNNXBMFYSA-N 1 2 406.552 2.242 20 0 HEADLO COC(=O)CCc1c(C)nc2c(c(=O)n(C[N@H+]3CCC[C@H]3CSC)n2C)c1C ZINC000767771884 1080079630 /nfs/dbraw/zinc/07/96/30/1080079630.db2.gz UDQMHCBBRDYCSA-HNNXBMFYSA-N 1 2 406.552 2.242 20 0 HEADLO CC[C@]1(c2ccc(OC)cc2)NC(=O)N(C[N@@H+]2CCS[C@@H]3COCC[C@@H]32)C1=O ZINC000767784073 1080091625 /nfs/dbraw/zinc/09/16/25/1080091625.db2.gz BBKMVIIESAMYAI-SQGPQFPESA-N 1 2 405.520 2.016 20 0 HEADLO CC[C@]1(c2ccc(OC)cc2)NC(=O)N(C[N@H+]2CCS[C@@H]3COCC[C@@H]32)C1=O ZINC000767784073 1080091635 /nfs/dbraw/zinc/09/16/35/1080091635.db2.gz BBKMVIIESAMYAI-SQGPQFPESA-N 1 2 405.520 2.016 20 0 HEADLO C[C@H](NS(=O)(=O)c1ccc(C2(C)OCCO2)cc1)C1([NH+]2CCOCC2)CCCC1 ZINC000767821279 1080130548 /nfs/dbraw/zinc/13/05/48/1080130548.db2.gz IFTFBXSGPRFSFG-KRWDZBQOSA-N 1 2 424.563 2.218 20 0 HEADLO COc1cc(S(=O)(=O)N[C@H](C)C2([NH+]3CCOCC3)CCCC2)cnc1Cl ZINC000767822291 1080131873 /nfs/dbraw/zinc/13/18/73/1080131873.db2.gz MOHCWLBHYYHDER-CYBMUJFWSA-N 1 2 403.932 2.055 20 0 HEADLO O=C(OCc1nc(-c2ccccc2)cs1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000785656174 1080175235 /nfs/dbraw/zinc/17/52/35/1080175235.db2.gz JMGSHLVVFFLPDF-QGZVFWFLSA-N 1 2 415.515 2.034 20 0 HEADLO COCCN(CC(=O)N1CC[NH2+][C@@H](c2cccc(OC)c2)C1)C(=O)OC(C)(C)C ZINC001169976657 1080175286 /nfs/dbraw/zinc/17/52/86/1080175286.db2.gz WRZVSPHXOQPAET-GOSISDBHSA-N 1 2 407.511 2.052 20 0 HEADLO C[C@@H](OC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc(OC(F)F)cc1 ZINC000785656554 1080177825 /nfs/dbraw/zinc/17/78/25/1080177825.db2.gz CQZAUMYEUVDUBI-GDBMZVCRSA-N 1 2 412.433 2.073 20 0 HEADLO Cc1ccc(SCCOC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1C ZINC000785657964 1080178937 /nfs/dbraw/zinc/17/89/37/1080178937.db2.gz IPHACOWNTFOUFN-SFHVURJKSA-N 1 2 406.548 2.119 20 0 HEADLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)NCC(F)(F)CNC(=O)OC(C)(C)C)C1 ZINC000767861233 1080183254 /nfs/dbraw/zinc/18/32/54/1080183254.db2.gz ONQVKLIWSMEMJP-ZDUSSCGKSA-N 1 2 401.458 2.469 20 0 HEADLO C[C@H](CCSc1ccccc1)OC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000785664487 1080185804 /nfs/dbraw/zinc/18/58/04/1080185804.db2.gz SSHBWNYGFQGBJQ-QZTJIDSGSA-N 1 2 406.548 2.281 20 0 HEADLO COc1ccc(C(=O)NCc2ccccc2OCC[NH+]2CCOCC2)nc1Cl ZINC000767882024 1080200149 /nfs/dbraw/zinc/20/01/49/1080200149.db2.gz GQNZOYOLYVUTHT-UHFFFAOYSA-N 1 2 405.882 2.385 20 0 HEADLO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)OCC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000785731513 1080204975 /nfs/dbraw/zinc/20/49/75/1080204975.db2.gz XNHZTGSKKJZJRN-IYBDPMFKSA-N 1 2 408.520 2.070 20 0 HEADLO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)OCC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000785731513 1080204985 /nfs/dbraw/zinc/20/49/85/1080204985.db2.gz XNHZTGSKKJZJRN-IYBDPMFKSA-N 1 2 408.520 2.070 20 0 HEADLO CCOc1ccc(NC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)c2ncccc12 ZINC000767933625 1080229743 /nfs/dbraw/zinc/22/97/43/1080229743.db2.gz FMAITBNHVUXWIJ-UHFFFAOYSA-N 1 2 420.535 2.264 20 0 HEADLO COCCOC(=O)c1sc2[nH]c(C[N@@H+]3CCCC[C@H](COC)C3)nc(=O)c2c1C ZINC000767946521 1080237608 /nfs/dbraw/zinc/23/76/08/1080237608.db2.gz FCAKZHLSZOLXRN-AWEZNQCLSA-N 1 2 423.535 2.345 20 0 HEADLO COCCOC(=O)c1sc2[nH]c(C[N@H+]3CCCC[C@H](COC)C3)nc(=O)c2c1C ZINC000767946521 1080237617 /nfs/dbraw/zinc/23/76/17/1080237617.db2.gz FCAKZHLSZOLXRN-AWEZNQCLSA-N 1 2 423.535 2.345 20 0 HEADLO C[C@](O)(C[N@@H+]1CCC[C@@H](Oc2ncccc2F)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000785837522 1080265490 /nfs/dbraw/zinc/26/54/90/1080265490.db2.gz JIQPHCLRJVMRET-UZLBHIALSA-N 1 2 408.495 2.375 20 0 HEADLO C[C@](O)(C[N@H+]1CCC[C@@H](Oc2ncccc2F)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000785837522 1080265498 /nfs/dbraw/zinc/26/54/98/1080265498.db2.gz JIQPHCLRJVMRET-UZLBHIALSA-N 1 2 408.495 2.375 20 0 HEADLO CCOC(=O)C1=NN(c2ccccc2)[C@H](C(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)C1 ZINC000768147524 1080354602 /nfs/dbraw/zinc/35/46/02/1080354602.db2.gz FWNVFBHKPGCYDM-APWZRJJASA-N 1 2 409.490 2.324 20 0 HEADLO CN(C)S(=O)(=O)c1cc(C(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)ccc1Cl ZINC000768148362 1080355083 /nfs/dbraw/zinc/35/50/83/1080355083.db2.gz SXBLQJBJJVCSSM-AWEZNQCLSA-N 1 2 410.927 2.344 20 0 HEADLO CC(=O)N1CCC([NH+]2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)CC1 ZINC000768151137 1080371652 /nfs/dbraw/zinc/37/16/52/1080371652.db2.gz FGGHZEXMHFQCPE-UHFFFAOYSA-N 1 2 401.532 2.157 20 0 HEADLO CCN(CC)S(=O)(=O)N1CC[NH+](Cc2c(C)nn(-c3ccccc3)c2C)CC1 ZINC000768217435 1080421498 /nfs/dbraw/zinc/42/14/98/1080421498.db2.gz OYGUNSXCEMGXHJ-UHFFFAOYSA-N 1 2 405.568 2.193 20 0 HEADLO O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)Nc1cccc(Br)n1 ZINC000786152585 1080427011 /nfs/dbraw/zinc/42/70/11/1080427011.db2.gz ZETSGCUYYMXZPW-OAHLLOKOSA-N 1 2 401.330 2.174 20 0 HEADLO COC(=O)CCc1cccc(NC(=O)C(=O)NCc2ccccc2Cn2cc[nH+]c2)c1 ZINC000786270271 1080519646 /nfs/dbraw/zinc/51/96/46/1080519646.db2.gz UYHJEEMLEFCEPD-UHFFFAOYSA-N 1 2 420.469 2.292 20 0 HEADLO CN(C)S(=O)(=O)c1ccc2c(c1)oc(=O)n2C[NH+]1CCC(c2cccnc2)CC1 ZINC000768460921 1080582150 /nfs/dbraw/zinc/58/21/50/1080582150.db2.gz WUVKCBYTIASDJG-UHFFFAOYSA-N 1 2 416.503 2.077 20 0 HEADLO Cc1cccc(OCCNC(=O)N2CC[N@@H+](C)C[C@H]2CNC(=O)OC(C)(C)C)c1 ZINC000768496987 1080592282 /nfs/dbraw/zinc/59/22/82/1080592282.db2.gz GKDWSHNFTGOEHE-QGZVFWFLSA-N 1 2 406.527 2.224 20 0 HEADLO Cc1cccc(OCCNC(=O)N2CC[N@H+](C)C[C@H]2CNC(=O)OC(C)(C)C)c1 ZINC000768496987 1080592289 /nfs/dbraw/zinc/59/22/89/1080592289.db2.gz GKDWSHNFTGOEHE-QGZVFWFLSA-N 1 2 406.527 2.224 20 0 HEADLO CC(C)[C@H](CNC(=O)C(=O)N1CCC(c2cccc(F)c2)CC1)[NH+]1CCOCC1 ZINC000786462714 1080642757 /nfs/dbraw/zinc/64/27/57/1080642757.db2.gz KFFCMXCUPRPRMR-FQEVSTJZSA-N 1 2 405.514 2.005 20 0 HEADLO O=C(COC(=O)[C@H](O)c1ccccc1Cl)N1CC[NH+](Cc2cccs2)CC1 ZINC000768599507 1080677177 /nfs/dbraw/zinc/67/71/77/1080677177.db2.gz OUUSDDOEBYJQFL-GOSISDBHSA-N 1 2 408.907 2.323 20 0 HEADLO O=C(NCCc1cn2c([nH+]1)CCCC2)C(=O)Nc1cnn(-c2ccccc2Cl)c1 ZINC000768706595 1080723186 /nfs/dbraw/zinc/72/31/86/1080723186.db2.gz CGDWEOYXJRSKRJ-UHFFFAOYSA-N 1 2 412.881 2.356 20 0 HEADLO CN(CC[N@H+](C)CC(=O)Nc1cccc(C(=O)NC2CC2)c1)C(=O)OC(C)(C)C ZINC000768741715 1080766340 /nfs/dbraw/zinc/76/63/40/1080766340.db2.gz RNUTZJKQPFJWCW-UHFFFAOYSA-N 1 2 404.511 2.316 20 0 HEADLO CN(CC[N@@H+](C)CC(=O)Nc1cccc(C(=O)NC2CC2)c1)C(=O)OC(C)(C)C ZINC000768741715 1080766346 /nfs/dbraw/zinc/76/63/46/1080766346.db2.gz RNUTZJKQPFJWCW-UHFFFAOYSA-N 1 2 404.511 2.316 20 0 HEADLO Cc1[nH+]cc(CN2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)n1-c1ccccc1 ZINC000768804029 1080781688 /nfs/dbraw/zinc/78/16/88/1080781688.db2.gz KBIZZZAKQYRMBU-UHFFFAOYSA-N 1 2 421.526 2.447 20 0 HEADLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)C(=O)NCc2ccccc2Br)C1 ZINC000786818684 1080843443 /nfs/dbraw/zinc/84/34/43/1080843443.db2.gz WHSQWIJGCJIWAC-AWEZNQCLSA-N 1 2 405.296 2.205 20 0 HEADLO Cc1cccn2c(CN(C)CC(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c[nH+]c12 ZINC000768993198 1080879110 /nfs/dbraw/zinc/87/91/10/1080879110.db2.gz WHVIMHWFVSSTDH-UHFFFAOYSA-N 1 2 401.511 2.154 20 0 HEADLO Cc1ccncc1/C=C\C(=O)OCC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000786912815 1080881498 /nfs/dbraw/zinc/88/14/98/1080881498.db2.gz GQNMNEOJAQNUND-HYXAFXHYSA-N 1 2 421.497 2.226 20 0 HEADLO Cc1ccncc1/C=C/C(=O)OCC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000786912814 1080881561 /nfs/dbraw/zinc/88/15/61/1080881561.db2.gz GQNMNEOJAQNUND-HWKANZROSA-N 1 2 421.497 2.226 20 0 HEADLO CC(C)(C)OC(=O)NCC(C)(C)NC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000769019071 1080885689 /nfs/dbraw/zinc/88/56/89/1080885689.db2.gz CNGKSHSRDJHAMK-GOSISDBHSA-N 1 2 420.554 2.490 20 0 HEADLO CC(C)(C)OC(=O)NCC(C)(C)NC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000769019071 1080885694 /nfs/dbraw/zinc/88/56/94/1080885694.db2.gz CNGKSHSRDJHAMK-GOSISDBHSA-N 1 2 420.554 2.490 20 0 HEADLO COC(=O)[C@@](C)(NC(=O)[C@H]1CCc2[nH+]ccn2C1)c1cccc(Br)c1 ZINC000786933991 1080898383 /nfs/dbraw/zinc/89/83/83/1080898383.db2.gz FECCLWNURVXGDW-SGTLLEGYSA-N 1 2 406.280 2.413 20 0 HEADLO O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)OCCCOc1ccc(Cl)cc1 ZINC000787002775 1080914824 /nfs/dbraw/zinc/91/48/24/1080914824.db2.gz WVBZJIBYBMHSGT-LJQANCHMSA-N 1 2 424.925 2.365 20 0 HEADLO Cn1c(CNC(=O)C[NH+]2CCC(NC(=O)OC(C)(C)C)CC2)nc2ccccc21 ZINC000769077874 1080928581 /nfs/dbraw/zinc/92/85/81/1080928581.db2.gz SMNZJRGNBLHPAE-UHFFFAOYSA-N 1 2 401.511 2.179 20 0 HEADLO CC(C)(C)OC(=O)NC1CC[NH+](CC(=O)Nc2ccc(-n3nccn3)cc2)CC1 ZINC000769120058 1080942924 /nfs/dbraw/zinc/94/29/24/1080942924.db2.gz OZHGSXARMPIVJN-UHFFFAOYSA-N 1 2 400.483 2.195 20 0 HEADLO COc1ccc2[nH]cc(CCNC(=O)C(=O)NCc3ccc(-n4cc[nH+]c4)cc3)c2c1 ZINC000787050451 1080971965 /nfs/dbraw/zinc/97/19/65/1080971965.db2.gz MMEJTASSZVKSPA-UHFFFAOYSA-N 1 2 417.469 2.337 20 0 HEADLO CC(C)CNC(=O)c1ccccc1NC(=O)C[N@@H+]1CCOC2(CCOCC2)CC1 ZINC000769228806 1081008891 /nfs/dbraw/zinc/00/88/91/1081008891.db2.gz SMVZBDZEAFBCMD-UHFFFAOYSA-N 1 2 403.523 2.282 20 0 HEADLO CC(C)CNC(=O)c1ccccc1NC(=O)C[N@H+]1CCOC2(CCOCC2)CC1 ZINC000769228806 1081008896 /nfs/dbraw/zinc/00/88/96/1081008896.db2.gz SMVZBDZEAFBCMD-UHFFFAOYSA-N 1 2 403.523 2.282 20 0 HEADLO CC(C)(NC(=O)NCc1ccccc1OCC[NH+]1CCOCC1)C1CCOCC1 ZINC000787096906 1081011272 /nfs/dbraw/zinc/01/12/72/1081011272.db2.gz DVVCDAITWKYOJV-UHFFFAOYSA-N 1 2 405.539 2.402 20 0 HEADLO C[N@@H+]1CCN(C(=O)Nc2nnc(C(F)(F)F)s2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000769239085 1081012901 /nfs/dbraw/zinc/01/29/01/1081012901.db2.gz UAZNCWXDEAGIAW-VIFPVBQESA-N 1 2 424.449 2.230 20 0 HEADLO C[N@H+]1CCN(C(=O)Nc2nnc(C(F)(F)F)s2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000769239085 1081012909 /nfs/dbraw/zinc/01/29/09/1081012909.db2.gz UAZNCWXDEAGIAW-VIFPVBQESA-N 1 2 424.449 2.230 20 0 HEADLO CC(=O)CC1(C(=O)OCC(=O)N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)CCC1 ZINC000769254805 1081017951 /nfs/dbraw/zinc/01/79/51/1081017951.db2.gz QZFYHDXRGMRVGG-UHFFFAOYSA-N 1 2 416.522 2.250 20 0 HEADLO C[C@@H]1C[C@@H](C)CN(C(=O)CN2CC[NH+]([C@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)C1 ZINC000769284169 1081031101 /nfs/dbraw/zinc/03/11/01/1081031101.db2.gz HKBAINWMCBQZMC-QRVBRYPASA-N 1 2 408.587 2.118 20 0 HEADLO CC(C)(C)OC(=O)N[C@@H]1CCC[N@@H+]([C@H]2CC(=O)N(CCc3ccccc3F)C2=O)C1 ZINC000787162154 1081039793 /nfs/dbraw/zinc/03/97/93/1081039793.db2.gz IAJFYRGBMAZDIW-AEFFLSMTSA-N 1 2 419.497 2.485 20 0 HEADLO CC(C)(C)OC(=O)N[C@@H]1CCC[N@H+]([C@H]2CC(=O)N(CCc3ccccc3F)C2=O)C1 ZINC000787162154 1081039798 /nfs/dbraw/zinc/03/97/98/1081039798.db2.gz IAJFYRGBMAZDIW-AEFFLSMTSA-N 1 2 419.497 2.485 20 0 HEADLO C[C@@H](c1cccnc1)N1C(=O)C[C@H]([N@@H+]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)C1=O ZINC000787163419 1081040599 /nfs/dbraw/zinc/04/05/99/1081040599.db2.gz QCBKKRAFBAVAMS-UAGQMJEPSA-N 1 2 402.495 2.259 20 0 HEADLO C[C@@H](c1cccnc1)N1C(=O)C[C@H]([N@H+]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)C1=O ZINC000787163419 1081040610 /nfs/dbraw/zinc/04/06/10/1081040610.db2.gz QCBKKRAFBAVAMS-UAGQMJEPSA-N 1 2 402.495 2.259 20 0 HEADLO CN(C)C(=O)COc1ccc(C(F)(F)C(=O)NCc2ccn3cc[nH+]c3c2)cc1 ZINC000769387625 1081060342 /nfs/dbraw/zinc/06/03/42/1081060342.db2.gz XFRUFLGJNCBZIZ-UHFFFAOYSA-N 1 2 402.401 2.210 20 0 HEADLO Cc1nn(C)c(N2CCOCC2)c1C[NH+]1C[C@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000769388320 1081060568 /nfs/dbraw/zinc/06/05/68/1081060568.db2.gz LLQAXMQISAGGSI-HOTGVXAUSA-N 1 2 407.559 2.395 20 0 HEADLO COC(=O)c1cccc(NC(=O)C[N@@H+]2CCC[C@H](C)[C@H]2CNC(=O)OC(C)(C)C)n1 ZINC000787254596 1081072779 /nfs/dbraw/zinc/07/27/79/1081072779.db2.gz FHLCNXNOBNALAO-GOEBONIOSA-N 1 2 420.510 2.432 20 0 HEADLO COC(=O)c1cccc(NC(=O)C[N@H+]2CCC[C@H](C)[C@H]2CNC(=O)OC(C)(C)C)n1 ZINC000787254596 1081072785 /nfs/dbraw/zinc/07/27/85/1081072785.db2.gz FHLCNXNOBNALAO-GOEBONIOSA-N 1 2 420.510 2.432 20 0 HEADLO C[S@@](=O)CC[NH+]1CCN(Cc2cnn(-c3ccc(Br)cc3)c2)CC1 ZINC000769482058 1081078546 /nfs/dbraw/zinc/07/85/46/1081078546.db2.gz YDIKTAUNRYFWHV-XMMPIXPASA-N 1 2 411.369 2.131 20 0 HEADLO COC(=O)c1cccc(NC(=O)C[NH+]2CCC([C@@H](C)NC(=O)OC(C)(C)C)CC2)n1 ZINC000787236581 1081083554 /nfs/dbraw/zinc/08/35/54/1081083554.db2.gz JDFPYJVCHJHYMA-CQSZACIVSA-N 1 2 420.510 2.432 20 0 HEADLO COC(=O)c1cccc(NC(=O)C[NH+]2CCC(N(C)C(=O)OC(C)(C)C)CC2)n1 ZINC000787237233 1081084309 /nfs/dbraw/zinc/08/43/09/1081084309.db2.gz QSHAGUCOOAYFLJ-UHFFFAOYSA-N 1 2 406.483 2.138 20 0 HEADLO COc1cc(CNC(=O)C(=O)N2CCC(n3cc[nH+]c3)CC2)ccc1OC(C)C ZINC000787239975 1081085341 /nfs/dbraw/zinc/08/53/41/1081085341.db2.gz NUVTXNAFXXWUQL-UHFFFAOYSA-N 1 2 400.479 2.159 20 0 HEADLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)C(=O)N1CCC[C@@H]1C[C@H](O)c1ccco1 ZINC000787298833 1081097852 /nfs/dbraw/zinc/09/78/52/1081097852.db2.gz QFQINDPQWKTBSD-UXHICEINSA-N 1 2 422.485 2.255 20 0 HEADLO CC[C@@H]1C[N@H+](CC(=O)Nc2cccc(C(=O)OC)n2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000787271246 1081102979 /nfs/dbraw/zinc/10/29/79/1081102979.db2.gz QDPGCIJFLRBDLT-HUUCEWRRSA-N 1 2 420.510 2.432 20 0 HEADLO CC[C@@H]1C[N@@H+](CC(=O)Nc2cccc(C(=O)OC)n2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000787271246 1081102982 /nfs/dbraw/zinc/10/29/82/1081102982.db2.gz QDPGCIJFLRBDLT-HUUCEWRRSA-N 1 2 420.510 2.432 20 0 HEADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cnc(Cl)nc1SC ZINC001164697858 719854243 /nfs/dbraw/zinc/85/42/43/719854243.db2.gz BIHBDOPXFVVOBK-YVEFUNNKSA-N 1 2 400.932 2.085 20 0 HEADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncc2c(n1)-c1ccccc1CC2 ZINC001164707418 719863835 /nfs/dbraw/zinc/86/38/35/719863835.db2.gz SEXZGGQZBMVRFF-YADARESESA-N 1 2 422.529 2.475 20 0 HEADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(Cl)cnc1SC ZINC001164708173 719866209 /nfs/dbraw/zinc/86/62/09/719866209.db2.gz XXLOYVPBUZUWHY-YVEFUNNKSA-N 1 2 400.932 2.085 20 0 HEADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc(C)nc(-c2ccccn2)n1 ZINC001164708192 719867466 /nfs/dbraw/zinc/86/74/66/719867466.db2.gz YIXNSMNSZVGGDM-VGOFRKELSA-N 1 2 411.506 2.080 20 0 HEADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc(C)nc(-c2ccccn2)n1 ZINC001164708191 719867549 /nfs/dbraw/zinc/86/75/49/719867549.db2.gz YIXNSMNSZVGGDM-JTSKRJEESA-N 1 2 411.506 2.080 20 0 HEADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc(-c2ccncc2)nc(C)n1 ZINC001164706120 719872163 /nfs/dbraw/zinc/87/21/63/719872163.db2.gz OUEICQLZSDPIOI-XMSQKQJNSA-N 1 2 411.506 2.080 20 0 HEADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc(SC)nc(SC)n1 ZINC001164700804 719879115 /nfs/dbraw/zinc/87/91/15/719879115.db2.gz LYLBJYGKKSLOGR-FZKQIMNGSA-N 1 2 412.581 2.153 20 0 HEADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc2c(nc1Cl)CCCC2 ZINC001164702247 719879362 /nfs/dbraw/zinc/87/93/62/719879362.db2.gz PRLAQTWHTXNYFP-XOBRGWDASA-N 1 2 408.930 2.242 20 0 HEADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4cc5c(nn4)CCC5)CC3)C2=O)cs1 ZINC001164825868 720382847 /nfs/dbraw/zinc/38/28/47/720382847.db2.gz VTPHNIFQYLNHJF-UHFFFAOYSA-N 1 2 412.563 2.043 20 0 HEADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4cc5c(nn4)CCC5)CC3)C2=O)cs1 ZINC001164825868 720382853 /nfs/dbraw/zinc/38/28/53/720382853.db2.gz VTPHNIFQYLNHJF-UHFFFAOYSA-N 1 2 412.563 2.043 20 0 HEADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1nc(Cl)ccc1F)C2 ZINC001164821963 720439984 /nfs/dbraw/zinc/43/99/84/720439984.db2.gz BHYXIXYYZBVBLF-CQSZACIVSA-N 1 2 409.893 2.060 20 0 HEADLO Cc1cc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)ncc1Cl ZINC001164823428 720441106 /nfs/dbraw/zinc/44/11/06/720441106.db2.gz JRGHJSDZFMNIOX-MRXNPFEDSA-N 1 2 405.930 2.230 20 0 HEADLO Cc1ccc2ncnc(N3Cc4ncn(C)c4[C@H](COCC[NH+]4CCOCC4)C3)c2c1 ZINC001164825265 720441430 /nfs/dbraw/zinc/44/14/30/720441430.db2.gz QWZPKWSTUPYPMN-SFHVURJKSA-N 1 2 422.533 2.124 20 0 HEADLO Cc1cccc2ncnc(N3Cc4ncn(C)c4[C@H](COCC[NH+]4CCOCC4)C3)c12 ZINC001164830631 720455570 /nfs/dbraw/zinc/45/55/70/720455570.db2.gz KMAFBVPWSRGQMQ-SFHVURJKSA-N 1 2 422.533 2.124 20 0 HEADLO Cc1cc2ccncc2nc1N1Cc2ncn(C)c2[C@H](COCC[NH+]2CCOCC2)C1 ZINC001164833525 720477862 /nfs/dbraw/zinc/47/78/62/720477862.db2.gz PQLDJWLESCERRM-IBGZPJMESA-N 1 2 422.533 2.124 20 0 HEADLO O=c1cc(Cn2cc[nH+]c2)nc2n1CCCN([C@H](F)Oc1ccc(Cl)nc1)C2 ZINC001164858662 720895872 /nfs/dbraw/zinc/89/58/72/720895872.db2.gz NBRPSLNUHPPRGP-SFHVURJKSA-N 1 2 404.833 2.074 20 0 HEADLO CCOC(=O)c1cnc(N2CCCn3c(C[N@H+](C)C(C)C)nnc3C2)cc1OCC ZINC001165011807 721703295 /nfs/dbraw/zinc/70/32/95/721703295.db2.gz ZHTQGWXUKIRYAM-UHFFFAOYSA-N 1 2 416.526 2.499 20 0 HEADLO CCOC(=O)c1cnc(N2CCCn3c(C[N@@H+](C)C(C)C)nnc3C2)cc1OCC ZINC001165011807 721703300 /nfs/dbraw/zinc/70/33/00/721703300.db2.gz ZHTQGWXUKIRYAM-UHFFFAOYSA-N 1 2 416.526 2.499 20 0 HEADLO Cc1nc(Cl)nc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c1C ZINC001164911814 721767228 /nfs/dbraw/zinc/76/72/28/721767228.db2.gz SBRIBBJXFPPDBV-FQEVSTJZSA-N 1 2 403.914 2.250 20 0 HEADLO Cc1nc(Cl)nc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c1C ZINC001164911814 721767230 /nfs/dbraw/zinc/76/72/30/721767230.db2.gz SBRIBBJXFPPDBV-FQEVSTJZSA-N 1 2 403.914 2.250 20 0 HEADLO COc1cc(Cl)cnc1N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164912678 721772192 /nfs/dbraw/zinc/77/21/92/721772192.db2.gz OHELVBFSBMJOKC-FQEVSTJZSA-N 1 2 404.898 2.246 20 0 HEADLO COc1cc(Cl)cnc1N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164912678 721772193 /nfs/dbraw/zinc/77/21/93/721772193.db2.gz OHELVBFSBMJOKC-FQEVSTJZSA-N 1 2 404.898 2.246 20 0 HEADLO COc1cnc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c(Cl)c1 ZINC001164917494 721789797 /nfs/dbraw/zinc/78/97/97/721789797.db2.gz XTHAYTQVFPTSOQ-FQEVSTJZSA-N 1 2 404.898 2.246 20 0 HEADLO COc1cnc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c(Cl)c1 ZINC001164917494 721789802 /nfs/dbraw/zinc/78/98/02/721789802.db2.gz XTHAYTQVFPTSOQ-FQEVSTJZSA-N 1 2 404.898 2.246 20 0 HEADLO Fc1cnc2ccc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)nc2c1 ZINC001164914875 721791618 /nfs/dbraw/zinc/79/16/18/721791618.db2.gz GTYDATYRBLMXFO-QFIPXVFZSA-N 1 2 409.465 2.272 20 0 HEADLO Fc1cnc2ccc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)nc2c1 ZINC001164914875 721791622 /nfs/dbraw/zinc/79/16/22/721791622.db2.gz GTYDATYRBLMXFO-QFIPXVFZSA-N 1 2 409.465 2.272 20 0 HEADLO CSc1cnc(Cl)c(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164917511 721792647 /nfs/dbraw/zinc/79/26/47/721792647.db2.gz XYSHWYQVENTEGW-IBGZPJMESA-N 1 2 421.954 2.355 20 0 HEADLO CSc1cnc(Cl)c(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164917511 721792648 /nfs/dbraw/zinc/79/26/48/721792648.db2.gz XYSHWYQVENTEGW-IBGZPJMESA-N 1 2 421.954 2.355 20 0 HEADLO COC(=O)C[C@H]1CCCC[N@@H+]1CN1C(=O)C(=O)N(C23CC4CC(CC(C4)C2)C3)C1=O ZINC000745438559 1078480483 /nfs/dbraw/zinc/48/04/83/1078480483.db2.gz VQHNVVDRXAYHKC-GOWZHPGHSA-N 1 2 417.506 2.121 20 0 HEADLO COC(=O)C[C@H]1CCCC[N@H+]1CN1C(=O)C(=O)N(C23CC4CC(CC(C4)C2)C3)C1=O ZINC000745438559 1078480490 /nfs/dbraw/zinc/48/04/90/1078480490.db2.gz VQHNVVDRXAYHKC-GOWZHPGHSA-N 1 2 417.506 2.121 20 0 HEADLO COC(OC)c1ccc(C(=O)NCc2cccc(OCC[NH+]3CCOCC3)c2)o1 ZINC000769692354 1078521659 /nfs/dbraw/zinc/52/16/59/1078521659.db2.gz INRLNSCQECMBPH-UHFFFAOYSA-N 1 2 404.463 2.212 20 0 HEADLO C[C@H](C(=O)OCC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1)C(F)(F)F ZINC000745618960 1078561465 /nfs/dbraw/zinc/56/14/65/1078561465.db2.gz NSYUBEVEDSLQBO-CYBMUJFWSA-N 1 2 400.397 2.007 20 0 HEADLO CC(C)CNC(=O)NC(=O)C[NH+]1CCC(O)(c2ccccc2C(F)(F)F)CC1 ZINC000769827587 1078590275 /nfs/dbraw/zinc/59/02/75/1078590275.db2.gz ACSLUYJMGLUQNG-UHFFFAOYSA-N 1 2 401.429 2.471 20 0 HEADLO CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)C[N@@H+]2CC[C@@H](CC(F)(F)F)C2)C1=O ZINC000769846591 1078605394 /nfs/dbraw/zinc/60/53/94/1078605394.db2.gz PWYUZKYBLYBGGD-UGSOOPFHSA-N 1 2 412.412 2.149 20 0 HEADLO CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)C[N@H+]2CC[C@@H](CC(F)(F)F)C2)C1=O ZINC000769846591 1078605408 /nfs/dbraw/zinc/60/54/08/1078605408.db2.gz PWYUZKYBLYBGGD-UGSOOPFHSA-N 1 2 412.412 2.149 20 0 HEADLO C[C@@H]1CC[C@H](CCC(=O)OCC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)O1 ZINC000745703747 1078610003 /nfs/dbraw/zinc/61/00/03/1078610003.db2.gz IVQLLITWTQUFCI-YLJYHZDGSA-N 1 2 416.518 2.157 20 0 HEADLO CC(C)(C)OC(=O)NC[C@H]1CCCC[C@H]1NC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000745794047 1078650567 /nfs/dbraw/zinc/65/05/67/1078650567.db2.gz VAFNPIDYAWGBGR-IAGOWNOFSA-N 1 2 412.575 2.480 20 0 HEADLO CC(C)(C)OC(=O)NC[C@H]1CCCC[C@H]1NC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000745794047 1078650569 /nfs/dbraw/zinc/65/05/69/1078650569.db2.gz VAFNPIDYAWGBGR-IAGOWNOFSA-N 1 2 412.575 2.480 20 0 HEADLO C[C@H]1COCC[N@@H+]1CCNC(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC000745803256 1078653946 /nfs/dbraw/zinc/65/39/46/1078653946.db2.gz RFVQYGWQPXVZMD-FUHWJXTLSA-N 1 2 406.527 2.272 20 0 HEADLO C[C@H]1COCC[N@H+]1CCNC(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC000745803256 1078653948 /nfs/dbraw/zinc/65/39/48/1078653948.db2.gz RFVQYGWQPXVZMD-FUHWJXTLSA-N 1 2 406.527 2.272 20 0 HEADLO CC(C)(C)OC(=O)N1CC[C@@H](CCNC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)C1 ZINC000745807970 1078655565 /nfs/dbraw/zinc/65/55/65/1078655565.db2.gz HZZABFFSRUTEIU-QZTJIDSGSA-N 1 2 410.559 2.140 20 0 HEADLO CN(C)c1ccc([NH+]2CCC(NC(=O)N[C@@H]3CCC[C@H](S(C)(=O)=O)C3)CC2)cc1 ZINC000745836089 1078660422 /nfs/dbraw/zinc/66/04/22/1078660422.db2.gz BZWDHWYDRMDEOZ-XLIONFOSSA-N 1 2 422.595 2.376 20 0 HEADLO C[N@H+](CC(=O)Nc1ccccc1C(=O)NC1CC1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000745991332 1078722960 /nfs/dbraw/zinc/72/29/60/1078722960.db2.gz OFXDDLAJVILXPK-MRXNPFEDSA-N 1 2 416.522 2.459 20 0 HEADLO C[N@@H+](CC(=O)Nc1ccccc1C(=O)NC1CC1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000745991332 1078722963 /nfs/dbraw/zinc/72/29/63/1078722963.db2.gz OFXDDLAJVILXPK-MRXNPFEDSA-N 1 2 416.522 2.459 20 0 HEADLO CC(C)(C)[N@H+](CC(=O)Nc1ccc(F)cc1)CC(=O)N1CCC2(CC1)OCCO2 ZINC000770207695 1078787562 /nfs/dbraw/zinc/78/75/62/1078787562.db2.gz DWQWYIKCXMGSMR-UHFFFAOYSA-N 1 2 407.486 2.230 20 0 HEADLO CC(C)(C)[N@@H+](CC(=O)Nc1ccc(F)cc1)CC(=O)N1CCC2(CC1)OCCO2 ZINC000770207695 1078787573 /nfs/dbraw/zinc/78/75/73/1078787573.db2.gz DWQWYIKCXMGSMR-UHFFFAOYSA-N 1 2 407.486 2.230 20 0 HEADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N1CCC(C(=O)NCC(C)C)CC1 ZINC000770276813 1078803545 /nfs/dbraw/zinc/80/35/45/1078803545.db2.gz VEJDBOWJCJBCDW-UHFFFAOYSA-N 1 2 403.527 2.243 20 0 HEADLO C[C@@H](c1cccc(S(N)(=O)=O)c1)N(C)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000770365104 1078831153 /nfs/dbraw/zinc/83/11/53/1078831153.db2.gz WRDOJDXNTVDQRU-HNNXBMFYSA-N 1 2 413.503 2.422 20 0 HEADLO CCOC(=O)c1n[nH]c(C2CCN(C(=O)NCc3ccc(-n4cc[nH+]c4)cc3)CC2)n1 ZINC000770363684 1078831216 /nfs/dbraw/zinc/83/12/16/1078831216.db2.gz CVPPTQJAWXPZAD-UHFFFAOYSA-N 1 2 423.477 2.256 20 0 HEADLO Cc1ccc(S(=O)(=O)NC[C@H]2CCCN(C(=O)c3cccc4[nH+]ccn43)C2)cc1 ZINC000770416654 1078845913 /nfs/dbraw/zinc/84/59/13/1078845913.db2.gz WEHAAMMFZUWILX-QGZVFWFLSA-N 1 2 412.515 2.473 20 0 HEADLO C[N@H+](CC(F)F)C1CCN(C(=O)CN2C(=O)COc3ccc(Cl)cc32)CC1 ZINC000746320470 1078857699 /nfs/dbraw/zinc/85/76/99/1078857699.db2.gz QJGLANJYRBCAGW-UHFFFAOYSA-N 1 2 401.841 2.253 20 0 HEADLO C[N@@H+](CC(F)F)C1CCN(C(=O)CN2C(=O)COc3ccc(Cl)cc32)CC1 ZINC000746320470 1078857701 /nfs/dbraw/zinc/85/77/01/1078857701.db2.gz QJGLANJYRBCAGW-UHFFFAOYSA-N 1 2 401.841 2.253 20 0 HEADLO C[N@H+](CC(F)F)C1CCN(C(=O)CCOc2ccc(S(C)(=O)=O)cc2)CC1 ZINC000746321785 1078858049 /nfs/dbraw/zinc/85/80/49/1078858049.db2.gz VBXKHGARBHDYJG-UHFFFAOYSA-N 1 2 404.479 2.047 20 0 HEADLO C[N@@H+](CC(F)F)C1CCN(C(=O)CCOc2ccc(S(C)(=O)=O)cc2)CC1 ZINC000746321785 1078858053 /nfs/dbraw/zinc/85/80/53/1078858053.db2.gz VBXKHGARBHDYJG-UHFFFAOYSA-N 1 2 404.479 2.047 20 0 HEADLO C[N@H+](CC(F)F)C1CCN(C(=O)c2ccc3c(c2)CCCN3S(C)(=O)=O)CC1 ZINC000746321869 1078858349 /nfs/dbraw/zinc/85/83/49/1078858349.db2.gz QGAXUBQGFGTUEK-UHFFFAOYSA-N 1 2 415.506 2.200 20 0 HEADLO C[N@@H+](CC(F)F)C1CCN(C(=O)c2ccc3c(c2)CCCN3S(C)(=O)=O)CC1 ZINC000746321869 1078858350 /nfs/dbraw/zinc/85/83/50/1078858350.db2.gz QGAXUBQGFGTUEK-UHFFFAOYSA-N 1 2 415.506 2.200 20 0 HEADLO Cc1nnc(-c2cccc(NC(=O)C(=O)NCc3ccc(-n4cc[nH+]c4)cc3)c2)n1C ZINC000746382659 1078887618 /nfs/dbraw/zinc/88/76/18/1078887618.db2.gz VVHPVPQQCWCOEP-UHFFFAOYSA-N 1 2 415.457 2.231 20 0 HEADLO CCOC1CC(CNC(=O)Nc2ccc(NC(=O)OC)c(F)c2)([NH+]2CCOCC2)C1 ZINC000770675043 1078928580 /nfs/dbraw/zinc/92/85/80/1078928580.db2.gz MGNRIHAYHIPFKX-UHFFFAOYSA-N 1 2 424.473 2.395 20 0 HEADLO CCOC(=O)C1=C(C[NH2+][C@@H](CO)c2ccsc2)NC(=O)N[C@@H]1c1ccccc1 ZINC000770686455 1078934366 /nfs/dbraw/zinc/93/43/66/1078934366.db2.gz FYYUTDBMXYLAOF-FUHWJXTLSA-N 1 2 401.488 2.242 20 0 HEADLO Cn1[nH]c(C[N@@H+](Cc2ccccc2)C[C@H](O)c2cccc(OC(F)F)c2)nc1=O ZINC000770713610 1078943953 /nfs/dbraw/zinc/94/39/53/1078943953.db2.gz YUICMAXIOFKYNJ-KRWDZBQOSA-N 1 2 404.417 2.446 20 0 HEADLO Cn1[nH]c(C[N@H+](Cc2ccccc2)C[C@H](O)c2cccc(OC(F)F)c2)nc1=O ZINC000770713610 1078943963 /nfs/dbraw/zinc/94/39/63/1078943963.db2.gz YUICMAXIOFKYNJ-KRWDZBQOSA-N 1 2 404.417 2.446 20 0 HEADLO CC(C)OC[C@@H]1C[N@H+](CCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)CCO1 ZINC000770713543 1078944098 /nfs/dbraw/zinc/94/40/98/1078944098.db2.gz YSJRXYHZKSQXRV-AWEZNQCLSA-N 1 2 409.552 2.180 20 0 HEADLO CC(C)OC[C@@H]1C[N@@H+](CCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)CCO1 ZINC000770713543 1078944099 /nfs/dbraw/zinc/94/40/99/1078944099.db2.gz YSJRXYHZKSQXRV-AWEZNQCLSA-N 1 2 409.552 2.180 20 0 HEADLO COC(=O)c1cc(S(=O)(=O)N2CC[N@H+](C)[C@@H](C)[C@@H]2C)c(F)cc1Br ZINC000770716691 1078945651 /nfs/dbraw/zinc/94/56/51/1078945651.db2.gz KSKOPVSVBNNTJS-UWVGGRQHSA-N 1 2 423.304 2.088 20 0 HEADLO COC(=O)c1cc(S(=O)(=O)N2CC[N@@H+](C)[C@@H](C)[C@@H]2C)c(F)cc1Br ZINC000770716691 1078945654 /nfs/dbraw/zinc/94/56/54/1078945654.db2.gz KSKOPVSVBNNTJS-UWVGGRQHSA-N 1 2 423.304 2.088 20 0 HEADLO CCOC(=O)c1ccc(Br)c(S(=O)(=O)N2CC[N@H+](C)[C@H](C)[C@@H]2C)c1 ZINC000770717810 1078946033 /nfs/dbraw/zinc/94/60/33/1078946033.db2.gz ZHJSASJHEJEZCZ-NEPJUHHUSA-N 1 2 419.341 2.339 20 0 HEADLO CCOC(=O)c1ccc(Br)c(S(=O)(=O)N2CC[N@@H+](C)[C@H](C)[C@@H]2C)c1 ZINC000770717810 1078946037 /nfs/dbraw/zinc/94/60/37/1078946037.db2.gz ZHJSASJHEJEZCZ-NEPJUHHUSA-N 1 2 419.341 2.339 20 0 HEADLO O=C(CS[C@@H]1CCS(=O)(=O)C1)NC[C@@H]([NH2+]Cc1ccccc1)c1ccco1 ZINC000804272041 1078946840 /nfs/dbraw/zinc/94/68/40/1078946840.db2.gz ZYTASINVWXYZSL-IAGOWNOFSA-N 1 2 408.545 2.147 20 0 HEADLO CN(C)c1ccc([NH+]2CCC(NC(=O)N3CCCC[C@@H](S(C)(=O)=O)C3)CC2)cc1 ZINC000770694265 1078962235 /nfs/dbraw/zinc/96/22/35/1078962235.db2.gz KDRNTUCVBWFILK-HXUWFJFHSA-N 1 2 422.595 2.330 20 0 HEADLO CC[N@H+](CCO)CC(=O)c1cc(C)n(-c2c(C)n(C)n(-c3ccccc3)c2=O)c1C ZINC000746455069 1078984939 /nfs/dbraw/zinc/98/49/39/1078984939.db2.gz IYQFBBZCVWQMEM-UHFFFAOYSA-N 1 2 410.518 2.389 20 0 HEADLO CC[N@@H+](CCO)CC(=O)c1cc(C)n(-c2c(C)n(C)n(-c3ccccc3)c2=O)c1C ZINC000746455069 1078984949 /nfs/dbraw/zinc/98/49/49/1078984949.db2.gz IYQFBBZCVWQMEM-UHFFFAOYSA-N 1 2 410.518 2.389 20 0 HEADLO Cc1ccc(-c2csc(NC(=O)CN3CC[NH+](CC[S@](C)=O)CC3)n2)cc1 ZINC000746472296 1079021811 /nfs/dbraw/zinc/02/18/11/1079021811.db2.gz DDPVULFVOBVVRB-MHZLTWQESA-N 1 2 406.577 2.053 20 0 HEADLO Cc1ccc(NC(=O)Cc2nc(CN3CC[NH+](CC[S@@](C)=O)CC3)cs2)cc1 ZINC000746466098 1079025130 /nfs/dbraw/zinc/02/51/30/1079025130.db2.gz BGHXUTCIHMHCKE-MUUNZHRXSA-N 1 2 420.604 2.129 20 0 HEADLO C[C@H]1C[C@H]([N@@H+]2CCc3onc(CN4CCOCC4)c3C2)CN1C(=O)OC(C)(C)C ZINC001168852456 1079052752 /nfs/dbraw/zinc/05/27/52/1079052752.db2.gz CNYOUQHKMUREMG-HOTGVXAUSA-N 1 2 406.527 2.263 20 0 HEADLO C[C@H]1C[C@H]([N@H+]2CCc3onc(CN4CCOCC4)c3C2)CN1C(=O)OC(C)(C)C ZINC001168852456 1079052753 /nfs/dbraw/zinc/05/27/53/1079052753.db2.gz CNYOUQHKMUREMG-HOTGVXAUSA-N 1 2 406.527 2.263 20 0 HEADLO Cc1cc2c(NC(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)n[nH]c2c(Br)c1 ZINC001168897999 1079064716 /nfs/dbraw/zinc/06/47/16/1079064716.db2.gz ZJZUQKSYNVRVIZ-DOMZBBRYSA-N 1 2 423.311 2.452 20 0 HEADLO COc1ccc(CN2CC[C@@H]([N@@H+]3CCn4c(Cn5cccn5)cnc4C3)CC2=O)cc1 ZINC001168935563 1079078811 /nfs/dbraw/zinc/07/88/11/1079078811.db2.gz XYBFSEWBYVGGMX-LJQANCHMSA-N 1 2 420.517 2.143 20 0 HEADLO COc1ccc(CN2CC[C@@H]([N@H+]3CCn4c(Cn5cccn5)cnc4C3)CC2=O)cc1 ZINC001168935563 1079078814 /nfs/dbraw/zinc/07/88/14/1079078814.db2.gz XYBFSEWBYVGGMX-LJQANCHMSA-N 1 2 420.517 2.143 20 0 HEADLO C[C@H]1CCCN(S(=O)(=O)c2cc(C(=O)OCc3cccc4[nH+]ccn43)n(C)c2)C1 ZINC000770922655 1079081298 /nfs/dbraw/zinc/08/12/98/1079081298.db2.gz PFADYKVHJPSHQY-HNNXBMFYSA-N 1 2 416.503 2.450 20 0 HEADLO C[C@@H]([NH2+][C@H](C)c1nnc2n1CCCCC2)C(=O)NCCc1ccc2c(c1)OCCO2 ZINC001169032755 1079103803 /nfs/dbraw/zinc/10/38/03/1079103803.db2.gz MBWHGIHPUFJOBH-HZPDHXFCSA-N 1 2 413.522 2.174 20 0 HEADLO C[C@]1(c2cccc(Br)c2)C[C@H]1C(=O)N1CCO[C@@H](C[NH+]2CCOCC2)C1 ZINC001169002375 1079096506 /nfs/dbraw/zinc/09/65/06/1079096506.db2.gz MQDCTBNVSATJRT-CMKODMSKSA-N 1 2 423.351 2.286 20 0 HEADLO CCOC(=O)N1[C@@H](c2ccc(C)o2)CC[C@H]1C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000771031855 1079110374 /nfs/dbraw/zinc/11/03/74/1079110374.db2.gz HZCUYSPFPOSGMV-KURKYZTESA-N 1 2 405.495 2.183 20 0 HEADLO CCOC(=O)N1[C@H](C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)CC[C@H]1c1ccc(C)o1 ZINC000771031848 1079110480 /nfs/dbraw/zinc/11/04/80/1079110480.db2.gz HZCUYSPFPOSGMV-BZSNNMDCSA-N 1 2 405.495 2.183 20 0 HEADLO CCOC(=O)[C@@H]([NH2+]C[C@@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)O1)C1CCOCC1 ZINC001169065504 1079121568 /nfs/dbraw/zinc/12/15/68/1079121568.db2.gz PPKJTLTVDWBLCJ-IRXDYDNUSA-N 1 2 412.527 2.103 20 0 HEADLO C[C@@H]1C[N@H+](C[C@@H](O)c2cccc(Br)c2)CCN1c1nccn2cnnc12 ZINC000771121002 1079142060 /nfs/dbraw/zinc/14/20/60/1079142060.db2.gz NTAJGILFZOGMGR-CZUORRHYSA-N 1 2 417.311 2.131 20 0 HEADLO C[C@@H]1C[N@@H+](C[C@@H](O)c2cccc(Br)c2)CCN1c1nccn2cnnc12 ZINC000771121002 1079142064 /nfs/dbraw/zinc/14/20/64/1079142064.db2.gz NTAJGILFZOGMGR-CZUORRHYSA-N 1 2 417.311 2.131 20 0 HEADLO C[C@@]1(c2ccc(F)c(Cl)c2)NC(=O)N(CC(=O)NCCCCn2cc[nH+]c2)C1=O ZINC000771124817 1079144133 /nfs/dbraw/zinc/14/41/33/1079144133.db2.gz LRBNRFVKYFEUQU-IBGZPJMESA-N 1 2 421.860 2.039 20 0 HEADLO CCCC(=CC(=O)OCC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1)CCC ZINC000771137791 1079187861 /nfs/dbraw/zinc/18/78/61/1079187861.db2.gz JCSSKSRURYBFJW-UHFFFAOYSA-N 1 2 414.510 2.082 20 0 HEADLO NC(=O)N[C@H](CC(=O)NCc1cc[nH+]c(N2CCSCC2)c1)c1cccs1 ZINC001169225763 1079203103 /nfs/dbraw/zinc/20/31/03/1079203103.db2.gz LFIPGJLUDVYWLV-CQSZACIVSA-N 1 2 405.549 2.112 20 0 HEADLO CS(=O)(=O)Nc1ccc(S(=O)(=O)Oc2cccc(-n3cc[nH+]c3)c2)cc1F ZINC000771183587 1079212895 /nfs/dbraw/zinc/21/28/95/1079212895.db2.gz SMIXGCUEWSJSHB-UHFFFAOYSA-N 1 2 411.436 2.151 20 0 HEADLO CCOC(=O)[C@@H]1CC[C@@H]([N@@H+]2CCc3ncn(C)c3[C@@H]2COCc2cccnc2)CO1 ZINC001169399708 1079273402 /nfs/dbraw/zinc/27/34/02/1079273402.db2.gz WJYRYYHEZPJINQ-HOJAQTOUSA-N 1 2 414.506 2.042 20 0 HEADLO CCOC(=O)[C@@H]1CC[C@@H]([N@H+]2CCc3ncn(C)c3[C@@H]2COCc2cccnc2)CO1 ZINC001169399708 1079273408 /nfs/dbraw/zinc/27/34/08/1079273408.db2.gz WJYRYYHEZPJINQ-HOJAQTOUSA-N 1 2 414.506 2.042 20 0 HEADLO CCOC(=O)N1CC[C@@H](NC(=O)N2CC[NH+]([C@@H](C)c3cccc(OC)c3)CC2)C1 ZINC000771379224 1079292788 /nfs/dbraw/zinc/29/27/88/1079292788.db2.gz JFSTVNCPECRXQT-FUHWJXTLSA-N 1 2 404.511 2.314 20 0 HEADLO COc1ccc(OC)c([C@H](O)CNC(=O)CNc2cc(C)[nH+]c(OC(F)F)c2)c1 ZINC001169442330 1079292853 /nfs/dbraw/zinc/29/28/53/1079292853.db2.gz QRCAFFQOKIEDBV-OAHLLOKOSA-N 1 2 411.405 2.270 20 0 HEADLO CN(C)c1ccc([NH+]2CCC(NC(=O)N[C@@H]3CCO[C@]4(CCOC4)C3)CC2)cc1 ZINC000771423760 1079315415 /nfs/dbraw/zinc/31/54/15/1079315415.db2.gz RBIFCGSDIYIJNL-XMSQKQJNSA-N 1 2 402.539 2.359 20 0 HEADLO O=C(OCc1ccccc1)[C@H]1CCC[NH2+][C@H](Nc2ncccc2N2C(=O)C=CC2=O)C1 ZINC001169514861 1079319244 /nfs/dbraw/zinc/31/92/44/1079319244.db2.gz SARYIEOTWUUEKP-PKOBYXMFSA-N 1 2 420.469 2.382 20 0 HEADLO Cc1nc(S(C)(=O)=O)ncc1N[C@H]1C[C@@H](C(=O)OCc2ccccc2)CCC[NH2+]1 ZINC001169518026 1079328846 /nfs/dbraw/zinc/32/88/46/1079328846.db2.gz GPIDOOGATOAPJB-WMZOPIPTSA-N 1 2 418.519 2.060 20 0 HEADLO CN(C(=O)C[N@H+](C)CCc1cnccn1)c1ccccc1C(=O)NCc1ccco1 ZINC000771461383 1079335811 /nfs/dbraw/zinc/33/58/11/1079335811.db2.gz QWDJJJPTERPFHR-UHFFFAOYSA-N 1 2 407.474 2.137 20 0 HEADLO CN(C(=O)C[N@@H+](C)CCc1cnccn1)c1ccccc1C(=O)NCc1ccco1 ZINC000771461383 1079335812 /nfs/dbraw/zinc/33/58/12/1079335812.db2.gz QWDJJJPTERPFHR-UHFFFAOYSA-N 1 2 407.474 2.137 20 0 HEADLO CC(=O)N1CCC[C@@H]([NH+]2CCN(C3(C)CCN(C(=O)OC(C)(C)C)CC3)CC2)C1 ZINC001169617566 1079354022 /nfs/dbraw/zinc/35/40/22/1079354022.db2.gz SDJGIVGSETWQQR-LJQANCHMSA-N 1 2 408.587 2.405 20 0 HEADLO C[C@H](C[NH+]1CCOCC1)OC(=O)[C@@H]1CCN(c2ccccc2Br)C1=O ZINC000771480456 1079354215 /nfs/dbraw/zinc/35/42/15/1079354215.db2.gz BZLUWNYFLWRGKG-ZIAGYGMSSA-N 1 2 411.296 2.066 20 0 HEADLO C[C@@H](C[NH+]1CCOCC1)OC(=O)[C@@H]1CCN(c2ccccc2Br)C1=O ZINC000771480452 1079354328 /nfs/dbraw/zinc/35/43/28/1079354328.db2.gz BZLUWNYFLWRGKG-UONOGXRCSA-N 1 2 411.296 2.066 20 0 HEADLO CCOC(=O)N1CCC[C@H]([NH2+][C@@H](CCNC(=O)OC(C)(C)C)C(=O)OC)CC1 ZINC001169645380 1079354910 /nfs/dbraw/zinc/35/49/10/1079354910.db2.gz NIXGIWJYAGYFJC-GJZGRUSLSA-N 1 2 401.504 2.043 20 0 HEADLO CCOC(=O)C[C@@H](Nc1ccc(OCC[NH+]2CCOCC2)nc1)c1cccnc1 ZINC001169683176 1079366414 /nfs/dbraw/zinc/36/64/14/1079366414.db2.gz IWAZDGGQADYROL-LJQANCHMSA-N 1 2 400.479 2.294 20 0 HEADLO CCNc1nc(N2Cc3c(OC)ccc(OC)c3[C@@H](O)C2)nc(NC(C)(C)C)[nH+]1 ZINC000804333364 1079366949 /nfs/dbraw/zinc/36/69/49/1079366949.db2.gz YYPCMVAGJUVPOE-ZDUSSCGKSA-N 1 2 402.499 2.007 20 0 HEADLO CC(C)(C)OC(=O)N1CC[NH+](CCCNC(=O)c2coc(C3CCOCC3)n2)CC1 ZINC000771609636 1079395738 /nfs/dbraw/zinc/39/57/38/1079395738.db2.gz FZNOWUITZQAWEV-UHFFFAOYSA-N 1 2 422.526 2.241 20 0 HEADLO CC(C)(C)OC(=O)N1CC[N@@H+]([C@@H]2CCCN(C(=O)c3ccccc3)C2)[C@@H](CO)C1 ZINC001169761298 1079398914 /nfs/dbraw/zinc/39/89/14/1079398914.db2.gz BBRLFFIRZFNJOQ-RTBURBONSA-N 1 2 403.523 2.205 20 0 HEADLO CC(C)(C)OC(=O)N1CC[N@H+]([C@@H]2CCCN(C(=O)c3ccccc3)C2)[C@@H](CO)C1 ZINC001169761298 1079398923 /nfs/dbraw/zinc/39/89/23/1079398923.db2.gz BBRLFFIRZFNJOQ-RTBURBONSA-N 1 2 403.523 2.205 20 0 HEADLO Cc1ccccc1[C@@H]1CC(=O)N(C[NH+]2CCC(Oc3ccnc(C(N)=O)c3)CC2)C1 ZINC000771623641 1079408644 /nfs/dbraw/zinc/40/86/44/1079408644.db2.gz GYBCJAJXHUUXCG-QGZVFWFLSA-N 1 2 408.502 2.306 20 0 HEADLO CCOCC[N@H+](C)CN1C(=O)N[C@](C)(c2ccc(F)cc2Br)C1=O ZINC000771642820 1079419480 /nfs/dbraw/zinc/41/94/80/1079419480.db2.gz UTNARUKNWNMBRC-MRXNPFEDSA-N 1 2 402.264 2.281 20 0 HEADLO CCOCC[N@@H+](C)CN1C(=O)N[C@](C)(c2ccc(F)cc2Br)C1=O ZINC000771642820 1079419490 /nfs/dbraw/zinc/41/94/90/1079419490.db2.gz UTNARUKNWNMBRC-MRXNPFEDSA-N 1 2 402.264 2.281 20 0 HEADLO CC[C@@]1(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CCCN1C(=O)OC(C)(C)C ZINC000771662792 1079432838 /nfs/dbraw/zinc/43/28/38/1079432838.db2.gz DLURSGKNTNBIJW-NRFANRHFSA-N 1 2 421.542 2.334 20 0 HEADLO CN1CCN(c2cc(NCc3ccc(Br)c(Cl)n3)[nH+]cn2)CC1=O ZINC001169819380 1079433301 /nfs/dbraw/zinc/43/33/01/1079433301.db2.gz HQCQZQKGUZFFEC-UHFFFAOYSA-N 1 2 411.691 2.178 20 0 HEADLO CN1CCN(c2cc(NCc3ccc(Br)c(Cl)n3)nc[nH+]2)CC1=O ZINC001169819380 1079433319 /nfs/dbraw/zinc/43/33/19/1079433319.db2.gz HQCQZQKGUZFFEC-UHFFFAOYSA-N 1 2 411.691 2.178 20 0 HEADLO CS(=O)(=O)C1CCC(N2Cc3c[nH+]cn3C[C@@H](COc3cccnc3)C2)CC1 ZINC001169880496 1079454409 /nfs/dbraw/zinc/45/44/09/1079454409.db2.gz NBTXFHGNRIJAEL-VXESANQCSA-N 1 2 404.536 2.145 20 0 HEADLO Cc1cccc(CO[C@@H]2C[C@@H]3C[N@@H+](C4CCC(S(C)(=O)=O)CC4)CCN3C2)n1 ZINC001169882532 1079456684 /nfs/dbraw/zinc/45/66/84/1079456684.db2.gz NWPKYELJUKGAKA-JWFWCLOMSA-N 1 2 407.580 2.021 20 0 HEADLO Cc1cccc(CO[C@@H]2C[C@@H]3C[N@H+](C4CCC(S(C)(=O)=O)CC4)CCN3C2)n1 ZINC001169882532 1079456693 /nfs/dbraw/zinc/45/66/93/1079456693.db2.gz NWPKYELJUKGAKA-JWFWCLOMSA-N 1 2 407.580 2.021 20 0 HEADLO CC(C)(C)OC(=O)N1CC[C@](C)(O)[C@H]([NH+]2CCN(C(=O)Cc3ccccc3)CC2)C1 ZINC001169909091 1079473740 /nfs/dbraw/zinc/47/37/40/1079473740.db2.gz XUGAQLOCWHPRPW-XXBNENTESA-N 1 2 417.550 2.134 20 0 HEADLO COc1ccccc1/C(C)=C/C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000737751824 1075922486 /nfs/dbraw/zinc/92/24/86/1075922486.db2.gz OVPCPPKFKQFGBZ-OBGWFSINSA-N 1 2 423.517 2.074 20 0 HEADLO COc1ccccc1/C(C)=C/C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000737751824 1075922492 /nfs/dbraw/zinc/92/24/92/1075922492.db2.gz OVPCPPKFKQFGBZ-OBGWFSINSA-N 1 2 423.517 2.074 20 0 HEADLO COc1ccc(C=O)c(OCC(=O)N(C)CC[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000737983224 1075944773 /nfs/dbraw/zinc/94/47/73/1075944773.db2.gz GZLBXOUOWLZSRN-UHFFFAOYSA-N 1 2 411.502 2.167 20 0 HEADLO CC[C@]1(C(C)C)NC(=O)N(C[NH+]2CCC(C(=O)NCc3ccccc3)CC2)C1=O ZINC000738022692 1075952122 /nfs/dbraw/zinc/95/21/22/1075952122.db2.gz LZTYQCDZQZDANU-JOCHJYFZSA-N 1 2 400.523 2.329 20 0 HEADLO CC[C@@]1(C(C)C)NC(=O)N(C[NH+]2CCC(NC(=O)NC3CCCCC3)CC2)C1=O ZINC000738029538 1075954125 /nfs/dbraw/zinc/95/41/25/1075954125.db2.gz HOSWZNATUHRTAK-NRFANRHFSA-N 1 2 407.559 2.397 20 0 HEADLO CC(C)OCCCNC(=O)C1CC[NH+](CN2C(=O)NC3(CCCCCC3)C2=O)CC1 ZINC000738074571 1075958570 /nfs/dbraw/zinc/95/85/70/1075958570.db2.gz BWPSIBLJHWUHLH-UHFFFAOYSA-N 1 2 422.570 2.232 20 0 HEADLO CC[N@H+](CCC(=O)OC)CN1C(=O)N[C@](C)(c2ccc(Br)cc2)C1=O ZINC000738099606 1075960982 /nfs/dbraw/zinc/96/09/82/1075960982.db2.gz NXUPUHRYGBUICW-QGZVFWFLSA-N 1 2 412.284 2.059 20 0 HEADLO CC[N@@H+](CCC(=O)OC)CN1C(=O)N[C@](C)(c2ccc(Br)cc2)C1=O ZINC000738099606 1075960984 /nfs/dbraw/zinc/96/09/84/1075960984.db2.gz NXUPUHRYGBUICW-QGZVFWFLSA-N 1 2 412.284 2.059 20 0 HEADLO COC(=O)[C@H]1CCC[N@H+](CN2C(=O)N[C@@](C)(c3ccc(C(F)(F)F)cc3)C2=O)C1 ZINC000738057908 1075961764 /nfs/dbraw/zinc/96/17/64/1075961764.db2.gz UFCDVHZGNWFFSU-SGTLLEGYSA-N 1 2 413.396 2.315 20 0 HEADLO COC(=O)[C@H]1CCC[N@@H+](CN2C(=O)N[C@@](C)(c3ccc(C(F)(F)F)cc3)C2=O)C1 ZINC000738057908 1075961771 /nfs/dbraw/zinc/96/17/71/1075961771.db2.gz UFCDVHZGNWFFSU-SGTLLEGYSA-N 1 2 413.396 2.315 20 0 HEADLO NC(=O)CCc1nn(C[NH+]2CCc3ccccc3CC2)c(=S)n1C[C@@H]1CCCO1 ZINC000738227107 1075976566 /nfs/dbraw/zinc/97/65/66/1075976566.db2.gz RIJRHGRBAUCQMD-SFHVURJKSA-N 1 2 415.563 2.069 20 0 HEADLO O=c1cc(C[NH+]2CCN(Cc3nc4ccccc4c(=O)[nH]3)CC2)c2ccc(O)cc2o1 ZINC000738300390 1075986019 /nfs/dbraw/zinc/98/60/19/1075986019.db2.gz UWSBHCNKOMWKCI-UHFFFAOYSA-N 1 2 418.453 2.465 20 0 HEADLO Cc1cc(S(=O)(=O)N(C)CC[NH+]2CCN(c3ccccc3)CC2)cnc1Cl ZINC000738411821 1075995222 /nfs/dbraw/zinc/99/52/22/1075995222.db2.gz WZDDDBQYJCPSBM-UHFFFAOYSA-N 1 2 408.955 2.486 20 0 HEADLO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000739705736 1076074181 /nfs/dbraw/zinc/07/41/81/1076074181.db2.gz LSZYTGNLRUFQKC-RZQQEMMASA-N 1 2 413.584 2.004 20 0 HEADLO CSCCCCC(=O)OCC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000740325729 1076143823 /nfs/dbraw/zinc/14/38/23/1076143823.db2.gz REVWLSHEGICFPV-UHFFFAOYSA-N 1 2 406.548 2.342 20 0 HEADLO O=C(C[N@@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1)Nc1ccccc1C(=O)NC1CC1 ZINC000766248120 1076146382 /nfs/dbraw/zinc/14/63/82/1076146382.db2.gz GRIXGOXARZXOTC-HNNXBMFYSA-N 1 2 408.506 2.392 20 0 HEADLO O=C(C[N@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1)Nc1ccccc1C(=O)NC1CC1 ZINC000766248120 1076146387 /nfs/dbraw/zinc/14/63/87/1076146387.db2.gz GRIXGOXARZXOTC-HNNXBMFYSA-N 1 2 408.506 2.392 20 0 HEADLO CS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC[N@H+](C[C@@H]3CCCO3)CC2)c1 ZINC000740819901 1076246208 /nfs/dbraw/zinc/24/62/08/1076246208.db2.gz JDZUHKDKJNIKJX-AWEZNQCLSA-N 1 2 400.928 2.070 20 0 HEADLO CS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC[N@@H+](C[C@@H]3CCCO3)CC2)c1 ZINC000740819901 1076246213 /nfs/dbraw/zinc/24/62/13/1076246213.db2.gz JDZUHKDKJNIKJX-AWEZNQCLSA-N 1 2 400.928 2.070 20 0 HEADLO C[C@@H]1CN(C(=O)C2CC[NH+](Cc3nccn3C)CC2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000740830145 1076252071 /nfs/dbraw/zinc/25/20/71/1076252071.db2.gz PASLVBGGYUGHCW-SJLPKXTDSA-N 1 2 419.570 2.394 20 0 HEADLO C[C@@H]1C[N@H+](CN2C(=O)NC(C3CC3)(C3CC3)C2=O)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000740856862 1076269876 /nfs/dbraw/zinc/26/98/76/1076269876.db2.gz WJXDZOJLMQYHAP-CJNGLKHVSA-N 1 2 406.527 2.290 20 0 HEADLO C[C@@H]1C[N@@H+](CN2C(=O)NC(C3CC3)(C3CC3)C2=O)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000740856862 1076269880 /nfs/dbraw/zinc/26/98/80/1076269880.db2.gz WJXDZOJLMQYHAP-CJNGLKHVSA-N 1 2 406.527 2.290 20 0 HEADLO CCOc1ccccc1N1C(=O)C(=O)N(C[N@@H+](C)[C@@H]2C[C@H](OCC)C2(C)C)C1=O ZINC000740863179 1076273928 /nfs/dbraw/zinc/27/39/28/1076273928.db2.gz MEVDFCRKSQGWSU-SJORKVTESA-N 1 2 403.479 2.473 20 0 HEADLO CCOc1ccccc1N1C(=O)C(=O)N(C[N@H+](C)[C@@H]2C[C@H](OCC)C2(C)C)C1=O ZINC000740863179 1076273937 /nfs/dbraw/zinc/27/39/37/1076273937.db2.gz MEVDFCRKSQGWSU-SJORKVTESA-N 1 2 403.479 2.473 20 0 HEADLO C[C@@H]1CN(c2cc(N3CCC[C@H](CO)C3)[nH+]cn2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000740868864 1076275828 /nfs/dbraw/zinc/27/58/28/1076275828.db2.gz DOOPQSWGUAWHRA-IXDOHACOSA-N 1 2 405.543 2.425 20 0 HEADLO C[C@@H]1CN(c2cc(N3CCC[C@H](CO)C3)nc[nH+]2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000740868864 1076275832 /nfs/dbraw/zinc/27/58/32/1076275832.db2.gz DOOPQSWGUAWHRA-IXDOHACOSA-N 1 2 405.543 2.425 20 0 HEADLO COc1ccc(C(=O)NC(=O)C[N@@H+]2CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C2)cc1 ZINC000740884319 1076284289 /nfs/dbraw/zinc/28/42/89/1076284289.db2.gz VHBAZAFATIDLAL-RHSMWYFYSA-N 1 2 405.495 2.187 20 0 HEADLO COc1ccc(C(=O)NC(=O)C[N@H+]2CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C2)cc1 ZINC000740884319 1076284298 /nfs/dbraw/zinc/28/42/98/1076284298.db2.gz VHBAZAFATIDLAL-RHSMWYFYSA-N 1 2 405.495 2.187 20 0 HEADLO CC[C@@H]1C[N@H+](CC(=O)N2CCOCC2)[C@H](CC)CN1C(=O)OCc1ccccc1 ZINC000740887472 1076285215 /nfs/dbraw/zinc/28/52/15/1076285215.db2.gz VBBBQFJOCSWINA-WOJBJXKFSA-N 1 2 403.523 2.357 20 0 HEADLO CC[C@@H]1C[N@@H+](CC(=O)N2CCOCC2)[C@H](CC)CN1C(=O)OCc1ccccc1 ZINC000740887472 1076285222 /nfs/dbraw/zinc/28/52/22/1076285222.db2.gz VBBBQFJOCSWINA-WOJBJXKFSA-N 1 2 403.523 2.357 20 0 HEADLO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cc(S(C)(=O)=O)ccc2Cl)C[C@@H]1C ZINC000740893941 1076294450 /nfs/dbraw/zinc/29/44/50/1076294450.db2.gz GZBVOLJAJZFXLB-STQMWFEESA-N 1 2 408.973 2.237 20 0 HEADLO CC[N@H+]1CC[C@H](N(C)S(=O)(=O)c2cc(S(C)(=O)=O)ccc2Cl)C[C@@H]1C ZINC000740893941 1076294456 /nfs/dbraw/zinc/29/44/56/1076294456.db2.gz GZBVOLJAJZFXLB-STQMWFEESA-N 1 2 408.973 2.237 20 0 HEADLO C[NH+]1CCN(CCCCNC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2O)CC1 ZINC000740923875 1076307444 /nfs/dbraw/zinc/30/74/44/1076307444.db2.gz MRKQBGMXJVVSCO-UHFFFAOYSA-N 1 2 406.527 2.497 20 0 HEADLO CC(C)[C@@H](C(=O)OCC(=O)NCC1([NH+]2CCOCC2)CCCCC1)N1CCCCC1 ZINC000741011500 1076328051 /nfs/dbraw/zinc/32/80/51/1076328051.db2.gz DCSIGGRVOVNEJR-NRFANRHFSA-N 1 2 423.598 2.191 20 0 HEADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)NC[C@H](O)c2c(F)cccc2F)CC1 ZINC000741056275 1076346746 /nfs/dbraw/zinc/34/67/46/1076346746.db2.gz CIZVMPJGLBYNAN-SFHVURJKSA-N 1 2 418.444 2.208 20 0 HEADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)Nc1ccc(=O)n(Cc2ccccc2)c1 ZINC000741061027 1076347923 /nfs/dbraw/zinc/34/79/23/1076347923.db2.gz VAZFCBLDVJQTJV-UHFFFAOYSA-N 1 2 422.489 2.069 20 0 HEADLO O=C(NC[C@@H](O)c1c(F)cccc1F)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000741087348 1076350096 /nfs/dbraw/zinc/35/00/96/1076350096.db2.gz WHFMQFQCOSJLRL-YLJYHZDGSA-N 1 2 419.472 2.241 20 0 HEADLO CC(C)(C)OC(=O)N1CC[C@@H](C[NH+]2CCN(S(=O)(=O)Cc3ccccc3)CC2)C1 ZINC000741155771 1076388802 /nfs/dbraw/zinc/38/88/02/1076388802.db2.gz QWXVVOYAPGUWHH-IBGZPJMESA-N 1 2 423.579 2.391 20 0 HEADLO CN(C(=O)COC(=O)[C@@H]1CCCC[N@@H+]1C)c1ccccc1C(=O)NCc1ccco1 ZINC000741146062 1076392704 /nfs/dbraw/zinc/39/27/04/1076392704.db2.gz AQNZPJWWVPKEDA-IBGZPJMESA-N 1 2 413.474 2.200 20 0 HEADLO CN(C(=O)COC(=O)[C@@H]1CCCC[N@H+]1C)c1ccccc1C(=O)NCc1ccco1 ZINC000741146062 1076392707 /nfs/dbraw/zinc/39/27/07/1076392707.db2.gz AQNZPJWWVPKEDA-IBGZPJMESA-N 1 2 413.474 2.200 20 0 HEADLO C[N@H+](CN1C(=O)NC2(CCOCC2)C1=O)CC1(c2ccc(Br)cc2)CC1 ZINC000741240147 1076432177 /nfs/dbraw/zinc/43/21/77/1076432177.db2.gz IYFGGPHRTFDRJG-UHFFFAOYSA-N 1 2 422.323 2.471 20 0 HEADLO C[N@@H+](CN1C(=O)NC2(CCOCC2)C1=O)CC1(c2ccc(Br)cc2)CC1 ZINC000741240147 1076432179 /nfs/dbraw/zinc/43/21/79/1076432179.db2.gz IYFGGPHRTFDRJG-UHFFFAOYSA-N 1 2 422.323 2.471 20 0 HEADLO O=C(NC[C@H](O)c1c(F)cccc1Cl)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000741272953 1076439171 /nfs/dbraw/zinc/43/91/71/1076439171.db2.gz TVOWUSJGAYLJHX-MAUKXSAKSA-N 1 2 417.934 2.020 20 0 HEADLO O=C(COC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1)NC(=O)Nc1ccccc1 ZINC000741358019 1076483384 /nfs/dbraw/zinc/48/33/84/1076483384.db2.gz WRLFPNZAIIHCGJ-IBGZPJMESA-N 1 2 411.458 2.169 20 0 HEADLO O=C(COC(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1)NC(=O)Nc1ccccc1 ZINC000741358019 1076483392 /nfs/dbraw/zinc/48/33/92/1076483392.db2.gz WRLFPNZAIIHCGJ-IBGZPJMESA-N 1 2 411.458 2.169 20 0 HEADLO O=C(COC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1)NCc1ccccc1F ZINC000741346813 1076489550 /nfs/dbraw/zinc/48/95/50/1076489550.db2.gz MHXFZLKIBRIGLZ-IBGZPJMESA-N 1 2 400.450 2.276 20 0 HEADLO O=C(COC(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1)NCc1ccccc1F ZINC000741346813 1076489552 /nfs/dbraw/zinc/48/95/52/1076489552.db2.gz MHXFZLKIBRIGLZ-IBGZPJMESA-N 1 2 400.450 2.276 20 0 HEADLO CCOC(=O)C1CCN(C(=O)COC(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)CC1 ZINC000741352254 1076492056 /nfs/dbraw/zinc/49/20/56/1076492056.db2.gz NEGULUCOVQAHDJ-HXUWFJFHSA-N 1 2 416.518 2.386 20 0 HEADLO CCOC(=O)C1CCN(C(=O)COC(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC000741352254 1076492061 /nfs/dbraw/zinc/49/20/61/1076492061.db2.gz NEGULUCOVQAHDJ-HXUWFJFHSA-N 1 2 416.518 2.386 20 0 HEADLO Cc1nc(C(=O)OCC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)c2ccccn12 ZINC000741353433 1076493171 /nfs/dbraw/zinc/49/31/71/1076493171.db2.gz JYVYGGZKYPMIKC-UHFFFAOYSA-N 1 2 408.458 2.270 20 0 HEADLO Cc1cccn2c(=O)cc(COC(=O)C[C@@H]3C[N@H+](Cc4ccccc4)CCO3)nc12 ZINC000741353943 1076493190 /nfs/dbraw/zinc/49/31/90/1076493190.db2.gz KYWDCZMHPYTOIB-HXUWFJFHSA-N 1 2 407.470 2.337 20 0 HEADLO Cc1cccn2c(=O)cc(COC(=O)C[C@@H]3C[N@@H+](Cc4ccccc4)CCO3)nc12 ZINC000741353943 1076493191 /nfs/dbraw/zinc/49/31/91/1076493191.db2.gz KYWDCZMHPYTOIB-HXUWFJFHSA-N 1 2 407.470 2.337 20 0 HEADLO C[C@H](OC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1)C(=O)NCc1ccc(F)cc1 ZINC000741387471 1076496194 /nfs/dbraw/zinc/49/61/94/1076496194.db2.gz YHJFJEPEASKTKG-JXFKEZNVSA-N 1 2 400.450 2.275 20 0 HEADLO C[C@H](OC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)C(=O)NCc1ccc(F)cc1 ZINC000741387471 1076496198 /nfs/dbraw/zinc/49/61/98/1076496198.db2.gz YHJFJEPEASKTKG-JXFKEZNVSA-N 1 2 400.450 2.275 20 0 HEADLO O=C(COC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1)NCCc1c(F)cccc1F ZINC000741382921 1076507031 /nfs/dbraw/zinc/50/70/31/1076507031.db2.gz JURIWTHXDGRXGQ-HXUWFJFHSA-N 1 2 418.440 2.068 20 0 HEADLO O=C(COC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1)NCCc1c(F)cccc1F ZINC000741382921 1076507035 /nfs/dbraw/zinc/50/70/35/1076507035.db2.gz JURIWTHXDGRXGQ-HXUWFJFHSA-N 1 2 418.440 2.068 20 0 HEADLO CC(C)n1nccc1NC(=O)[C@@H](C)OC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000741382607 1076507047 /nfs/dbraw/zinc/50/70/47/1076507047.db2.gz QOFYLMHBQXJBBK-SJLPKXTDSA-N 1 2 400.479 2.235 20 0 HEADLO CC(C)n1nccc1NC(=O)[C@@H](C)OC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000741382607 1076507054 /nfs/dbraw/zinc/50/70/54/1076507054.db2.gz QOFYLMHBQXJBBK-SJLPKXTDSA-N 1 2 400.479 2.235 20 0 HEADLO CC[S@@](=O)CCNC(=O)N(C)C1CC[NH+](Cc2ncc(C)c(OC)c2C)CC1 ZINC000741418276 1076516898 /nfs/dbraw/zinc/51/68/98/1076516898.db2.gz NHSGUBPURWIFLN-MUUNZHRXSA-N 1 2 410.584 2.081 20 0 HEADLO C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)NCC[S@@](=O)Cc2ccccc2)C[C@@H](C)O1 ZINC000741418463 1076517408 /nfs/dbraw/zinc/51/74/08/1076517408.db2.gz GBSBMHKLJINRSF-FLMYGUAFSA-N 1 2 407.580 2.219 20 0 HEADLO C[C@H](C(=O)NC1CCCC1)N1CC[NH+](C[C@@H]2CN(c3ccccc3)C(=O)O2)CC1 ZINC000741780483 1076624813 /nfs/dbraw/zinc/62/48/13/1076624813.db2.gz YUQALMHNHKXSHG-YLJYHZDGSA-N 1 2 400.523 2.077 20 0 HEADLO C[C@H]1Cc2ccccc2C[N@@H+]1CC(=O)NN1C(=O)N[C@](C)(CCc2ccccc2)C1=O ZINC000741797685 1076640594 /nfs/dbraw/zinc/64/05/94/1076640594.db2.gz OJAWOPVVMMRBIL-BXKMTCNYSA-N 1 2 420.513 2.408 20 0 HEADLO C[C@H]1Cc2ccccc2C[N@H+]1CC(=O)NN1C(=O)N[C@](C)(CCc2ccccc2)C1=O ZINC000741797685 1076640611 /nfs/dbraw/zinc/64/06/11/1076640611.db2.gz OJAWOPVVMMRBIL-BXKMTCNYSA-N 1 2 420.513 2.408 20 0 HEADLO C[C@H]1CN(CC(=O)N2CC[NH+](Cc3ccsc3)CC2)CCN1C(=O)OC(C)(C)C ZINC000741803741 1076643076 /nfs/dbraw/zinc/64/30/76/1076643076.db2.gz IGBPAVCHLKHOTN-KRWDZBQOSA-N 1 2 422.595 2.334 20 0 HEADLO CN(C)c1ccc([NH+]2CCC(NC(=O)[C@@H]3CC(=O)N(C)[C@H]3c3cccnc3)CC2)cc1 ZINC000741982006 1076702835 /nfs/dbraw/zinc/70/28/35/1076702835.db2.gz IRDBMGMGHNBMDG-GGAORHGYSA-N 1 2 421.545 2.452 20 0 HEADLO CN(C)c1ccc([NH+]2CCC(NC(=O)[C@H]3CC(=O)N(C)[C@H]3c3cccnc3)CC2)cc1 ZINC000741982007 1076702948 /nfs/dbraw/zinc/70/29/48/1076702948.db2.gz IRDBMGMGHNBMDG-GMAHTHKFSA-N 1 2 421.545 2.452 20 0 HEADLO CN(C)c1ccc([NH+]2CCC(NC(=O)[C@@H]3CC[C@H](C(F)(F)F)NC3=O)CC2)cc1 ZINC000742109328 1076744916 /nfs/dbraw/zinc/74/49/16/1076744916.db2.gz NGSNORQGFXINNS-DLBZAZTESA-N 1 2 412.456 2.295 20 0 HEADLO Cc1oc(C)c(S(N)(=O)=O)c1C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000742113403 1076746083 /nfs/dbraw/zinc/74/60/83/1076746083.db2.gz JLNMFVAADUDRJM-UHFFFAOYSA-N 1 2 420.535 2.009 20 0 HEADLO O=c1n(Cc2ccccc2)c2ccncc2n1CN1CC[NH+](Cc2ccncc2)CC1 ZINC000742144814 1076756774 /nfs/dbraw/zinc/75/67/74/1076756774.db2.gz GCKQFEOUCIZFHB-UHFFFAOYSA-N 1 2 414.513 2.417 20 0 HEADLO COC(=O)[C@H](C)C[N@@H+](Cc1ccccc1)CN1C(=O)N[C@H](Cc2ccccc2)C1=O ZINC000742148660 1076764928 /nfs/dbraw/zinc/76/49/28/1076764928.db2.gz AGHLELKXBIPJDO-YLJYHZDGSA-N 1 2 409.486 2.418 20 0 HEADLO COC(=O)[C@H](C)C[N@H+](Cc1ccccc1)CN1C(=O)N[C@H](Cc2ccccc2)C1=O ZINC000742148660 1076764942 /nfs/dbraw/zinc/76/49/42/1076764942.db2.gz AGHLELKXBIPJDO-YLJYHZDGSA-N 1 2 409.486 2.418 20 0 HEADLO C[C@@H](CNC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl)Cn1cc[nH+]c1 ZINC000742180214 1076796586 /nfs/dbraw/zinc/79/65/86/1076796586.db2.gz SQNMXBMCBAXDCU-AWEZNQCLSA-N 1 2 410.927 2.387 20 0 HEADLO CCCCCCNC(=O)[C@@H]1CCCN(C(=O)C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000742248171 1076805902 /nfs/dbraw/zinc/80/59/02/1076805902.db2.gz QYGLGDSTIWRRNM-HXUWFJFHSA-N 1 2 415.582 2.139 20 0 HEADLO O=C(C[C@H]1C[N@H+](Cc2ccccc2)CCO1)NCC[S@@](=O)Cc1ccccc1 ZINC000742252434 1076810022 /nfs/dbraw/zinc/81/00/22/1076810022.db2.gz AWYBAWSNCILXQQ-RBTNQOKQSA-N 1 2 400.544 2.343 20 0 HEADLO O=C(C[C@H]1C[N@@H+](Cc2ccccc2)CCO1)NCC[S@@](=O)Cc1ccccc1 ZINC000742252434 1076810025 /nfs/dbraw/zinc/81/00/25/1076810025.db2.gz AWYBAWSNCILXQQ-RBTNQOKQSA-N 1 2 400.544 2.343 20 0 HEADLO CC(=O)NCc1ccc(S(=O)(=O)N[C@@H](Cc2[nH+]ccn2C)c2ccccc2)cc1 ZINC000742340186 1076826558 /nfs/dbraw/zinc/82/65/58/1076826558.db2.gz ANCMHIWQBAWCQN-FQEVSTJZSA-N 1 2 412.515 2.319 20 0 HEADLO COC(=O)c1cccc(S(=O)(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)c1 ZINC000742317763 1076828685 /nfs/dbraw/zinc/82/86/85/1076828685.db2.gz YIUJHKKVYHITRS-UHFFFAOYSA-N 1 2 417.531 2.487 20 0 HEADLO CCc1ccc(CNC(=O)CON=C(N)c2cccc(C[NH+]3CCOCC3)c2)s1 ZINC000742357004 1076829843 /nfs/dbraw/zinc/82/98/43/1076829843.db2.gz LYURYEQZMNORKR-UHFFFAOYSA-N 1 2 416.547 2.306 20 0 HEADLO CCCN1C(=O)C(=O)N(C[NH+]2CCC([C@@H]3CCCN3C(=O)OC(C)(C)C)CC2)C1=O ZINC000742559617 1076851946 /nfs/dbraw/zinc/85/19/46/1076851946.db2.gz VLRYRAXPGABWRE-INIZCTEOSA-N 1 2 422.526 2.256 20 0 HEADLO CCCN1C(=O)C(=O)N(C[NH+]2CCC([C@H]3CCCN3C(=O)OC(C)(C)C)CC2)C1=O ZINC000742559618 1076851984 /nfs/dbraw/zinc/85/19/84/1076851984.db2.gz VLRYRAXPGABWRE-MRXNPFEDSA-N 1 2 422.526 2.256 20 0 HEADLO Cc1ccc(NC(=S)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)cc1F ZINC000737465360 1076863547 /nfs/dbraw/zinc/86/35/47/1076863547.db2.gz LYTPCBHMTHOLDY-UHFFFAOYSA-N 1 2 416.526 2.280 20 0 HEADLO Cc1ccc(NC(=S)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)cc1F ZINC000737465360 1076863548 /nfs/dbraw/zinc/86/35/48/1076863548.db2.gz LYTPCBHMTHOLDY-UHFFFAOYSA-N 1 2 416.526 2.280 20 0 HEADLO CC(C)(C)OC(=O)NCc1nc(C(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)cs1 ZINC000742762025 1076874856 /nfs/dbraw/zinc/87/48/56/1076874856.db2.gz LLMFZBHBRIDDGG-CQSZACIVSA-N 1 2 410.540 2.105 20 0 HEADLO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[NH+]1CCN(C(=O)C2CC2)CC1 ZINC000743257552 1077009774 /nfs/dbraw/zinc/00/97/74/1077009774.db2.gz HHDSJFADKHALEF-PMACEKPBSA-N 1 2 417.550 2.038 20 0 HEADLO CN(C(=O)OC(C)(C)C)C1CCN(C(=O)C[NH+]2CCN(c3ccccn3)CC2)CC1 ZINC000743340509 1077026315 /nfs/dbraw/zinc/02/63/15/1077026315.db2.gz JBKSLBIUEQBJQL-UHFFFAOYSA-N 1 2 417.554 2.062 20 0 HEADLO CO[C@@H]1CCC[N@H+](CN2C(=O)N[C@]3(CCCC[C@@H]3CNC(=O)OC(C)(C)C)C2=O)C1 ZINC000743361305 1077032204 /nfs/dbraw/zinc/03/22/04/1077032204.db2.gz MMQJGLIVJSQWGM-ZOCZFRKYSA-N 1 2 424.542 2.060 20 0 HEADLO CO[C@@H]1CCC[N@@H+](CN2C(=O)N[C@]3(CCCC[C@@H]3CNC(=O)OC(C)(C)C)C2=O)C1 ZINC000743361305 1077032208 /nfs/dbraw/zinc/03/22/08/1077032208.db2.gz MMQJGLIVJSQWGM-ZOCZFRKYSA-N 1 2 424.542 2.060 20 0 HEADLO CCOC(=O)COc1cccc(NC(=O)C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000743402048 1077043288 /nfs/dbraw/zinc/04/32/88/1077043288.db2.gz QRAHMXGILIJUKO-UHFFFAOYSA-N 1 2 422.441 2.069 20 0 HEADLO CCc1ccc(N2CCN(C(=O)NC[C@@]3([NH+]4CCOCC4)CCSC3)CC2)cc1 ZINC000743557264 1077068424 /nfs/dbraw/zinc/06/84/24/1077068424.db2.gz PINYWGOQYDOLFS-QFIPXVFZSA-N 1 2 418.607 2.289 20 0 HEADLO O=C(CN1C(=S)N=NC1c1ccc(Cl)cc1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000743728289 1077097798 /nfs/dbraw/zinc/09/77/98/1077097798.db2.gz NDABESMATSXDAJ-INIZCTEOSA-N 1 2 421.954 2.210 20 0 HEADLO Cc1nnnn1/C(=C\c1ccccc1)C(=O)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000743838126 1077139967 /nfs/dbraw/zinc/13/99/67/1077139967.db2.gz IVEPQLOBUNMMAT-QNGOZBTKSA-N 1 2 404.474 2.451 20 0 HEADLO Cc1nnnn1/C(=C/c1ccccc1)C(=O)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000743838127 1077140325 /nfs/dbraw/zinc/14/03/25/1077140325.db2.gz IVEPQLOBUNMMAT-RCCKNPSSSA-N 1 2 404.474 2.451 20 0 HEADLO C[C@@]1(C(=O)NCc2ccccc2OCC[NH+]2CCOCC2)Cc2ccccc2C(=O)O1 ZINC000743937525 1077228392 /nfs/dbraw/zinc/22/83/92/1077228392.db2.gz PVQVRUCEOVSURI-DEOSSOPVSA-N 1 2 424.497 2.186 20 0 HEADLO O=C(NCc1ccccc1OCC[NH+]1CCOCC1)c1ccc(Cn2cccn2)o1 ZINC000743937882 1077230276 /nfs/dbraw/zinc/23/02/76/1077230276.db2.gz XLGWAJHVPFIUEF-UHFFFAOYSA-N 1 2 410.474 2.165 20 0 HEADLO C[C@@H](c1cccc(NC(=O)C(=O)NCC[C@H](O)c2ccccc2)c1)[NH+]1CCOCC1 ZINC000743979074 1077292952 /nfs/dbraw/zinc/29/29/52/1077292952.db2.gz BOWTWCYCIBRDCM-UWJYYQICSA-N 1 2 411.502 2.258 20 0 HEADLO COc1ccc(CC(N)=[NH+]OCc2cccc(S(=O)(=O)N(C)C)c2)cc1OC ZINC000744184668 1077336242 /nfs/dbraw/zinc/33/62/42/1077336242.db2.gz IVQXJPDMXWSMMO-UHFFFAOYSA-N 1 2 407.492 2.195 20 0 HEADLO O=C(C[N@@H+]1CCc2c(cccc2N2CCOC2=O)C1)NC[C@H]1Cc2ccccc2O1 ZINC000744414386 1077378374 /nfs/dbraw/zinc/37/83/74/1077378374.db2.gz OKZCDJYAXQMWJD-GOSISDBHSA-N 1 2 407.470 2.121 20 0 HEADLO O=C(C[N@H+]1CCc2c(cccc2N2CCOC2=O)C1)NC[C@H]1Cc2ccccc2O1 ZINC000744414386 1077378380 /nfs/dbraw/zinc/37/83/80/1077378380.db2.gz OKZCDJYAXQMWJD-GOSISDBHSA-N 1 2 407.470 2.121 20 0 HEADLO COc1ccc(C(=O)NCCN2CC[NH+](C[C@@H](O)c3cccc(Cl)c3)CC2)cc1 ZINC000744403105 1077380933 /nfs/dbraw/zinc/38/09/33/1077380933.db2.gz WJDWDBCRCKKWIG-OAQYLSRUSA-N 1 2 417.937 2.430 20 0 HEADLO COc1ccc(C(=O)NCC[NH+]2CCN(C[C@@H](O)c3cccc(Cl)c3)CC2)cc1 ZINC000744403105 1077380938 /nfs/dbraw/zinc/38/09/38/1077380938.db2.gz WJDWDBCRCKKWIG-OAQYLSRUSA-N 1 2 417.937 2.430 20 0 HEADLO CC[C@](C)([NH2+]CC(=O)NN1C(=O)N[C@](CC)(c2ccccc2)C1=O)c1nccs1 ZINC000744403962 1077380967 /nfs/dbraw/zinc/38/09/67/1077380967.db2.gz BYWVWQLORHOIPF-VQTJNVASSA-N 1 2 415.519 2.246 20 0 HEADLO CC[C@](C)([NH2+]CC(=O)NN1C(=O)N[C@@](CC)(c2ccccc2)C1=O)c1nccs1 ZINC000744403960 1077380997 /nfs/dbraw/zinc/38/09/97/1077380997.db2.gz BYWVWQLORHOIPF-PMACEKPBSA-N 1 2 415.519 2.246 20 0 HEADLO C[C@@H](C(=O)N1CC(=O)Nc2ccccc21)[N@@H+]1CCc2c(cccc2N2CCOC2=O)C1 ZINC000744412572 1077385018 /nfs/dbraw/zinc/38/50/18/1077385018.db2.gz RSSOKPHYVLLEKT-HNNXBMFYSA-N 1 2 420.469 2.375 20 0 HEADLO C[C@@H](C(=O)N1CC(=O)Nc2ccccc21)[N@H+]1CCc2c(cccc2N2CCOC2=O)C1 ZINC000744412572 1077385025 /nfs/dbraw/zinc/38/50/25/1077385025.db2.gz RSSOKPHYVLLEKT-HNNXBMFYSA-N 1 2 420.469 2.375 20 0 HEADLO C[N@@H+]1CCO[C@@H]([C@@H](NC(=O)N2CCC3(CC2)OCCO3)c2ccc(Cl)cc2)C1 ZINC000766319632 1077443092 /nfs/dbraw/zinc/44/30/92/1077443092.db2.gz OSRDWZKLXVKFBH-MSOLQXFVSA-N 1 2 409.914 2.260 20 0 HEADLO C[N@H+]1CCO[C@@H]([C@@H](NC(=O)N2CCC3(CC2)OCCO3)c2ccc(Cl)cc2)C1 ZINC000766319632 1077443097 /nfs/dbraw/zinc/44/30/97/1077443097.db2.gz OSRDWZKLXVKFBH-MSOLQXFVSA-N 1 2 409.914 2.260 20 0 HEADLO CC[NH+](CC)[C@@H](C(=O)O[C@@H](C)C(=O)N1CCC(C(=O)OC)CC1)c1ccccc1 ZINC000744996347 1077700168 /nfs/dbraw/zinc/70/01/68/1077700168.db2.gz KNQLJJDPWWFKHI-QFBILLFUSA-N 1 2 404.507 2.413 20 0 HEADLO CC(C)c1ccc(C[NH+]2CCN(C(=O)COC(=O)[C@@H]3CCCCN3C)CC2)cc1 ZINC000745087152 1077724656 /nfs/dbraw/zinc/72/46/56/1077724656.db2.gz VVVQNFUBQRDIIX-NRFANRHFSA-N 1 2 401.551 2.482 20 0 HEADLO C[N@@H+]1CCCC[C@@H]1C(=O)OCC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000745079971 1077734800 /nfs/dbraw/zinc/73/48/00/1077734800.db2.gz OEQKTZFGUOKDIX-OAHLLOKOSA-N 1 2 415.321 2.065 20 0 HEADLO C[N@H+]1CCCC[C@@H]1C(=O)OCC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000745079971 1077734809 /nfs/dbraw/zinc/73/48/09/1077734809.db2.gz OEQKTZFGUOKDIX-OAHLLOKOSA-N 1 2 415.321 2.065 20 0 HEADLO O=C(O[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1OC(=O)[C@@H]1CCCCO1)[C@H]1CCCCO1 ZINC000766323348 1077752994 /nfs/dbraw/zinc/75/29/94/1077752994.db2.gz ZXVUBJBKISCVGA-FXELSEDVSA-N 1 2 417.502 2.464 20 0 HEADLO O=C(O[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1OC(=O)[C@@H]1CCCCO1)[C@H]1CCCCO1 ZINC000766323348 1077753002 /nfs/dbraw/zinc/75/30/02/1077753002.db2.gz ZXVUBJBKISCVGA-FXELSEDVSA-N 1 2 417.502 2.464 20 0 HEADLO Cc1nn(C)c(C)c1C[C@@H](C)C(=O)OCC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000745274321 1077800326 /nfs/dbraw/zinc/80/03/26/1077800326.db2.gz DOTJCDAFYFMCMV-OAHLLOKOSA-N 1 2 418.563 2.165 20 0 HEADLO COc1cccc(F)c1C(=O)OCC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000745312867 1077806011 /nfs/dbraw/zinc/80/60/11/1077806011.db2.gz PVBMHGMHEJVDMT-UHFFFAOYSA-N 1 2 402.422 2.462 20 0 HEADLO C[C@@H](C(=O)Nc1ccc(N2CCOCC2)cc1)[NH+]1CCC([C@H](O)C(F)(F)F)CC1 ZINC000767019147 1079592757 /nfs/dbraw/zinc/59/27/57/1079592757.db2.gz GBPYINKRJAXBDJ-KSSFIOAISA-N 1 2 415.456 2.485 20 0 HEADLO COc1ccc(OC)c([C@@H]2CCCN2C(=O)COC(=O)C[N@H+](C)[C@@H]2CCSC2)c1 ZINC000767110876 1079663014 /nfs/dbraw/zinc/66/30/14/1079663014.db2.gz IXOFCSSLHUXING-QAPCUYQASA-N 1 2 422.547 2.348 20 0 HEADLO COc1ccc(OC)c([C@@H]2CCCN2C(=O)COC(=O)C[N@@H+](C)[C@@H]2CCSC2)c1 ZINC000767110876 1079663032 /nfs/dbraw/zinc/66/30/32/1079663032.db2.gz IXOFCSSLHUXING-QAPCUYQASA-N 1 2 422.547 2.348 20 0 HEADLO COc1ccc([C@@H]2CCCN2C(=O)COC(=O)C[N@H+](C)[C@H]2CCSC2)cc1OC ZINC000767113570 1079667094 /nfs/dbraw/zinc/66/70/94/1079667094.db2.gz WKEVZQCLDAVLRX-IRXDYDNUSA-N 1 2 422.547 2.348 20 0 HEADLO COc1ccc([C@@H]2CCCN2C(=O)COC(=O)C[N@@H+](C)[C@H]2CCSC2)cc1OC ZINC000767113570 1079667100 /nfs/dbraw/zinc/66/71/00/1079667100.db2.gz WKEVZQCLDAVLRX-IRXDYDNUSA-N 1 2 422.547 2.348 20 0 HEADLO C[C@H](OC(=O)C[N@H+](C)[C@@H]1CCSC1)C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000772045997 1079668279 /nfs/dbraw/zinc/66/82/79/1079668279.db2.gz FGXUZJADMSNGBT-WMLDXEAASA-N 1 2 405.520 2.121 20 0 HEADLO C[C@H](OC(=O)C[N@@H+](C)[C@@H]1CCSC1)C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000772045997 1079668280 /nfs/dbraw/zinc/66/82/80/1079668280.db2.gz FGXUZJADMSNGBT-WMLDXEAASA-N 1 2 405.520 2.121 20 0 HEADLO CCOC(=O)c1sc(NC(=O)COC(=O)C[N@H+](C)[C@@H]2CCSC2)cc1C ZINC000772048103 1079669096 /nfs/dbraw/zinc/66/90/96/1079669096.db2.gz KUNFLFXXLXYHSN-GFCCVEGCSA-N 1 2 400.522 2.152 20 0 HEADLO CCOC(=O)c1sc(NC(=O)COC(=O)C[N@@H+](C)[C@@H]2CCSC2)cc1C ZINC000772048103 1079669100 /nfs/dbraw/zinc/66/91/00/1079669100.db2.gz KUNFLFXXLXYHSN-GFCCVEGCSA-N 1 2 400.522 2.152 20 0 HEADLO CCN(CC)C(=O)c1cccc(NC(=O)[C@H](C)OC(=O)C[N@H+](C)[C@H]2CCSC2)c1 ZINC000772049619 1079669792 /nfs/dbraw/zinc/66/97/92/1079669792.db2.gz RMXZXUUEVAITDL-YJBOKZPZSA-N 1 2 421.563 2.476 20 0 HEADLO CCN(CC)C(=O)c1cccc(NC(=O)[C@H](C)OC(=O)C[N@@H+](C)[C@H]2CCSC2)c1 ZINC000772049619 1079669796 /nfs/dbraw/zinc/66/97/96/1079669796.db2.gz RMXZXUUEVAITDL-YJBOKZPZSA-N 1 2 421.563 2.476 20 0 HEADLO O=C(C[NH+]1CCC(C(F)F)CC1)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1 ZINC000767086558 1079669846 /nfs/dbraw/zinc/66/98/46/1079669846.db2.gz IRKVBUXPKDSSNT-UHFFFAOYSA-N 1 2 414.478 2.073 20 0 HEADLO COc1cccc(OCC[NH+]2CCN(C(=O)NC[C@@H]3CSCCS3)CC2)c1 ZINC000767091423 1079672669 /nfs/dbraw/zinc/67/26/69/1079672669.db2.gz KACVVJYIDVPQIN-GOSISDBHSA-N 1 2 411.593 2.250 20 0 HEADLO COc1ccc(CN(C)C(=O)[C@@H](C)OC(=O)C[N@H+](C)[C@@H]2CCSC2)cc1OC ZINC000767115003 1079683855 /nfs/dbraw/zinc/68/38/55/1079683855.db2.gz GMLSPVLIURLGQV-GDBMZVCRSA-N 1 2 410.536 2.031 20 0 HEADLO COc1ccc(CN(C)C(=O)[C@@H](C)OC(=O)C[N@@H+](C)[C@@H]2CCSC2)cc1OC ZINC000767115003 1079683882 /nfs/dbraw/zinc/68/38/82/1079683882.db2.gz GMLSPVLIURLGQV-GDBMZVCRSA-N 1 2 410.536 2.031 20 0 HEADLO CC(=O)OC1CCN(c2cc(C)nc([C@@H](C)[NH+]3CCC(OC(C)=O)CC3)n2)CC1 ZINC000767117641 1079684470 /nfs/dbraw/zinc/68/44/70/1079684470.db2.gz HHCBBTGDTSWVPA-OAHLLOKOSA-N 1 2 404.511 2.405 20 0 HEADLO C[C@@H](C[NH+]1CCOCC1)C(=O)Nc1nc2c(s1)CN(C(=O)OC(C)(C)C)CC2 ZINC000767171740 1079706534 /nfs/dbraw/zinc/70/65/34/1079706534.db2.gz SVYPWPHKPOZOBJ-ZDUSSCGKSA-N 1 2 410.540 2.343 20 0 HEADLO C[C@@H](CONC(=O)CC[NH+]1CCN(c2ccccc2)CC1)NC(=O)OC(C)(C)C ZINC000767177434 1079711018 /nfs/dbraw/zinc/71/10/18/1079711018.db2.gz JONDGDPBQMUHST-KRWDZBQOSA-N 1 2 406.527 2.160 20 0 HEADLO C[C@H]1C[N@@H+]([C@@H]2C[C@@H](C(=O)N3CCSC3)N(C(=O)OC(C)(C)C)C2)CCCC1=O ZINC001170038525 1079724767 /nfs/dbraw/zinc/72/47/67/1079724767.db2.gz LUWNDMXCWHENEG-XHSDSOJGSA-N 1 2 411.568 2.198 20 0 HEADLO C[C@H]1C[N@H+]([C@@H]2C[C@@H](C(=O)N3CCSC3)N(C(=O)OC(C)(C)C)C2)CCCC1=O ZINC001170038525 1079724781 /nfs/dbraw/zinc/72/47/81/1079724781.db2.gz LUWNDMXCWHENEG-XHSDSOJGSA-N 1 2 411.568 2.198 20 0 HEADLO CCc1nn(C)c(Cl)c1C(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000767337862 1079810762 /nfs/dbraw/zinc/81/07/62/1079810762.db2.gz DESNGHZRFFWCTH-UHFFFAOYSA-N 1 2 406.914 2.277 20 0 HEADLO CCc1nn(C)c(Cl)c1C(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000767327411 1079821410 /nfs/dbraw/zinc/82/14/10/1079821410.db2.gz LXEMDAZEELHVOC-UHFFFAOYSA-N 1 2 406.914 2.277 20 0 HEADLO CSc1ccc(NC(=O)C[NH+]2CCC(Oc3ccnc(C(N)=O)c3)CC2)cc1 ZINC000772331132 1079824228 /nfs/dbraw/zinc/82/42/28/1079824228.db2.gz CYMKARIQZOEYAE-UHFFFAOYSA-N 1 2 400.504 2.384 20 0 HEADLO Cc1ccc(F)cc1NC(=O)[C@H](C)[NH+]1CCC(Oc2ccnc(C(N)=O)c2)CC1 ZINC000772346680 1079835467 /nfs/dbraw/zinc/83/54/67/1079835467.db2.gz QFPLBKBYWRQDAI-AWEZNQCLSA-N 1 2 400.454 2.498 20 0 HEADLO O=c1c2sccc2nc(SCCC2OCCO2)n1CCC[NH+]1CCOCC1 ZINC000767394525 1079844768 /nfs/dbraw/zinc/84/47/68/1079844768.db2.gz SIENCQZSNZHXLB-UHFFFAOYSA-N 1 2 411.549 2.035 20 0 HEADLO CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]21C(=O)OCc1cc[nH+]c(N(C)C)c1 ZINC000767466567 1079869192 /nfs/dbraw/zinc/86/91/92/1079869192.db2.gz KPCGIWYPBRPZAC-QFIPXVFZSA-N 1 2 408.458 2.190 20 0 HEADLO COc1cc(S(=O)(=O)Nc2ccc(CN3CC[NH+](C)CC3)cc2)cnc1Cl ZINC000767470765 1079871818 /nfs/dbraw/zinc/87/18/18/1079871818.db2.gz JTUKPWGYJHSMGB-UHFFFAOYSA-N 1 2 410.927 2.292 20 0 HEADLO Cc1cccn2cc(CCNC(=O)c3cccnc3S(=O)(=O)C(F)(F)F)[nH+]c12 ZINC000746540007 1079877684 /nfs/dbraw/zinc/87/76/84/1079877684.db2.gz ONQFXGYIGVIOLE-UHFFFAOYSA-N 1 2 412.393 2.304 20 0 HEADLO COc1ccc(Cl)cc1C(=O)N1CCC[C@@H]1C(=O)OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000767485837 1079901990 /nfs/dbraw/zinc/90/19/90/1079901990.db2.gz VGTGOHCPGHXJJO-SOLBZPMBSA-N 1 2 422.909 2.360 20 0 HEADLO COc1ccc(Cl)cc1C(=O)N1CCC[C@@H]1C(=O)OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000767485837 1079901999 /nfs/dbraw/zinc/90/19/99/1079901999.db2.gz VGTGOHCPGHXJJO-SOLBZPMBSA-N 1 2 422.909 2.360 20 0 HEADLO Cc1ncc(CCNC(=O)C(=O)Nc2cccc([C@@H](C)[NH+]3CCOCC3)c2)s1 ZINC000772528848 1079915446 /nfs/dbraw/zinc/91/54/46/1079915446.db2.gz QBRWUEMSXCQLHB-CQSZACIVSA-N 1 2 402.520 2.142 20 0 HEADLO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000772582266 1079942474 /nfs/dbraw/zinc/94/24/74/1079942474.db2.gz XJAACTYMNGVTGJ-MSOLQXFVSA-N 1 2 417.554 2.108 20 0 HEADLO C[C@@H](OC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1nc(C(C)(C)C)no1 ZINC000767540562 1079946373 /nfs/dbraw/zinc/94/63/73/1079946373.db2.gz ZEKXIOINQHPQMJ-OAHLLOKOSA-N 1 2 415.494 2.495 20 0 HEADLO CN1C(=O)C[C@@H](C(=O)OCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)[C@H]1c1ccc(Cl)c(F)c1 ZINC000767580272 1079965416 /nfs/dbraw/zinc/96/54/16/1079965416.db2.gz NMAZQZXLZHXQKA-NXEZDXNNSA-N 1 2 410.873 2.405 20 0 HEADLO CN1C(=O)C[C@@H](C(=O)OCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)[C@H]1c1ccc(Cl)c(F)c1 ZINC000767580272 1079965441 /nfs/dbraw/zinc/96/54/41/1079965441.db2.gz NMAZQZXLZHXQKA-NXEZDXNNSA-N 1 2 410.873 2.405 20 0 HEADLO COc1cccc(OCC[NH+]2CCN(C(=O)NCCc3cnc(C)s3)CC2)c1 ZINC000772631148 1079989755 /nfs/dbraw/zinc/98/97/55/1079989755.db2.gz MEARUIIODQSRMX-UHFFFAOYSA-N 1 2 404.536 2.409 20 0 HEADLO CC(C)(C)OC(=O)N1CC[C@@H](N(C(=O)NCC[N@@H+]2CCOCC2(C)C)C2CC2)C1 ZINC000772599576 1080002186 /nfs/dbraw/zinc/00/21/86/1080002186.db2.gz IJNQJQLHXMFYGE-QGZVFWFLSA-N 1 2 410.559 2.281 20 0 HEADLO CC(C)(C)OC(=O)N1CC[C@@H](N(C(=O)NCC[N@H+]2CCOCC2(C)C)C2CC2)C1 ZINC000772599576 1080002196 /nfs/dbraw/zinc/00/21/96/1080002196.db2.gz IJNQJQLHXMFYGE-QGZVFWFLSA-N 1 2 410.559 2.281 20 0 HEADLO Cn1cc[nH+]c1[C@H]1CCCN(S(=O)(=O)c2cc(S(C)(=O)=O)ccc2Cl)C1 ZINC000767654812 1080023150 /nfs/dbraw/zinc/02/31/50/1080023150.db2.gz BFITXCVFGBXXTB-LBPRGKRZSA-N 1 2 417.940 2.045 20 0 HEADLO Cc1nn(C)c2sc(C(=O)N[C@@H](C)C(=O)N[C@H](Cn3cc[nH+]c3)C(C)(C)C)cc12 ZINC000742054515 1080034102 /nfs/dbraw/zinc/03/41/02/1080034102.db2.gz ALATVIDOQTTZRL-XJKSGUPXSA-N 1 2 416.551 2.489 20 0 HEADLO C[N@H+](CCC1OCCO1)Cc1cccc(Br)c1OCCS(C)(=O)=O ZINC000785529845 1080039966 /nfs/dbraw/zinc/03/99/66/1080039966.db2.gz PFTUMLPZUNMJNF-UHFFFAOYSA-N 1 2 422.341 2.067 20 0 HEADLO C[N@@H+](CCC1OCCO1)Cc1cccc(Br)c1OCCS(C)(=O)=O ZINC000785529845 1080039977 /nfs/dbraw/zinc/03/99/77/1080039977.db2.gz PFTUMLPZUNMJNF-UHFFFAOYSA-N 1 2 422.341 2.067 20 0 HEADLO COC(=O)c1ccc(S(=O)(=O)Nc2ccccc2N2CC[NH+](C)CC2)c(OC)c1 ZINC000785546948 1080052696 /nfs/dbraw/zinc/05/26/96/1080052696.db2.gz DKPHMKRDPMUSOF-UHFFFAOYSA-N 1 2 419.503 2.034 20 0 HEADLO C[C@@H]1C[NH+](C[C@@H]2CCCN2S(=O)(=O)c2ccc(C3(C)OCCO3)cc2)C[C@@H](C)O1 ZINC000767727479 1080054846 /nfs/dbraw/zinc/05/48/46/1080054846.db2.gz IJDWYNJMWBNHKN-LMMKCTJWSA-N 1 2 424.563 2.168 20 0 HEADLO Cn1cnnc1[C@@H]1CCC[N@@H+]1C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000767755198 1080070993 /nfs/dbraw/zinc/07/09/93/1080070993.db2.gz GPOMVTGOQLKHMN-FHWLQOOXSA-N 1 2 415.538 2.449 20 0 HEADLO Cn1cnnc1[C@@H]1CCC[N@H+]1C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000767755198 1080071005 /nfs/dbraw/zinc/07/10/05/1080071005.db2.gz GPOMVTGOQLKHMN-FHWLQOOXSA-N 1 2 415.538 2.449 20 0 HEADLO Cc1cccn2cc(CCNS(=O)(=O)c3ccc(C4(C)OCCO4)cc3)[nH+]c12 ZINC000767799823 1080103609 /nfs/dbraw/zinc/10/36/09/1080103609.db2.gz DCZLULXTAMACPM-UHFFFAOYSA-N 1 2 401.488 2.383 20 0 HEADLO CCc1nn(C)c(Cl)c1C(=O)OCC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000767837754 1080159974 /nfs/dbraw/zinc/15/99/74/1080159974.db2.gz YNLNDZPYPXHPOV-UHFFFAOYSA-N 1 2 410.927 2.199 20 0 HEADLO O=C(OCc1cccc(Cl)c1Cl)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000785660569 1080181803 /nfs/dbraw/zinc/18/18/03/1080181803.db2.gz KXNFNMCOFYRPQL-CQSZACIVSA-N 1 2 401.290 2.217 20 0 HEADLO Cc1cc(OCCOC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)ccc1C(C)C ZINC000785661168 1080182738 /nfs/dbraw/zinc/18/27/38/1080182738.db2.gz SYKSQWJNQHDLJR-LJQANCHMSA-N 1 2 418.534 2.221 20 0 HEADLO C[C@](O)(C[NH+]1CCC([C@@](C)(O)C(F)(F)F)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000767919857 1080216104 /nfs/dbraw/zinc/21/61/04/1080216104.db2.gz VHBOPTFVHXGNAU-DLBZAZTESA-N 1 2 409.470 2.323 20 0 HEADLO C[C@@](O)(C[NH+]1CCC([C@](C)(O)C(F)(F)F)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000767919860 1080216302 /nfs/dbraw/zinc/21/63/02/1080216302.db2.gz VHBOPTFVHXGNAU-SJORKVTESA-N 1 2 409.470 2.323 20 0 HEADLO Cc1cccc([C@H](O)CNC(=O)NCc2ccccc2OCC[NH+]2CCOCC2)c1 ZINC000767937318 1080231162 /nfs/dbraw/zinc/23/11/62/1080231162.db2.gz BBKWNPCCLRWWEG-OAQYLSRUSA-N 1 2 413.518 2.239 20 0 HEADLO CC(=O)[C@H]1CCCC[N@@H+]1[C@H]1C[C@@H](C(=O)N2CCSC2)N(C(=O)OC(C)(C)C)C1 ZINC001170049890 1080234501 /nfs/dbraw/zinc/23/45/01/1080234501.db2.gz GRCMRVBISWSZBV-BBWFWOEESA-N 1 2 411.568 2.341 20 0 HEADLO CC(=O)[C@H]1CCCC[N@H+]1[C@H]1C[C@@H](C(=O)N2CCSC2)N(C(=O)OC(C)(C)C)C1 ZINC001170049890 1080234512 /nfs/dbraw/zinc/23/45/12/1080234512.db2.gz GRCMRVBISWSZBV-BBWFWOEESA-N 1 2 411.568 2.341 20 0 HEADLO CC(C)(C)OC(=O)N1C[C@@H]([N@@H+]2CCC(=O)C(C)(C)C2)C[C@H]1C(=O)N1CCSC1 ZINC001170049847 1080250130 /nfs/dbraw/zinc/25/01/30/1080250130.db2.gz FRVOYZJNLSTSMC-GJZGRUSLSA-N 1 2 411.568 2.198 20 0 HEADLO CC(C)(C)OC(=O)N1C[C@@H]([N@H+]2CCC(=O)C(C)(C)C2)C[C@H]1C(=O)N1CCSC1 ZINC001170049847 1080250138 /nfs/dbraw/zinc/25/01/38/1080250138.db2.gz FRVOYZJNLSTSMC-GJZGRUSLSA-N 1 2 411.568 2.198 20 0 HEADLO C[C@@](O)(C[N@@H+]1CCC[C@H](Oc2ncccc2F)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000785837520 1080265432 /nfs/dbraw/zinc/26/54/32/1080265432.db2.gz JIQPHCLRJVMRET-OXJNMPFZSA-N 1 2 408.495 2.375 20 0 HEADLO C[C@@](O)(C[N@H+]1CCC[C@H](Oc2ncccc2F)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000785837520 1080265443 /nfs/dbraw/zinc/26/54/43/1080265443.db2.gz JIQPHCLRJVMRET-OXJNMPFZSA-N 1 2 408.495 2.375 20 0 HEADLO COc1ccccc1[C@@H](CNC(=O)N(CCS(C)(=O)=O)C(C)C)[NH+]1CCCC1 ZINC000768021089 1080288010 /nfs/dbraw/zinc/28/80/10/1080288010.db2.gz NKMKTPQOIUUWQD-GOSISDBHSA-N 1 2 411.568 2.297 20 0 HEADLO O=C(NCC[N@@H+]1CCc2c(Cl)cccc2C1)N[C@H](CO)C[C@H](O)c1ccccc1 ZINC000785944344 1080310133 /nfs/dbraw/zinc/31/01/33/1080310133.db2.gz ATSFGZDOWBAJSH-RXVVDRJESA-N 1 2 417.937 2.482 20 0 HEADLO O=C(NCC[N@H+]1CCc2c(Cl)cccc2C1)N[C@H](CO)C[C@H](O)c1ccccc1 ZINC000785944344 1080310135 /nfs/dbraw/zinc/31/01/35/1080310135.db2.gz ATSFGZDOWBAJSH-RXVVDRJESA-N 1 2 417.937 2.482 20 0 HEADLO COc1c(C)c[nH+]c(CNC(=O)C(=O)Nc2cc(C(C)C)nn2-c2ncccn2)c1C ZINC000768116326 1080333024 /nfs/dbraw/zinc/33/30/24/1080333024.db2.gz FCLFAYVORQCGPJ-UHFFFAOYSA-N 1 2 423.477 2.061 20 0 HEADLO CC(C)(C)OC(=O)N1C[C@H]2CC(C(=O)NCCCCn3cc[nH+]c3)C[C@@H](C1)C2=O ZINC000768129066 1080364402 /nfs/dbraw/zinc/36/44/02/1080364402.db2.gz AMLZODXZCZGFDO-ALOPSCKCSA-N 1 2 404.511 2.242 20 0 HEADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2ccc(-n3cc(Br)cn3)nn2)C1 ZINC000768154354 1080374110 /nfs/dbraw/zinc/37/41/10/1080374110.db2.gz NKHGGWLHFOPKGN-GFCCVEGCSA-N 1 2 416.283 2.178 20 0 HEADLO COc1ccc(C2N=NC(=S)N2CCC(=O)N(C)CCCn2cc[nH+]c2)cc1 ZINC000768325382 1080487302 /nfs/dbraw/zinc/48/73/02/1080487302.db2.gz XYFQJPCJKQDASG-UHFFFAOYSA-N 1 2 400.508 2.378 20 0 HEADLO C[C@@]1(Cc2ccccc2)CCCN1C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000768334764 1080492923 /nfs/dbraw/zinc/49/29/23/1080492923.db2.gz WZWLPBZXNQVMBD-NRFANRHFSA-N 1 2 407.580 2.302 20 0 HEADLO Cc1noc(C)c1S(=O)(=O)NC1(C(=O)OCc2cc[nH+]c(N(C)C)c2)CCCC1 ZINC000786298165 1080543559 /nfs/dbraw/zinc/54/35/59/1080543559.db2.gz FWRAIYMCATVRMU-UHFFFAOYSA-N 1 2 422.507 2.087 20 0 HEADLO C[C@H](OC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1)C(=O)NCC(=O)c1ccccc1 ZINC000786304859 1080546726 /nfs/dbraw/zinc/54/67/26/1080546726.db2.gz ZWFBCZOPSRSZCU-RXVVDRJESA-N 1 2 424.497 2.208 20 0 HEADLO C[C@H](OC(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1)C(=O)NCC(=O)c1ccccc1 ZINC000786304859 1080546731 /nfs/dbraw/zinc/54/67/31/1080546731.db2.gz ZWFBCZOPSRSZCU-RXVVDRJESA-N 1 2 424.497 2.208 20 0 HEADLO CCc1ccc([C@@]2(CC)NC(=O)N(C[N@@H+]3CC[C@@H](CN4CCOCC4)C3)C2=O)cc1 ZINC000768497338 1080593159 /nfs/dbraw/zinc/59/31/59/1080593159.db2.gz UMKGCSSSOWYCHE-WMZHIEFXSA-N 1 2 414.550 2.018 20 0 HEADLO CCc1ccc([C@@]2(CC)NC(=O)N(C[N@H+]3CC[C@@H](CN4CCOCC4)C3)C2=O)cc1 ZINC000768497338 1080593169 /nfs/dbraw/zinc/59/31/69/1080593169.db2.gz UMKGCSSSOWYCHE-WMZHIEFXSA-N 1 2 414.550 2.018 20 0 HEADLO COc1c(C)c[nH+]c(CNC(=O)CN2C(=O)N[C@@]3(CCCC(C)(C)C3)C2=O)c1C ZINC000768562833 1080631456 /nfs/dbraw/zinc/63/14/56/1080631456.db2.gz UZHXPEPTYZYBGY-OAQYLSRUSA-N 1 2 402.495 2.214 20 0 HEADLO COC(=O)c1cc(S(=O)(=O)N2C[C@@H](C)[N@H+](C)C[C@H]2C)c(F)cc1Br ZINC000768562580 1080632417 /nfs/dbraw/zinc/63/24/17/1080632417.db2.gz OQCGJBLKYQEDRZ-NXEZZACHSA-N 1 2 423.304 2.088 20 0 HEADLO COC(=O)c1cc(S(=O)(=O)N2C[C@@H](C)[N@@H+](C)C[C@H]2C)c(F)cc1Br ZINC000768562580 1080632423 /nfs/dbraw/zinc/63/24/23/1080632423.db2.gz OQCGJBLKYQEDRZ-NXEZZACHSA-N 1 2 423.304 2.088 20 0 HEADLO CC(C)[C@@H](CNC(=O)C(=O)N1CCC(c2cccc(F)c2)CC1)[NH+]1CCOCC1 ZINC000786462716 1080642715 /nfs/dbraw/zinc/64/27/15/1080642715.db2.gz KFFCMXCUPRPRMR-HXUWFJFHSA-N 1 2 405.514 2.005 20 0 HEADLO Cc1ccc(N2CCN(C(=O)C(=O)NCc3cc[nH+]c(N4CCCC4)c3)CC2)cc1C ZINC000786507884 1080663680 /nfs/dbraw/zinc/66/36/80/1080663680.db2.gz WPAGEWCKOISZGM-UHFFFAOYSA-N 1 2 421.545 2.264 20 0 HEADLO CN(C)c1ccc([NH+]2CCC(NC(=O)NCCC3CCS(=O)(=O)CC3)CC2)cc1 ZINC000768758304 1080776882 /nfs/dbraw/zinc/77/68/82/1080776882.db2.gz MVGJWLKVLCPYBD-UHFFFAOYSA-N 1 2 422.595 2.236 20 0 HEADLO O=C(C[N@H+]1CCCN(S(=O)(=O)/C=C\c2cccc(Cl)c2)CC1)N1CCCC1 ZINC000768803092 1080780066 /nfs/dbraw/zinc/78/00/66/1080780066.db2.gz GBNHJYLMTUXPJX-AUWJEWJLSA-N 1 2 411.955 2.271 20 0 HEADLO O=C(C[N@@H+]1CCCN(S(=O)(=O)/C=C\c2cccc(Cl)c2)CC1)N1CCCC1 ZINC000768803092 1080780074 /nfs/dbraw/zinc/78/00/74/1080780074.db2.gz GBNHJYLMTUXPJX-AUWJEWJLSA-N 1 2 411.955 2.271 20 0 HEADLO CC(C)(C)OC(=O)NC1CC[NH+](CC(=O)Nc2ccc(-n3cccn3)nc2)CC1 ZINC000769101485 1080911691 /nfs/dbraw/zinc/91/16/91/1080911691.db2.gz XTAADUITTABCEN-UHFFFAOYSA-N 1 2 400.483 2.195 20 0 HEADLO Cc1cc(COC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)c2ccccc2n1 ZINC000786998866 1080911936 /nfs/dbraw/zinc/91/19/36/1080911936.db2.gz RGSXDTIPMXPZGH-NRFANRHFSA-N 1 2 411.502 2.300 20 0 HEADLO O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)OCCCOc1ccc(Cl)cc1 ZINC000787002773 1080915254 /nfs/dbraw/zinc/91/52/54/1080915254.db2.gz WVBZJIBYBMHSGT-IBGZPJMESA-N 1 2 424.925 2.365 20 0 HEADLO CC(C)CCc1nc(COC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)cs1 ZINC000787003559 1080917249 /nfs/dbraw/zinc/91/72/49/1080917249.db2.gz YHEVIHKJKJAXID-GOSISDBHSA-N 1 2 423.579 2.488 20 0 HEADLO O=C(NCc1nc(-c2ccccc2)n[nH]1)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000769121773 1080942578 /nfs/dbraw/zinc/94/25/78/1080942578.db2.gz TWWSMQPQSZNUMK-WOJBJXKFSA-N 1 2 420.517 2.154 20 0 HEADLO O=C(NCc1nc(-c2ccccc2)n[nH]1)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000769121773 1080942593 /nfs/dbraw/zinc/94/25/93/1080942593.db2.gz TWWSMQPQSZNUMK-WOJBJXKFSA-N 1 2 420.517 2.154 20 0 HEADLO COC(=O)[C@H](C)NC(=O)c1ccc(F)cc1NC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000769139161 1080956408 /nfs/dbraw/zinc/95/64/08/1080956408.db2.gz LZVLPGCNWYTRNE-ZDUSSCGKSA-N 1 2 412.421 2.254 20 0 HEADLO C[C@H](C(=O)NC1CC1)N1CC[NH+](CCOc2ccccc2C(=O)OC(C)(C)C)CC1 ZINC000769205415 1081001715 /nfs/dbraw/zinc/00/17/15/1081001715.db2.gz MOKNMSCFXDNXHG-QGZVFWFLSA-N 1 2 417.550 2.305 20 0 HEADLO CC(C)NC(=O)CN1CC[NH+](CCOc2ccccc2C(=O)OC(C)(C)C)CC1 ZINC000769205307 1081002217 /nfs/dbraw/zinc/00/22/17/1081002217.db2.gz LMIFEZLNBGBQFR-UHFFFAOYSA-N 1 2 405.539 2.163 20 0 HEADLO CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCN(C(=O)COc3ccc(F)cc3)CC2)C1 ZINC000769300022 1081034177 /nfs/dbraw/zinc/03/41/77/1081034177.db2.gz UJOWDKOBIQAXDO-KRWDZBQOSA-N 1 2 407.486 2.358 20 0 HEADLO COc1cccc(CC(=O)N2CC[NH+]([C@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)c1 ZINC000769299458 1081034749 /nfs/dbraw/zinc/03/47/49/1081034749.db2.gz OTQNLFGWHVFAFQ-SFHVURJKSA-N 1 2 403.523 2.391 20 0 HEADLO C[C@H]1COCC[N@@H+]1CCNC(=O)N1CCC(CNC(=O)OCc2ccccc2)CC1 ZINC000787192610 1081057243 /nfs/dbraw/zinc/05/72/43/1081057243.db2.gz UCIPGXWMNQCGFF-SFHVURJKSA-N 1 2 418.538 2.055 20 0 HEADLO C[C@H]1COCC[N@H+]1CCNC(=O)N1CCC(CNC(=O)OCc2ccccc2)CC1 ZINC000787192610 1081057256 /nfs/dbraw/zinc/05/72/56/1081057256.db2.gz UCIPGXWMNQCGFF-SFHVURJKSA-N 1 2 418.538 2.055 20 0 HEADLO COC(=O)c1cccc(NC(=O)C[N@@H+]2CCC[C@@H](C)[C@@H]2CNC(=O)OC(C)(C)C)n1 ZINC000787254598 1081072832 /nfs/dbraw/zinc/07/28/32/1081072832.db2.gz FHLCNXNOBNALAO-ZBFHGGJFSA-N 1 2 420.510 2.432 20 0 HEADLO COC(=O)c1cccc(NC(=O)C[N@H+]2CCC[C@@H](C)[C@@H]2CNC(=O)OC(C)(C)C)n1 ZINC000787254598 1081072836 /nfs/dbraw/zinc/07/28/36/1081072836.db2.gz FHLCNXNOBNALAO-ZBFHGGJFSA-N 1 2 420.510 2.432 20 0 HEADLO CCOc1c(Br)cc(CN2CC[NH+](CC[S@](C)=O)CC2)cc1OC ZINC000769480485 1081078159 /nfs/dbraw/zinc/07/81/59/1081078159.db2.gz OFJVGZIVRSCTTM-DEOSSOPVSA-N 1 2 419.385 2.353 20 0 HEADLO COc1cc(CNC(=O)C(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)ccc1OC(C)C ZINC000787239009 1081084906 /nfs/dbraw/zinc/08/49/06/1081084906.db2.gz VTXSBJQTHJUKGV-KRWDZBQOSA-N 1 2 414.506 2.238 20 0 HEADLO Cc1ccc(S(=O)(=O)N[C@H](CC[N@@H+](C)CCS(C)(=O)=O)c2ccccc2)cc1 ZINC000746666489 1081096362 /nfs/dbraw/zinc/09/63/62/1081096362.db2.gz OFCDTYHTPQNGBD-HXUWFJFHSA-N 1 2 424.588 2.381 20 0 HEADLO Cc1ccc(S(=O)(=O)N[C@H](CC[N@H+](C)CCS(C)(=O)=O)c2ccccc2)cc1 ZINC000746666489 1081096369 /nfs/dbraw/zinc/09/63/69/1081096369.db2.gz OFCDTYHTPQNGBD-HXUWFJFHSA-N 1 2 424.588 2.381 20 0 HEADLO Cc1csc(CCC(=O)OCC(=O)NCc2ccccc2C[NH+]2CCOCC2)n1 ZINC000769500791 1081098393 /nfs/dbraw/zinc/09/83/93/1081098393.db2.gz FQZFQRUAGKIIAQ-UHFFFAOYSA-N 1 2 417.531 2.076 20 0 HEADLO CCO[C@H](C)c1noc(CN2CC[NH+]([C@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)n1 ZINC000769506910 1081100392 /nfs/dbraw/zinc/10/03/92/1081100392.db2.gz IGADFJDPGAKXQD-CVEARBPZSA-N 1 2 409.531 2.294 20 0 HEADLO CCS(=O)(=O)CCN(C)C(=O)NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000769529217 1081110308 /nfs/dbraw/zinc/11/03/08/1081110308.db2.gz AHTSGYYZDXQUEY-OAHLLOKOSA-N 1 2 409.474 2.384 20 0 HEADLO Cc1nn(C)c(C)c1[C@H](O)CNC(=O)NCCN(Cc1ccccc1)c1cccc[nH+]1 ZINC001687512824 1081143203 /nfs/dbraw/zinc/14/32/03/1081143203.db2.gz QSPACVQQYASXGV-HXUWFJFHSA-N 1 2 422.533 2.471 20 0 HEADLO Cc1nn(C)c(C)c1[C@@H](O)CNC(=O)NCCN(Cc1ccccc1)c1cccc[nH+]1 ZINC001687512823 1081143295 /nfs/dbraw/zinc/14/32/95/1081143295.db2.gz QSPACVQQYASXGV-FQEVSTJZSA-N 1 2 422.533 2.471 20 0 HEADLO COCCN1CC[N@H+](C)C2(CCN(c3nnc(Cl)c4ccsc43)CC2)C1=O ZINC001164635392 719270995 /nfs/dbraw/zinc/27/09/95/719270995.db2.gz PYOJAOXQPQQEGE-UHFFFAOYSA-N 1 2 409.943 2.104 20 0 HEADLO COCCN1CC[N@@H+](C)C2(CCN(c3nnc(Cl)c4ccsc43)CC2)C1=O ZINC001164635392 719270996 /nfs/dbraw/zinc/27/09/96/719270996.db2.gz PYOJAOXQPQQEGE-UHFFFAOYSA-N 1 2 409.943 2.104 20 0 HEADLO CCc1c(Cl)nnc(N2CCC3(CC2)C(=O)N(CCOC)CC[N@H+]3C)c1CC ZINC001164641962 719275255 /nfs/dbraw/zinc/27/52/55/719275255.db2.gz VNOWSMJNQGAFNV-UHFFFAOYSA-N 1 2 409.962 2.014 20 0 HEADLO CCc1c(Cl)nnc(N2CCC3(CC2)C(=O)N(CCOC)CC[N@@H+]3C)c1CC ZINC001164641962 719275260 /nfs/dbraw/zinc/27/52/60/719275260.db2.gz VNOWSMJNQGAFNV-UHFFFAOYSA-N 1 2 409.962 2.014 20 0 HEADLO CC(C)(C)C(=O)Nc1ccnc(N2CCCC(=O)CC2)c1C[N@@H+]1CC[C@@H](CO)C1 ZINC001164645940 719286561 /nfs/dbraw/zinc/28/65/61/719286561.db2.gz MHZZLWSGWHFCCD-MRXNPFEDSA-N 1 2 402.539 2.440 20 0 HEADLO CC(C)(C)C(=O)Nc1ccnc(N2CCCC(=O)CC2)c1C[N@H+]1CC[C@@H](CO)C1 ZINC001164645940 719286566 /nfs/dbraw/zinc/28/65/66/719286566.db2.gz MHZZLWSGWHFCCD-MRXNPFEDSA-N 1 2 402.539 2.440 20 0 HEADLO COC(=O)c1ccc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)nn1 ZINC001164671111 719496297 /nfs/dbraw/zinc/49/62/97/719496297.db2.gz BMNSSTPTCSSFNQ-UHFFFAOYSA-N 1 2 400.454 2.274 20 0 HEADLO COC(=O)c1ccc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)nn1 ZINC001164671111 719496302 /nfs/dbraw/zinc/49/63/02/719496302.db2.gz BMNSSTPTCSSFNQ-UHFFFAOYSA-N 1 2 400.454 2.274 20 0 HEADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1nccc3ccc(F)cc31)CC2 ZINC001164708432 719911700 /nfs/dbraw/zinc/91/17/00/719911700.db2.gz CYOXOGQGMHQYBH-UHFFFAOYSA-N 1 2 408.481 2.058 20 0 HEADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ccc(C5CC5)nn4)CC3)C2=O)cs1 ZINC001164819702 720371148 /nfs/dbraw/zinc/37/11/48/720371148.db2.gz GNNFAJXCFMFZFS-UHFFFAOYSA-N 1 2 412.563 2.432 20 0 HEADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ccc(C5CC5)nn4)CC3)C2=O)cs1 ZINC001164819702 720371161 /nfs/dbraw/zinc/37/11/61/720371161.db2.gz GNNFAJXCFMFZFS-UHFFFAOYSA-N 1 2 412.563 2.432 20 0 HEADLO FC(F)(COc1ccnc(Cl)c1)N1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001164828614 720398055 /nfs/dbraw/zinc/39/80/55/720398055.db2.gz JFFQDFFIIZPOSB-UHFFFAOYSA-N 1 2 409.828 2.449 20 0 HEADLO Cc1cc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)nc2[nH]ccc21 ZINC001164830725 720462255 /nfs/dbraw/zinc/46/22/55/720462255.db2.gz LNHQIUUIUCIKEU-KRWDZBQOSA-N 1 2 410.522 2.057 20 0 HEADLO Cc1cc(C(F)(F)N2CCCn3c(=O)cc(Cn4cc[nH+]c4)nc3C2)nc(Cl)n1 ZINC001164857824 720895472 /nfs/dbraw/zinc/89/54/72/720895472.db2.gz KABVTLZJRAGUSM-UHFFFAOYSA-N 1 2 421.839 2.195 20 0 HEADLO Nc1cc(Cl)nc(C(F)(F)N2CCCn3c(=O)cc(Cn4cc[nH+]c4)nc3C2)c1 ZINC001164856851 720896197 /nfs/dbraw/zinc/89/61/97/720896197.db2.gz HDZVDCSGSZYSHP-UHFFFAOYSA-N 1 2 421.839 2.074 20 0 HEADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(C(F)(F)COc1cncc(Cl)n1)C2 ZINC001165009687 721714731 /nfs/dbraw/zinc/71/47/31/721714731.db2.gz VJTDQXUMUXSSNE-UHFFFAOYSA-N 1 2 415.876 2.439 20 0 HEADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(C(F)(F)COc1cncc(Cl)n1)C2 ZINC001165009687 721714737 /nfs/dbraw/zinc/71/47/37/721714737.db2.gz VJTDQXUMUXSSNE-UHFFFAOYSA-N 1 2 415.876 2.439 20 0 HEADLO CSc1nc(C)cc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164911076 721767439 /nfs/dbraw/zinc/76/74/39/721767439.db2.gz DWGPJLIYUJNDKX-FQEVSTJZSA-N 1 2 401.536 2.010 20 0 HEADLO CSc1nc(C)cc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164911076 721767442 /nfs/dbraw/zinc/76/74/42/721767442.db2.gz DWGPJLIYUJNDKX-FQEVSTJZSA-N 1 2 401.536 2.010 20 0 HEADLO Cc1nc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nc2ccccc12 ZINC001164913564 721780104 /nfs/dbraw/zinc/78/01/04/721780104.db2.gz XLAVFLXSXVNPNW-HSZRJFAPSA-N 1 2 405.502 2.441 20 0 HEADLO Cc1nc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nc2ccccc12 ZINC001164913564 721780110 /nfs/dbraw/zinc/78/01/10/721780110.db2.gz XLAVFLXSXVNPNW-HSZRJFAPSA-N 1 2 405.502 2.441 20 0 HEADLO COc1cccc2cnc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)nc21 ZINC001164915558 721784221 /nfs/dbraw/zinc/78/42/21/721784221.db2.gz LCOOWDDDZANHSX-HSZRJFAPSA-N 1 2 421.501 2.141 20 0 HEADLO COc1cccc2cnc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)nc21 ZINC001164915558 721784223 /nfs/dbraw/zinc/78/42/23/721784223.db2.gz LCOOWDDDZANHSX-HSZRJFAPSA-N 1 2 421.501 2.141 20 0 HEADLO c1ccc(-c2ccc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)nn2)nc1 ZINC001164915718 721797165 /nfs/dbraw/zinc/79/71/65/721797165.db2.gz YVEMVPJWSFJWJM-HSZRJFAPSA-N 1 2 418.501 2.041 20 0 HEADLO c1ccc(-c2ccc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)nn2)nc1 ZINC001164915718 721797168 /nfs/dbraw/zinc/79/71/68/721797168.db2.gz YVEMVPJWSFJWJM-HSZRJFAPSA-N 1 2 418.501 2.041 20 0 HEADLO CCOC(=O)c1c[nH]c2nc[nH+]c(N3CCC4(CC3)c3ncc(C)n3CCN4C)c12 ZINC001164918380 721813806 /nfs/dbraw/zinc/81/38/06/721813806.db2.gz VJSMZCWTVAKLDA-UHFFFAOYSA-N 1 2 409.494 2.081 20 0 HEADLO COC(=O)c1c(Cl)cnc(N2CCC3(CC2)c2[nH+]cc(C)n2CCN3C)c1OC ZINC001164917853 721818280 /nfs/dbraw/zinc/81/82/80/721818280.db2.gz JSBUESSIWNSHGW-UHFFFAOYSA-N 1 2 419.913 2.476 20 0 HEADLO CCOC(=O)c1ncnc(Cl)c1N1CCC2(CC1)c1[nH+]cc(C)n1CCN2C ZINC001164917035 721818454 /nfs/dbraw/zinc/81/84/54/721818454.db2.gz AQSOVGXSDCVEIF-UHFFFAOYSA-N 1 2 404.902 2.253 20 0 HEADLO COc1cc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)nc(SC)n1 ZINC001164946889 721973659 /nfs/dbraw/zinc/97/36/59/721973659.db2.gz YNQXTUOSTYHTMP-UHFFFAOYSA-N 1 2 413.547 2.178 20 0 HEADLO COc1cc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)nc(SC)n1 ZINC001164946889 721973661 /nfs/dbraw/zinc/97/36/61/721973661.db2.gz YNQXTUOSTYHTMP-UHFFFAOYSA-N 1 2 413.547 2.178 20 0 HEADLO Cc1noc(-c2ccnc(N3CCC4(CC3)C(=O)NCC[N@H+]4Cc3ccccc3)c2)n1 ZINC001164947335 721978922 /nfs/dbraw/zinc/97/89/22/721978922.db2.gz GQSNANMIVVRKPW-UHFFFAOYSA-N 1 2 418.501 2.411 20 0 HEADLO Cc1noc(-c2ccnc(N3CCC4(CC3)C(=O)NCC[N@@H+]4Cc3ccccc3)c2)n1 ZINC001164947335 721978926 /nfs/dbraw/zinc/97/89/26/721978926.db2.gz GQSNANMIVVRKPW-UHFFFAOYSA-N 1 2 418.501 2.411 20 0 HEADLO CC(=O)N1CCC[C@]2(C1)CN(c1ncnc3c1C[N@H+](Cc1ccccc1)CC3)CCO2 ZINC001164969057 722083295 /nfs/dbraw/zinc/08/32/95/722083295.db2.gz JOHZJXRPYBXPJE-DEOSSOPVSA-N 1 2 421.545 2.253 20 0 HEADLO CC(=O)N1CCC[C@]2(C1)CN(c1ncnc3c1C[N@@H+](Cc1ccccc1)CC3)CCO2 ZINC001164969057 722083296 /nfs/dbraw/zinc/08/32/96/722083296.db2.gz JOHZJXRPYBXPJE-DEOSSOPVSA-N 1 2 421.545 2.253 20 0 HEADLO CCN(CC)c1cc(N2CC[C@]3(C2)CN(c2cccc(F)c2)C(=O)CN3C)nc[nH+]1 ZINC001165007769 722266269 /nfs/dbraw/zinc/26/62/69/722266269.db2.gz UFGAMPRLUGDWFA-QFIPXVFZSA-N 1 2 412.513 2.389 20 0 HEADLO Cn1cc([C@H](O)CNC(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)cn1 ZINC000745488528 1078497889 /nfs/dbraw/zinc/49/78/89/1078497889.db2.gz VGBGUZXPOAGDHY-IAGOWNOFSA-N 1 2 409.893 2.382 20 0 HEADLO CCCCC[C@@H](C)CC(=O)OCC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000745491901 1078507178 /nfs/dbraw/zinc/50/71/78/1078507178.db2.gz MWLRSPNEADTGQF-MRXNPFEDSA-N 1 2 416.526 2.162 20 0 HEADLO O=C(CCC(F)(F)F)OCC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000745523029 1078522189 /nfs/dbraw/zinc/52/21/89/1078522189.db2.gz XMEOQFHPWFOABT-UHFFFAOYSA-N 1 2 400.397 2.151 20 0 HEADLO CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)c1 ZINC000769770386 1078548098 /nfs/dbraw/zinc/54/80/98/1078548098.db2.gz KNKJDZAAYGNJPC-ZDUSSCGKSA-N 1 2 410.927 2.344 20 0 HEADLO CC(C)[C@@H](Oc1cccc(Cl)c1)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000769801740 1078570367 /nfs/dbraw/zinc/57/03/67/1078570367.db2.gz MNFIMGDCRYPDCB-GOSISDBHSA-N 1 2 416.971 2.369 20 0 HEADLO O=C(C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCO[C@H]1C1CC1)C2)NCC1CCCCC1 ZINC001109542870 1078588727 /nfs/dbraw/zinc/58/87/27/1078588727.db2.gz QZEHSHFLDSYETJ-KOVVAJLHSA-N 1 2 403.567 2.220 20 0 HEADLO O=C(C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCO[C@H]1C1CC1)C2)NCC1CCCCC1 ZINC001109542870 1078588741 /nfs/dbraw/zinc/58/87/41/1078588741.db2.gz QZEHSHFLDSYETJ-KOVVAJLHSA-N 1 2 403.567 2.220 20 0 HEADLO CCS(=O)(=O)CCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1OC[C@@H]3CCC[C@@H]31)C2 ZINC001109535147 1078592294 /nfs/dbraw/zinc/59/22/94/1078592294.db2.gz CORHYKJLFFRCKH-DWIKVQACSA-N 1 2 412.596 2.128 20 0 HEADLO CCS(=O)(=O)CCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1OC[C@@H]3CCC[C@@H]31)C2 ZINC001109535147 1078592298 /nfs/dbraw/zinc/59/22/98/1078592298.db2.gz CORHYKJLFFRCKH-DWIKVQACSA-N 1 2 412.596 2.128 20 0 HEADLO CCN(C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[C@@H]3O[C@H]1[C@H]1C[C@H]13)C2)c1ccccc1 ZINC001109538530 1078603149 /nfs/dbraw/zinc/60/31/49/1078603149.db2.gz GVOMNPQZMPUXTK-KSZDVZKTSA-N 1 2 409.530 2.184 20 0 HEADLO CCN(C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[C@@H]3O[C@H]1[C@H]1C[C@H]13)C2)c1ccccc1 ZINC001109538530 1078603155 /nfs/dbraw/zinc/60/31/55/1078603155.db2.gz GVOMNPQZMPUXTK-KSZDVZKTSA-N 1 2 409.530 2.184 20 0 HEADLO CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)C[N@@H+]2CC[C@@H](CC(F)(F)F)C2)C1=O ZINC000769846590 1078605636 /nfs/dbraw/zinc/60/56/36/1078605636.db2.gz PWYUZKYBLYBGGD-SCLBCKFNSA-N 1 2 412.412 2.149 20 0 HEADLO CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)C[N@H+]2CC[C@@H](CC(F)(F)F)C2)C1=O ZINC000769846590 1078605643 /nfs/dbraw/zinc/60/56/43/1078605643.db2.gz PWYUZKYBLYBGGD-SCLBCKFNSA-N 1 2 412.412 2.149 20 0 HEADLO C[C@@H]1CC[C@@H](CCC(=O)OCC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)O1 ZINC000745703745 1078610018 /nfs/dbraw/zinc/61/00/18/1078610018.db2.gz IVQLLITWTQUFCI-XLIONFOSSA-N 1 2 416.518 2.157 20 0 HEADLO C[C@@H](NC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1)c1ccc(N2CCCC2=O)cc1 ZINC000745778951 1078639264 /nfs/dbraw/zinc/63/92/64/1078639264.db2.gz KEDXMRYBRHKDOT-YLJYHZDGSA-N 1 2 400.523 2.381 20 0 HEADLO C[C@H](NC(=O)N1CCC[C@H]1C[NH+]1CCOCC1)c1ccc(N2CCOC2=O)cc1 ZINC000745781657 1078640925 /nfs/dbraw/zinc/64/09/25/1078640925.db2.gz OUVGBRGIGVHIHJ-LPHOPBHVSA-N 1 2 402.495 2.210 20 0 HEADLO C[C@@H](CNC(=O)NCC[N@@H+]1CCO[C@@H](C)C1)Oc1cccc(Br)c1 ZINC000745793473 1078649846 /nfs/dbraw/zinc/64/98/46/1078649846.db2.gz UWBXHDIPUVSKCA-KBPBESRZSA-N 1 2 400.317 2.236 20 0 HEADLO C[C@@H](CNC(=O)NCC[N@H+]1CCO[C@@H](C)C1)Oc1cccc(Br)c1 ZINC000745793473 1078649855 /nfs/dbraw/zinc/64/98/55/1078649855.db2.gz UWBXHDIPUVSKCA-KBPBESRZSA-N 1 2 400.317 2.236 20 0 HEADLO CC(C)(C)OC(=O)N1CCC[C@@H](CNC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)C1 ZINC000745797628 1078651583 /nfs/dbraw/zinc/65/15/83/1078651583.db2.gz NUAGRXUUEURNPN-ZWKOTPCHSA-N 1 2 410.559 2.140 20 0 HEADLO CC(C)(C)OC(=O)NC1CCC(NC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)CC1 ZINC000745835210 1078660359 /nfs/dbraw/zinc/66/03/59/1078660359.db2.gz XWDPEHPRDKEQFS-DAWZGUTISA-N 1 2 410.559 2.329 20 0 HEADLO COC(=O)c1ccsc1N1CC[C@H]([NH+]2CCC(C(=O)NCC(C)C)CC2)C1=O ZINC000745943015 1078707929 /nfs/dbraw/zinc/70/79/29/1078707929.db2.gz XWJBPUXOMBTLJS-INIZCTEOSA-N 1 2 407.536 2.124 20 0 HEADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000770215380 1078790413 /nfs/dbraw/zinc/79/04/13/1078790413.db2.gz UJFVKUBKIPXIGG-INIZCTEOSA-N 1 2 420.510 2.191 20 0 HEADLO COC(=O)c1cc(F)c(Br)c(S(=O)(=O)N2C[C@@H](C)[N@H+](C)C[C@H]2C)c1 ZINC000770268817 1078799627 /nfs/dbraw/zinc/79/96/27/1078799627.db2.gz FKOGFZJCBBMYBP-NXEZZACHSA-N 1 2 423.304 2.088 20 0 HEADLO COC(=O)c1cc(F)c(Br)c(S(=O)(=O)N2C[C@@H](C)[N@@H+](C)C[C@H]2C)c1 ZINC000770268817 1078799638 /nfs/dbraw/zinc/79/96/38/1078799638.db2.gz FKOGFZJCBBMYBP-NXEZZACHSA-N 1 2 423.304 2.088 20 0 HEADLO COCC[N@H+](CC(=O)NN1C(=O)NC2(CCC(C)CC2)C1=O)[C@@H](C)c1ccccc1 ZINC000746152072 1078807497 /nfs/dbraw/zinc/80/74/97/1078807497.db2.gz YJYLYTCBEZLIMI-JQHMZKTJSA-N 1 2 416.522 2.228 20 0 HEADLO COCC[N@@H+](CC(=O)NN1C(=O)NC2(CCC(C)CC2)C1=O)[C@@H](C)c1ccccc1 ZINC000746152072 1078807499 /nfs/dbraw/zinc/80/74/99/1078807499.db2.gz YJYLYTCBEZLIMI-JQHMZKTJSA-N 1 2 416.522 2.228 20 0 HEADLO CSCC[C@H](NS(=O)(=O)C=Cc1ccccc1)C(=O)Nc1cc[nH+]c(C)c1 ZINC000770291331 1078817789 /nfs/dbraw/zinc/81/77/89/1078817789.db2.gz ILPXWTKXNVNLSH-HGZMWJMZSA-N 1 2 405.545 2.462 20 0 HEADLO CC(C)(C)OC(=O)N1CC(CC(=O)N[C@@H](Cc2ccccc2)C[NH+]2CCOCC2)C1 ZINC000746248907 1078831505 /nfs/dbraw/zinc/83/15/05/1078831505.db2.gz DRJZOKZCAZFPHZ-FQEVSTJZSA-N 1 2 417.550 2.303 20 0 HEADLO C[NH+]1CCC2(CCN2C(=O)c2ccc(S(=O)(=O)Nc3nccs3)cc2)CC1 ZINC000746292941 1078851734 /nfs/dbraw/zinc/85/17/34/1078851734.db2.gz GHVJECAGEFTZPJ-UHFFFAOYSA-N 1 2 406.533 2.254 20 0 HEADLO COc1ccc([C@H]2[C@@H](C(=O)N3CCC([N@H+](C)CC(F)F)CC3)CC(=O)N2C)cc1 ZINC000746320024 1078857309 /nfs/dbraw/zinc/85/73/09/1078857309.db2.gz KRWYEHDQUSNXGR-PXNSSMCTSA-N 1 2 409.477 2.403 20 0 HEADLO COc1ccc([C@H]2[C@@H](C(=O)N3CCC([N@@H+](C)CC(F)F)CC3)CC(=O)N2C)cc1 ZINC000746320024 1078857315 /nfs/dbraw/zinc/85/73/15/1078857315.db2.gz KRWYEHDQUSNXGR-PXNSSMCTSA-N 1 2 409.477 2.403 20 0 HEADLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)Nc1ccnn1CCc1ccccc1 ZINC000746354915 1078871543 /nfs/dbraw/zinc/87/15/43/1078871543.db2.gz NKYDTHMNLGSGSU-SFHVURJKSA-N 1 2 408.506 2.492 20 0 HEADLO COC(=O)CN(CC[NH+]1CCOCC1)Cn1c2cc(Cl)ccc2n(C)c1=S ZINC000746379746 1078884650 /nfs/dbraw/zinc/88/46/50/1078884650.db2.gz JAVAXMNFZQRFLZ-UHFFFAOYSA-N 1 2 412.943 2.127 20 0 HEADLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)C(=O)Nc3ccnn3CC3CC3)CC2)c1 ZINC000746394515 1078894005 /nfs/dbraw/zinc/89/40/05/1078894005.db2.gz FFOYOJPOSQJVJK-INIZCTEOSA-N 1 2 411.506 2.146 20 0 HEADLO COC(=O)c1c(F)ccc(S(=O)(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)c1F ZINC000746401540 1078899884 /nfs/dbraw/zinc/89/98/84/1078899884.db2.gz XWAKZSDGEMUCPY-CYBMUJFWSA-N 1 2 414.430 2.460 20 0 HEADLO CC/C=C(\C)C(=O)N1CSC[C@H]1C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000770664642 1078925066 /nfs/dbraw/zinc/92/50/66/1078925066.db2.gz IKXVRJSMKRRTHT-ANQFXYINSA-N 1 2 404.536 2.423 20 0 HEADLO COCCOC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(N3CCOCC3)[nH+]c2C)c1C ZINC000770667152 1078925508 /nfs/dbraw/zinc/92/55/08/1078925508.db2.gz UEIJKOPBBZWPGR-UHFFFAOYSA-N 1 2 416.478 2.227 20 0 HEADLO O=C(c1ccc(S[C@H]2CCOC2=O)cc1)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000770656591 1078942852 /nfs/dbraw/zinc/94/28/52/1078942852.db2.gz KUFVOOQFMNSXRY-MJGOQNOKSA-N 1 2 404.532 2.421 20 0 HEADLO C[C@@H]1CCN(S(=O)(=O)c2cc(S(C)(=O)=O)sc2Cl)C[C@@H]1n1cc[nH+]c1 ZINC000770693861 1078962676 /nfs/dbraw/zinc/96/26/76/1078962676.db2.gz ZBCKNRIQOOEKGC-MNOVXSKESA-N 1 2 423.969 2.273 20 0 HEADLO CN(CC(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc(C(F)(F)F)cc1C=O ZINC000746446135 1078968242 /nfs/dbraw/zinc/96/82/42/1078968242.db2.gz DEJDPQKCQMSMIK-KRWDZBQOSA-N 1 2 413.440 2.277 20 0 HEADLO C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)[N@H+](C)Cc1ccc(Cl)nc1 ZINC000746449880 1078991245 /nfs/dbraw/zinc/99/12/45/1078991245.db2.gz GYKCXCUVDKRURY-ZDUSSCGKSA-N 1 2 410.927 2.444 20 0 HEADLO C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)[N@@H+](C)Cc1ccc(Cl)nc1 ZINC000746449880 1078991258 /nfs/dbraw/zinc/99/12/58/1078991258.db2.gz GYKCXCUVDKRURY-ZDUSSCGKSA-N 1 2 410.927 2.444 20 0 HEADLO O=C(CN1CC[NH+](Cc2cccc(O)c2)CC1)Nc1ccccc1C(=O)NC1CC1 ZINC000746458066 1078998522 /nfs/dbraw/zinc/99/85/22/1078998522.db2.gz FYOOLDOSZBZSDP-UHFFFAOYSA-N 1 2 408.502 2.041 20 0 HEADLO O=C(CN(CC[NH+]1CCOCC1)c1ccccc1)Nc1ccccc1C(=O)NC1CC1 ZINC000746462340 1079016075 /nfs/dbraw/zinc/01/60/75/1079016075.db2.gz ADDOHXBCANQOOF-UHFFFAOYSA-N 1 2 422.529 2.356 20 0 HEADLO CCOC(=O)c1ccc(NC(=S)NCC2([NH+]3CCOCC3)CC(OCC)C2)cc1 ZINC000766522025 1079067591 /nfs/dbraw/zinc/06/75/91/1079067591.db2.gz JKHVMAVUOQIQPZ-UHFFFAOYSA-N 1 2 421.563 2.420 20 0 HEADLO COCC[N@H+](CCOc1ccccc1C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 ZINC001168924883 1079077176 /nfs/dbraw/zinc/07/71/76/1079077176.db2.gz JCJOIHZKROTWQD-INIZCTEOSA-N 1 2 413.536 2.156 20 0 HEADLO COCC[N@@H+](CCOc1ccccc1C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 ZINC001168924883 1079077184 /nfs/dbraw/zinc/07/71/84/1079077184.db2.gz JCJOIHZKROTWQD-INIZCTEOSA-N 1 2 413.536 2.156 20 0 HEADLO COc1ccc(CN2CC[C@H]([N@@H+]3CCn4c(Cn5cccn5)cnc4C3)CC2=O)cc1 ZINC001168935559 1079078969 /nfs/dbraw/zinc/07/89/69/1079078969.db2.gz XYBFSEWBYVGGMX-IBGZPJMESA-N 1 2 420.517 2.143 20 0 HEADLO COc1ccc(CN2CC[C@H]([N@H+]3CCn4c(Cn5cccn5)cnc4C3)CC2=O)cc1 ZINC001168935559 1079078978 /nfs/dbraw/zinc/07/89/78/1079078978.db2.gz XYBFSEWBYVGGMX-IBGZPJMESA-N 1 2 420.517 2.143 20 0 HEADLO CCOC1CC(CNC(=S)Nc2ccc3c(c2)OCCO3)([NH+]2CCOCC2)C1 ZINC000766522595 1079067825 /nfs/dbraw/zinc/06/78/25/1079067825.db2.gz NFYQLPPSRJHGAA-UHFFFAOYSA-N 1 2 407.536 2.014 20 0 HEADLO COc1ccc(C(=O)OCc2cccc3[nH+]ccn32)cc1S(=O)(=O)N1CCCC1 ZINC000770921990 1079081662 /nfs/dbraw/zinc/08/16/62/1079081662.db2.gz ITDKJWNEICSWPY-UHFFFAOYSA-N 1 2 415.471 2.484 20 0 HEADLO O=C(N1CCO[C@@H](C[NH+]2CCOCC2)C1)C(F)(F)c1ccc(Br)cc1 ZINC001169001824 1079096482 /nfs/dbraw/zinc/09/64/82/1079096482.db2.gz IKRBGTGGLWPADJ-HNNXBMFYSA-N 1 2 419.266 2.101 20 0 HEADLO C[C@@H]([NH2+]CC(=O)N1CCN(c2ccc(F)cc2)CC1)c1nnc2n1CCCCC2 ZINC001169033690 1079104823 /nfs/dbraw/zinc/10/48/23/1079104823.db2.gz SGEMQPNCECFFTO-MRXNPFEDSA-N 1 2 400.502 2.143 20 0 HEADLO O=C(COC(=O)c1cnccc1Cl)NCc1ccccc1C[NH+]1CCOCC1 ZINC000771070170 1079126440 /nfs/dbraw/zinc/12/64/40/1079126440.db2.gz LUKZFWWMNYTGQZ-UHFFFAOYSA-N 1 2 403.866 2.040 20 0 HEADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)CN1C(=S)N=NC1c1cccs1 ZINC000771064456 1079122677 /nfs/dbraw/zinc/12/26/77/1079122677.db2.gz PHPDJUYFEHHBPL-UHFFFAOYSA-N 1 2 416.532 2.474 20 0 HEADLO CCCN(CCNC(=O)C(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21)C(=O)OC(C)(C)C ZINC000804308259 1079132128 /nfs/dbraw/zinc/13/21/28/1079132128.db2.gz YGAOXBMJIPWYNV-GOSISDBHSA-N 1 2 418.538 2.053 20 0 HEADLO CCCN(CCNC(=O)C(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21)C(=O)OC(C)(C)C ZINC000804308259 1079132137 /nfs/dbraw/zinc/13/21/37/1079132137.db2.gz YGAOXBMJIPWYNV-GOSISDBHSA-N 1 2 418.538 2.053 20 0 HEADLO CCOC(=O)c1cc2c[nH+]c(N[C@@H](CO)[C@@H](O)c3ccc(SC)cc3)nc2[nH]1 ZINC001169087854 1079137148 /nfs/dbraw/zinc/13/71/48/1079137148.db2.gz JNBFMEGKQVNHGM-HOTGVXAUSA-N 1 2 402.476 2.315 20 0 HEADLO CC(C)(C)OC(=O)N1CCN(CC(=O)NCCn2c[nH+]cc2-c2ccccc2)CC1 ZINC001169167851 1079175977 /nfs/dbraw/zinc/17/59/77/1079175977.db2.gz MZDQXLYHLZJQQC-UHFFFAOYSA-N 1 2 413.522 2.219 20 0 HEADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)NCc2cccc(-c3cccnc3)c2)CC1 ZINC000766618351 1079188128 /nfs/dbraw/zinc/18/81/28/1079188128.db2.gz XOJJVRZUYVYRRI-UHFFFAOYSA-N 1 2 416.547 2.057 20 0 HEADLO NC(=O)N[C@@H](CC(=O)NCc1cc[nH+]c(N2CCSCC2)c1)c1cccs1 ZINC001169225756 1079203092 /nfs/dbraw/zinc/20/30/92/1079203092.db2.gz LFIPGJLUDVYWLV-AWEZNQCLSA-N 1 2 405.549 2.112 20 0 HEADLO O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)NC1CCC(O)(c2cccnc2)CC1 ZINC000771288478 1079241889 /nfs/dbraw/zinc/24/18/89/1079241889.db2.gz RZYRTNPJYGAZAH-MHIUNMELSA-N 1 2 424.545 2.412 20 0 HEADLO O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)NC1CCC(O)(c2cccnc2)CC1 ZINC000771288478 1079241897 /nfs/dbraw/zinc/24/18/97/1079241897.db2.gz RZYRTNPJYGAZAH-MHIUNMELSA-N 1 2 424.545 2.412 20 0 HEADLO CS(=O)(=O)[C@H]1CCCN(C(=O)NCCN(Cc2ccccc2)c2cccc[nH+]2)C1 ZINC001687511605 1079273968 /nfs/dbraw/zinc/27/39/68/1079273968.db2.gz ZHCAEBFLWTUNOI-IBGZPJMESA-N 1 2 416.547 2.307 20 0 HEADLO Cc1[nH+]ccn1-c1ccc(CNC(=O)NCc2nc(COc3ccccc3)n[nH]2)cn1 ZINC000771301922 1079274381 /nfs/dbraw/zinc/27/43/81/1079274381.db2.gz ZZPCLXVTERDRQL-UHFFFAOYSA-N 1 2 418.461 2.272 20 0 HEADLO CN(C)c1ccc([NH+]2CCC(NC(=O)N[C@H]3CCO[C@]4(CCOC4)C3)CC2)cc1 ZINC000771423757 1079315461 /nfs/dbraw/zinc/31/54/61/1079315461.db2.gz RBIFCGSDIYIJNL-PGRDOPGGSA-N 1 2 402.539 2.359 20 0 HEADLO O=C(OCc1ccccc1)[C@H]1CCC[NH2+][C@H](Nc2nccc(N3CCOCC3)n2)C1 ZINC001169503981 1079315844 /nfs/dbraw/zinc/31/58/44/1079315844.db2.gz MHBLCSXUOQDRKA-RBUKOAKNSA-N 1 2 411.506 2.184 20 0 HEADLO CS(=O)(=O)c1ccnc(N[C@@H]2C[C@@H](C(=O)OCc3ccccc3)CCC[NH2+]2)c1 ZINC001169513100 1079318787 /nfs/dbraw/zinc/31/87/87/1079318787.db2.gz NYZBAZDPJROMFK-FUHWJXTLSA-N 1 2 403.504 2.356 20 0 HEADLO CS(=O)(=O)c1cncc(N[C@@H]2C[C@@H](C(=O)OCc3ccccc3)CCC[NH2+]2)c1 ZINC001169525426 1079323184 /nfs/dbraw/zinc/32/31/84/1079323184.db2.gz YPWSXWOLHLCPID-QFBILLFUSA-N 1 2 403.504 2.356 20 0 HEADLO COC(=O)c1coc(=O)c(N[C@@H]2C[C@H](C(=O)OCc3ccccc3)CCC[NH2+]2)c1 ZINC001169516753 1079327911 /nfs/dbraw/zinc/32/79/11/1079327911.db2.gz DYMYSEUBHRXRCC-CRAIPNDOSA-N 1 2 400.431 2.298 20 0 HEADLO Cn1cc([C@@H](O)C[C@H]2CCCN2C(=O)NCc2ccccc2Cn2cc[nH+]c2)cn1 ZINC000766754083 1079332026 /nfs/dbraw/zinc/33/20/26/1079332026.db2.gz NSKQSDFDVYPNNC-RTWAWAEBSA-N 1 2 408.506 2.463 20 0 HEADLO CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H]2CCc3c[nH+]cn3C2)c1 ZINC000804332601 1079349372 /nfs/dbraw/zinc/34/93/72/1079349372.db2.gz NJZQOZXIEMTJLT-CYBMUJFWSA-N 1 2 410.927 2.312 20 0 HEADLO CN(C[C@H](O)CN(C)C(=O)OC(C)(C)C)C(=O)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001169665874 1079361248 /nfs/dbraw/zinc/36/12/48/1079361248.db2.gz JGKRHYOTRHAAGU-SFHVURJKSA-N 1 2 402.495 2.101 20 0 HEADLO CCOC(=O)C1=C(C[N@H+]2CC=C(c3ccc4c(c3)OCCO4)CC2)NC(=O)N[C@H]1C ZINC000771465854 1079362181 /nfs/dbraw/zinc/36/21/81/1079362181.db2.gz WJENTFSVKMPCRC-AWEZNQCLSA-N 1 2 413.474 2.065 20 0 HEADLO CCOC(=O)C1=C(C[N@@H+]2CC=C(c3ccc4c(c3)OCCO4)CC2)NC(=O)N[C@H]1C ZINC000771465854 1079362187 /nfs/dbraw/zinc/36/21/87/1079362187.db2.gz WJENTFSVKMPCRC-AWEZNQCLSA-N 1 2 413.474 2.065 20 0 HEADLO CC(C)(C)OC(=O)N1CC[C@H]([C@H](F)C(=O)N2CC[NH+](CCc3ccncc3)CC2)C1 ZINC001169679236 1079365437 /nfs/dbraw/zinc/36/54/37/1079365437.db2.gz PSFWQGJPUMKTRA-OALUTQOASA-N 1 2 420.529 2.363 20 0 HEADLO O=C(N[C@@H]1CCc2c[nH+]cn2C1)/C(=C/c1ccco1)n1nnnc1-c1ccccc1 ZINC000804335239 1079369716 /nfs/dbraw/zinc/36/97/16/1079369716.db2.gz VRXIAFFLPOQUOU-VXIUPONVSA-N 1 2 401.430 2.259 20 0 HEADLO O=C(N[C@H]1CCc2c[nH+]cn2C1)/C(=C\c1ccco1)n1nnnc1-c1ccccc1 ZINC000804335242 1079369754 /nfs/dbraw/zinc/36/97/54/1079369754.db2.gz VRXIAFFLPOQUOU-ZVCOJXFSSA-N 1 2 401.430 2.259 20 0 HEADLO CC(C)(C)OC(=O)N1CCC[C@H](n2cc(C(=O)N[C@H]3CCc4c[nH+]cn4C3)cn2)C1 ZINC000804334411 1079376574 /nfs/dbraw/zinc/37/65/74/1079376574.db2.gz GAOKPILDOKCSOY-WMZOPIPTSA-N 1 2 414.510 2.396 20 0 HEADLO CCOC(=O)N1CCC[C@H]([N@@H+]2C[C@H](NC(=O)OC(C)(C)C)C[C@H]2C(=O)OC)CC1 ZINC001169703669 1079380598 /nfs/dbraw/zinc/38/05/98/1079380598.db2.gz ONHZHPBAMQOSIB-PMPSAXMXSA-N 1 2 413.515 2.138 20 0 HEADLO CCOC(=O)N1CCC[C@H]([N@H+]2C[C@H](NC(=O)OC(C)(C)C)C[C@H]2C(=O)OC)CC1 ZINC001169703669 1079380601 /nfs/dbraw/zinc/38/06/01/1079380601.db2.gz ONHZHPBAMQOSIB-PMPSAXMXSA-N 1 2 413.515 2.138 20 0 HEADLO CC(C)(C)OC(=O)N1CC[N@@H+]([C@H]2CCCN(C(=O)c3ccccc3)C2)[C@@H](CO)C1 ZINC001169761295 1079398872 /nfs/dbraw/zinc/39/88/72/1079398872.db2.gz BBRLFFIRZFNJOQ-RBUKOAKNSA-N 1 2 403.523 2.205 20 0 HEADLO CC(C)(C)OC(=O)N1CC[N@H+]([C@H]2CCCN(C(=O)c3ccccc3)C2)[C@@H](CO)C1 ZINC001169761295 1079398884 /nfs/dbraw/zinc/39/88/84/1079398884.db2.gz BBRLFFIRZFNJOQ-RBUKOAKNSA-N 1 2 403.523 2.205 20 0 HEADLO O=C(c1ccccc1)N1CCC[C@H]([N@H+]2Cc3nccn3C[C@H](CN3CCCC3=O)C2)C1 ZINC001169768671 1079401087 /nfs/dbraw/zinc/40/10/87/1079401087.db2.gz AATPJCLZZSCEAJ-CTNGQTDRSA-N 1 2 421.545 2.242 20 0 HEADLO O=C(c1ccccc1)N1CCC[C@H]([N@@H+]2Cc3nccn3C[C@H](CN3CCCC3=O)C2)C1 ZINC001169768671 1079401102 /nfs/dbraw/zinc/40/11/02/1079401102.db2.gz AATPJCLZZSCEAJ-CTNGQTDRSA-N 1 2 421.545 2.242 20 0 HEADLO CC[C@]1(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CCCN1C(=O)OC(C)(C)C ZINC000771653510 1079425261 /nfs/dbraw/zinc/42/52/61/1079425261.db2.gz OBJAMHVIUAEMJO-OAQYLSRUSA-N 1 2 421.542 2.334 20 0 HEADLO COC(=O)C(C)(C)[C@H]1CCC[N@H+](CN2C(=O)N[C@@]3(CC(C)(C)OC3(C)C)C2=O)C1 ZINC000771632078 1079440270 /nfs/dbraw/zinc/44/02/70/1079440270.db2.gz PIYKVBSAOOWIQG-QKKBWIMNSA-N 1 2 409.527 2.123 20 0 HEADLO COC(=O)C(C)(C)[C@H]1CCC[N@@H+](CN2C(=O)N[C@@]3(CC(C)(C)OC3(C)C)C2=O)C1 ZINC000771632078 1079440275 /nfs/dbraw/zinc/44/02/75/1079440275.db2.gz PIYKVBSAOOWIQG-QKKBWIMNSA-N 1 2 409.527 2.123 20 0 HEADLO CCOc1ccc(S(=O)(=O)NCCC(=O)OCc2cccc3[nH+]ccn32)cc1 ZINC000771635314 1079442260 /nfs/dbraw/zinc/44/22/60/1079442260.db2.gz BOTVYBAEZDAOGH-UHFFFAOYSA-N 1 2 403.460 2.145 20 0 HEADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)[C@@H]1CSCN1C(=O)OC(C)(C)C ZINC000771754550 1079484430 /nfs/dbraw/zinc/48/44/30/1079484430.db2.gz USLZFXCUSNYZCH-HNNXBMFYSA-N 1 2 408.524 2.475 20 0 HEADLO CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)NCc3n[nH]c(-c4ccccc4)n3)c2C1 ZINC000737268883 1075897556 /nfs/dbraw/zinc/89/75/56/1075897556.db2.gz ILYYMCIGQNTFGM-UHFFFAOYSA-N 1 2 404.474 2.452 20 0 HEADLO CCC[N@H+]1Cc2cccc(NC(=O)C(=O)NCc3n[nH]c(-c4ccccc4)n3)c2C1 ZINC000737268883 1075897558 /nfs/dbraw/zinc/89/75/58/1075897558.db2.gz ILYYMCIGQNTFGM-UHFFFAOYSA-N 1 2 404.474 2.452 20 0 HEADLO CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)NCc3nc(-c4ccccc4)n[nH]3)c2C1 ZINC000737268883 1075897561 /nfs/dbraw/zinc/89/75/61/1075897561.db2.gz ILYYMCIGQNTFGM-UHFFFAOYSA-N 1 2 404.474 2.452 20 0 HEADLO CCC[N@H+]1Cc2cccc(NC(=O)C(=O)NCc3nc(-c4ccccc4)n[nH]3)c2C1 ZINC000737268883 1075897562 /nfs/dbraw/zinc/89/75/62/1075897562.db2.gz ILYYMCIGQNTFGM-UHFFFAOYSA-N 1 2 404.474 2.452 20 0 HEADLO CCCCNC(=O)[C@@H]1CCC[N@H+](CC(=O)[C@H](C#N)c2nc3ccccc3c(=O)[nH]2)C1 ZINC000065253694 1075909510 /nfs/dbraw/zinc/90/95/10/1075909510.db2.gz HNLZAPGFASIYQT-WBVHZDCISA-N 1 2 409.490 2.140 20 0 HEADLO CCCCNC(=O)[C@@H]1CCC[N@@H+](CC(=O)[C@H](C#N)c2nc3ccccc3c(=O)[nH]2)C1 ZINC000065253694 1075909524 /nfs/dbraw/zinc/90/95/24/1075909524.db2.gz HNLZAPGFASIYQT-WBVHZDCISA-N 1 2 409.490 2.140 20 0 HEADLO C[C@H](NC(=S)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1)c1ccccc1 ZINC000737465996 1075909809 /nfs/dbraw/zinc/90/98/09/1075909809.db2.gz ZLWFTXBPRPIASF-KRWDZBQOSA-N 1 2 412.563 2.071 20 0 HEADLO C[C@H](NC(=S)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1)c1ccccc1 ZINC000737465996 1075909816 /nfs/dbraw/zinc/90/98/16/1075909816.db2.gz ZLWFTXBPRPIASF-KRWDZBQOSA-N 1 2 412.563 2.071 20 0 HEADLO CCc1ccc(C[NH+]2CCN(C(=O)Cc3csc(-c4nc[nH]n4)n3)CC2)s1 ZINC000737934934 1075939824 /nfs/dbraw/zinc/93/98/24/1075939824.db2.gz PZHQLUCPKCFVDQ-UHFFFAOYSA-N 1 2 402.549 2.439 20 0 HEADLO CC[C@@]1(C(C)C)NC(=O)N(C[NH+]2CCC(C(=O)Nc3ccc(C)cn3)CC2)C1=O ZINC000738028429 1075953810 /nfs/dbraw/zinc/95/38/10/1075953810.db2.gz HNZMZFWQPQCBSD-NRFANRHFSA-N 1 2 401.511 2.355 20 0 HEADLO CC[C@@]1(C(C)C)NC(=O)N(C[NH+]2CCC(C(=O)NCc3ccc(F)cc3)CC2)C1=O ZINC000738028138 1075954257 /nfs/dbraw/zinc/95/42/57/1075954257.db2.gz VOYFHRKLAFGTQG-QFIPXVFZSA-N 1 2 418.513 2.468 20 0 HEADLO C[N@H+](C[C@@H]1CCCO1)CN1C(=O)N[C@](C)(c2ccc(Br)s2)C1=O ZINC000738060666 1075961740 /nfs/dbraw/zinc/96/17/40/1075961740.db2.gz HYGFKVINOICOSH-ZUZCIYMTSA-N 1 2 402.314 2.346 20 0 HEADLO C[N@@H+](C[C@@H]1CCCO1)CN1C(=O)N[C@](C)(c2ccc(Br)s2)C1=O ZINC000738060666 1075961743 /nfs/dbraw/zinc/96/17/43/1075961743.db2.gz HYGFKVINOICOSH-ZUZCIYMTSA-N 1 2 402.314 2.346 20 0 HEADLO COC(=O)[C@H]1CCC[N@H+](CN2C(=O)C[C@@](C)(c3ccc(Br)cc3)C2=O)C1 ZINC000738058043 1075961936 /nfs/dbraw/zinc/96/19/36/1075961936.db2.gz VFCRBNZQTPUPJI-DJJJIMSYSA-N 1 2 423.307 2.308 20 0 HEADLO COC(=O)[C@H]1CCC[N@@H+](CN2C(=O)C[C@@](C)(c3ccc(Br)cc3)C2=O)C1 ZINC000738058043 1075961940 /nfs/dbraw/zinc/96/19/40/1075961940.db2.gz VFCRBNZQTPUPJI-DJJJIMSYSA-N 1 2 423.307 2.308 20 0 HEADLO CC(=O)N1CCCCC[C@@H]1C1CC[NH+](CN2C(=O)C(=O)N(C3CCCC3)C2=O)CC1 ZINC000738224240 1075975607 /nfs/dbraw/zinc/97/56/07/1075975607.db2.gz ZHQCSPYVQZOUHV-LJQANCHMSA-N 1 2 418.538 2.180 20 0 HEADLO CCNS(=O)(=O)c1ccc(C)c(C(=O)N2CC[NH2+][C@@H](c3cccc(OC)c3)C2)c1 ZINC001169964040 1079498612 /nfs/dbraw/zinc/49/86/12/1079498612.db2.gz UIDKXYNXCBAHGX-HXUWFJFHSA-N 1 2 417.531 2.089 20 0 HEADLO C[C@@](O)(CNC(=O)NCc1ccccc1OCC[NH+]1CCOCC1)c1cccs1 ZINC000740040167 1076098455 /nfs/dbraw/zinc/09/84/55/1076098455.db2.gz YMEBULWJBBQLEE-OAQYLSRUSA-N 1 2 419.547 2.166 20 0 HEADLO O=C(CCCc1nc(C2CC2)no1)OCC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000740303321 1076140756 /nfs/dbraw/zinc/14/07/56/1076140756.db2.gz WKFDVCGWQUCSCC-UHFFFAOYSA-N 1 2 418.519 2.219 20 0 HEADLO CCOC(=O)C1C(C[NH2+][C@@]2(CO)CCc3ccccc32)=NC(=O)N[C@H]1c1ccccc1 ZINC000766249143 1076149089 /nfs/dbraw/zinc/14/90/89/1076149089.db2.gz HQIJFZAGAGNSMN-XUZZJYLKSA-N 1 2 421.497 2.281 20 0 HEADLO C[C@](O)(CNC(=O)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1)c1cccs1 ZINC000740478075 1076185649 /nfs/dbraw/zinc/18/56/49/1076185649.db2.gz BFRNLYVDWXRJHB-RXVVDRJESA-N 1 2 403.548 2.198 20 0 HEADLO C[C@@H]1C[N@H+](C[C@@H](O)c2ccc(S(C)(=O)=O)cc2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000740882668 1076281081 /nfs/dbraw/zinc/28/10/81/1076281081.db2.gz FVSUKXKOBYWIJU-ZTFGCOKTSA-N 1 2 412.552 2.359 20 0 HEADLO C[C@@H]1C[N@@H+](C[C@@H](O)c2ccc(S(C)(=O)=O)cc2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000740882668 1076281084 /nfs/dbraw/zinc/28/10/84/1076281084.db2.gz FVSUKXKOBYWIJU-ZTFGCOKTSA-N 1 2 412.552 2.359 20 0 HEADLO O=C1OCCN1c1ccc(S(=O)(=O)N2CC[NH+](CCc3cccs3)CC2)cc1 ZINC000740891579 1076291754 /nfs/dbraw/zinc/29/17/54/1076291754.db2.gz QQBWYBXBUUZUCE-UHFFFAOYSA-N 1 2 421.544 2.254 20 0 HEADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)N[C@H]2C[C@H]2c2c(F)cccc2Cl)CC1 ZINC000740916034 1076304186 /nfs/dbraw/zinc/30/41/86/1076304186.db2.gz WKWASZWQGUCXHU-CJNGLKHVSA-N 1 2 417.934 2.143 20 0 HEADLO Cc1noc2ncc(C(=O)OCC(=O)N3CC[NH+](Cc4ccsc4)CC3)cc12 ZINC000740950201 1076311473 /nfs/dbraw/zinc/31/14/73/1076311473.db2.gz ZYINDEXZWSVUAH-UHFFFAOYSA-N 1 2 400.460 2.094 20 0 HEADLO CON(C)C(=O)[C@H](CCSC)NC(=O)CSCc1cn2cc(C)ccc2[nH+]1 ZINC000766263484 1076345013 /nfs/dbraw/zinc/34/50/13/1076345013.db2.gz VEZZKDLYYAYJBC-HNNXBMFYSA-N 1 2 410.565 2.134 20 0 HEADLO CC[N@H+](C)[C@H](C(=O)OCC(=O)Nc1ccc(S(C)(=O)=O)cc1)c1ccccc1 ZINC000741150268 1076393044 /nfs/dbraw/zinc/39/30/44/1076393044.db2.gz BXCHLRIZSZLYAK-IBGZPJMESA-N 1 2 404.488 2.265 20 0 HEADLO CC[N@@H+](C)[C@H](C(=O)OCC(=O)Nc1ccc(S(C)(=O)=O)cc1)c1ccccc1 ZINC000741150268 1076393046 /nfs/dbraw/zinc/39/30/46/1076393046.db2.gz BXCHLRIZSZLYAK-IBGZPJMESA-N 1 2 404.488 2.265 20 0 HEADLO COc1ccc(NC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)c(C(=O)NC2CC2)c1 ZINC000741188248 1076401094 /nfs/dbraw/zinc/40/10/94/1076401094.db2.gz KSFMCTMKALFARD-OAQYLSRUSA-N 1 2 409.486 2.427 20 0 HEADLO COc1ccc(NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c(C(=O)NC2CC2)c1 ZINC000741188248 1076401102 /nfs/dbraw/zinc/40/11/02/1076401102.db2.gz KSFMCTMKALFARD-OAQYLSRUSA-N 1 2 409.486 2.427 20 0 HEADLO O=C(C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)OCc1nnnn1Cc1ccccc1 ZINC000741358701 1076484365 /nfs/dbraw/zinc/48/43/65/1076484365.db2.gz YCSPMFHNEVUABA-HXUWFJFHSA-N 1 2 407.474 2.056 20 0 HEADLO O=C(C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)OCc1nnnn1Cc1ccccc1 ZINC000741358701 1076484367 /nfs/dbraw/zinc/48/43/67/1076484367.db2.gz YCSPMFHNEVUABA-HXUWFJFHSA-N 1 2 407.474 2.056 20 0 HEADLO O=C(C[C@H]1C[N@H+](Cc2ccccc2)CCO1)OCCn1cnc2ccccc2c1=O ZINC000741350427 1076492086 /nfs/dbraw/zinc/49/20/86/1076492086.db2.gz CTNNEGUIGKMOQJ-IBGZPJMESA-N 1 2 407.470 2.231 20 0 HEADLO O=C(C[C@H]1C[N@@H+](Cc2ccccc2)CCO1)OCCn1cnc2ccccc2c1=O ZINC000741350427 1076492088 /nfs/dbraw/zinc/49/20/88/1076492088.db2.gz CTNNEGUIGKMOQJ-IBGZPJMESA-N 1 2 407.470 2.231 20 0 HEADLO O=C(C[C@H]1C[N@H+](Cc2ccccc2)CCO1)OCC(=O)N1CCc2ccccc2C1 ZINC000741350341 1076492114 /nfs/dbraw/zinc/49/21/14/1076492114.db2.gz CPAMJGVDRXUIPH-QFIPXVFZSA-N 1 2 408.498 2.406 20 0 HEADLO O=C(C[C@H]1C[N@@H+](Cc2ccccc2)CCO1)OCC(=O)N1CCc2ccccc2C1 ZINC000741350341 1076492118 /nfs/dbraw/zinc/49/21/18/1076492118.db2.gz CPAMJGVDRXUIPH-QFIPXVFZSA-N 1 2 408.498 2.406 20 0 HEADLO COc1ccccc1CNC(=O)COC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000741352508 1076492567 /nfs/dbraw/zinc/49/25/67/1076492567.db2.gz HTTGSYWFFPLPCY-HXUWFJFHSA-N 1 2 412.486 2.146 20 0 HEADLO COc1ccccc1CNC(=O)COC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000741352508 1076492569 /nfs/dbraw/zinc/49/25/69/1076492569.db2.gz HTTGSYWFFPLPCY-HXUWFJFHSA-N 1 2 412.486 2.146 20 0 HEADLO C[C@@H](OC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1)C(=O)N1CCc2sccc2C1 ZINC000741387704 1076496041 /nfs/dbraw/zinc/49/60/41/1076496041.db2.gz OXRBINZPRSYLMY-VQIMIIECSA-N 1 2 414.527 2.466 20 0 HEADLO C[C@@H](OC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1)C(=O)N1CCc2sccc2C1 ZINC000741387704 1076496044 /nfs/dbraw/zinc/49/60/44/1076496044.db2.gz OXRBINZPRSYLMY-VQIMIIECSA-N 1 2 414.527 2.466 20 0 HEADLO O=C(COC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1)N[C@@H]1CCOc2ccccc21 ZINC000741376770 1076503736 /nfs/dbraw/zinc/50/37/36/1076503736.db2.gz FLWYTJPNPRPYPZ-CTNGQTDRSA-N 1 2 410.470 2.071 20 0 HEADLO O=C(COC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N[C@@H]1CCOc2ccccc21 ZINC000741376770 1076503737 /nfs/dbraw/zinc/50/37/37/1076503737.db2.gz FLWYTJPNPRPYPZ-CTNGQTDRSA-N 1 2 410.470 2.071 20 0 HEADLO CCOc1cccc(CNC(=O)COC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c1 ZINC000741381161 1076505144 /nfs/dbraw/zinc/50/51/44/1076505144.db2.gz YQIASLNGDXJIAA-NRFANRHFSA-N 1 2 412.486 2.146 20 0 HEADLO CCOc1cccc(CNC(=O)COC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c1 ZINC000741381161 1076505151 /nfs/dbraw/zinc/50/51/51/1076505151.db2.gz YQIASLNGDXJIAA-NRFANRHFSA-N 1 2 412.486 2.146 20 0 HEADLO Cc1ccccc1C[C@@H](C)NC(=O)COC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000741380536 1076505503 /nfs/dbraw/zinc/50/55/03/1076505503.db2.gz CGDFXHKHIPEWPV-DENIHFKCSA-N 1 2 410.514 2.486 20 0 HEADLO Cc1ccccc1C[C@@H](C)NC(=O)COC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000741380536 1076505507 /nfs/dbraw/zinc/50/55/07/1076505507.db2.gz CGDFXHKHIPEWPV-DENIHFKCSA-N 1 2 410.514 2.486 20 0 HEADLO O=C(COC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1)NCCc1ccc(Cl)cc1 ZINC000741383380 1076507950 /nfs/dbraw/zinc/50/79/50/1076507950.db2.gz MJXOGRSIHYGLDV-HXUWFJFHSA-N 1 2 416.905 2.443 20 0 HEADLO O=C(COC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1)NCCc1ccc(Cl)cc1 ZINC000741383380 1076507957 /nfs/dbraw/zinc/50/79/57/1076507957.db2.gz MJXOGRSIHYGLDV-HXUWFJFHSA-N 1 2 416.905 2.443 20 0 HEADLO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)NCC[S@](=O)Cc2ccccc2)C[C@H](C)O1 ZINC000741418466 1076517520 /nfs/dbraw/zinc/51/75/20/1076517520.db2.gz GBSBMHKLJINRSF-VALQEZNKSA-N 1 2 407.580 2.219 20 0 HEADLO C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)NCC[S@](=O)Cc2ccccc2)C[C@H](C)O1 ZINC000741418466 1076517527 /nfs/dbraw/zinc/51/75/27/1076517527.db2.gz GBSBMHKLJINRSF-VALQEZNKSA-N 1 2 407.580 2.219 20 0 HEADLO O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)c1cc(N2CCOC2=O)ccc1F ZINC000741519789 1076541472 /nfs/dbraw/zinc/54/14/72/1076541472.db2.gz UJCGTADZTGPQGG-GOSISDBHSA-N 1 2 413.449 2.413 20 0 HEADLO O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)c1cc(N2CCOC2=O)ccc1F ZINC000741519789 1076541481 /nfs/dbraw/zinc/54/14/81/1076541481.db2.gz UJCGTADZTGPQGG-GOSISDBHSA-N 1 2 413.449 2.413 20 0 HEADLO COCCCn1c(=O)c2ccc(C(=O)N(C)[C@@H]3CC[N@H+](C)[C@@H](C)C3)cc2[nH]c1=S ZINC000741706911 1076600164 /nfs/dbraw/zinc/60/01/64/1076600164.db2.gz CGSHRBLMAPAQJG-GOEBONIOSA-N 1 2 418.563 2.276 20 0 HEADLO COCCCn1c(=O)c2ccc(C(=O)N(C)[C@@H]3CC[N@@H+](C)[C@@H](C)C3)cc2[nH]c1=S ZINC000741706911 1076600169 /nfs/dbraw/zinc/60/01/69/1076600169.db2.gz CGSHRBLMAPAQJG-GOEBONIOSA-N 1 2 418.563 2.276 20 0 HEADLO CC(C)S(=O)(=O)c1ccc(F)c(C(=O)Nc2cc(C(N)=O)ccc2C[NH+](C)C)c1 ZINC000741944000 1076689174 /nfs/dbraw/zinc/68/91/74/1076689174.db2.gz VSXVZDDLUMVSHU-UHFFFAOYSA-N 1 2 421.494 2.421 20 0 HEADLO CN(C)c1ccc([NH+]2CCC(NC(=O)CCc3nc(-c4ncccn4)no3)CC2)cc1 ZINC000741981899 1076702358 /nfs/dbraw/zinc/70/23/58/1076702358.db2.gz CIOANJIQFGEZEV-UHFFFAOYSA-N 1 2 421.505 2.310 20 0 HEADLO CN(C)c1ccc([NH+]2CCC(NC(=O)Cn3c4ccccc4n(C)c3=O)CC2)cc1 ZINC000741982326 1076702864 /nfs/dbraw/zinc/70/28/64/1076702864.db2.gz QILHCFIKJAHMAK-UHFFFAOYSA-N 1 2 407.518 2.191 20 0 HEADLO CCC(CC)[C@@H](C(=O)Nc1cccc(OCCS(C)(=O)=O)c1)[NH+]1CCOCC1 ZINC000742062305 1076731895 /nfs/dbraw/zinc/73/18/95/1076731895.db2.gz MOXXCHIVEAPZJY-IBGZPJMESA-N 1 2 412.552 2.186 20 0 HEADLO Cc1ccc(S(N)(=O)=O)cc1C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000742108840 1076744709 /nfs/dbraw/zinc/74/47/09/1076744709.db2.gz FGLKFJUWZQULPO-UHFFFAOYSA-N 1 2 416.547 2.107 20 0 HEADLO C[C@H](Sc1nnnn1C1CC1)C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000742114766 1076746470 /nfs/dbraw/zinc/74/64/70/1076746470.db2.gz VXMINTBVZDEFQB-AWEZNQCLSA-N 1 2 415.567 2.340 20 0 HEADLO Cc1cc(NC(=O)[C@@H](C)SCC(=O)N2CCC([N@H+](C)CC(F)F)CC2)no1 ZINC000742237081 1076803340 /nfs/dbraw/zinc/80/33/40/1076803340.db2.gz FJHSHNPYQQCTNJ-GFCCVEGCSA-N 1 2 404.483 2.231 20 0 HEADLO Cc1cc(NC(=O)[C@@H](C)SCC(=O)N2CCC([N@@H+](C)CC(F)F)CC2)no1 ZINC000742237081 1076803341 /nfs/dbraw/zinc/80/33/41/1076803341.db2.gz FJHSHNPYQQCTNJ-GFCCVEGCSA-N 1 2 404.483 2.231 20 0 HEADLO O=C1C[C@@H]([N@@H+]2CCc3c(cccc3N3CCOC3=O)C2)C(=O)N1Cc1ccccc1 ZINC000742264618 1076811055 /nfs/dbraw/zinc/81/10/55/1076811055.db2.gz DVQAXVSZSKTMAC-HXUWFJFHSA-N 1 2 405.454 2.329 20 0 HEADLO O=C1C[C@@H]([N@H+]2CCc3c(cccc3N3CCOC3=O)C2)C(=O)N1Cc1ccccc1 ZINC000742264618 1076811056 /nfs/dbraw/zinc/81/10/56/1076811056.db2.gz DVQAXVSZSKTMAC-HXUWFJFHSA-N 1 2 405.454 2.329 20 0 HEADLO Cc1cc(C)n(Cc2cccc(C(N)=[NH+]O[C@@H]3CCCN(c4ccn(C)n4)C3=O)c2)n1 ZINC000742356601 1076830101 /nfs/dbraw/zinc/83/01/01/1076830101.db2.gz GESJZBOWEHJUMG-LJQANCHMSA-N 1 2 421.505 2.324 20 0 HEADLO COc1ccc(CC(N)=[NH+]OCC(=O)NCCc2c(F)cccc2F)cc1OC ZINC000742356383 1076830113 /nfs/dbraw/zinc/83/01/13/1076830113.db2.gz AMHWNTGCYPOSFR-UHFFFAOYSA-N 1 2 407.417 2.382 20 0 HEADLO CCOC(=O)N1CCC(S(=O)(=O)N[C@@H](Cc2[nH+]ccn2C)c2ccccc2)CC1 ZINC000742342182 1076830983 /nfs/dbraw/zinc/83/09/83/1076830983.db2.gz ZBKPFXSWNGDWMV-SFHVURJKSA-N 1 2 420.535 2.244 20 0 HEADLO N=C1NC(=O)[C@H](CC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)S1 ZINC000742464658 1076841946 /nfs/dbraw/zinc/84/19/46/1076841946.db2.gz MBNMSGJXSPJTNX-SFHVURJKSA-N 1 2 408.527 2.477 20 0 HEADLO N=C1NC(=O)C(CC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)S1 ZINC000742464658 1076841951 /nfs/dbraw/zinc/84/19/51/1076841951.db2.gz MBNMSGJXSPJTNX-SFHVURJKSA-N 1 2 408.527 2.477 20 0 HEADLO C[NH+](C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)C[C@@H]1SC(=N)NC1=O ZINC000742593081 1076854028 /nfs/dbraw/zinc/85/40/28/1076854028.db2.gz JBWGNWNGLNJBRB-ZDUSSCGKSA-N 1 2 402.442 2.152 20 0 HEADLO O=C(/C=C/c1ccccc1)N1CCC(C(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)CC1 ZINC000742763118 1076874916 /nfs/dbraw/zinc/87/49/16/1076874916.db2.gz SUVJRHRDRCCZLD-HYGBKTPJSA-N 1 2 411.546 2.262 20 0 HEADLO Cn1cc[nH+]c1C[C@@H](NC(=O)C[C@@](O)(c1nccn1C)C(F)(F)F)c1ccccc1 ZINC000742858761 1076889586 /nfs/dbraw/zinc/88/95/86/1076889586.db2.gz NSKVMBDGADMHNW-DNVCBOLYSA-N 1 2 421.423 2.394 20 0 HEADLO Cn1cc[nH+]c1C[C@H](NC(=O)C[C@@](O)(c1nccn1C)C(F)(F)F)c1ccccc1 ZINC000742858762 1076889601 /nfs/dbraw/zinc/88/96/01/1076889601.db2.gz NSKVMBDGADMHNW-HNAYVOBHSA-N 1 2 421.423 2.394 20 0 HEADLO COCC[S@@](=O)Cc1cccc(NC(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)c1 ZINC000743159306 1076979194 /nfs/dbraw/zinc/97/91/94/1076979194.db2.gz XJBOGWVRHSCJEG-ACSYHNTCSA-N 1 2 423.579 2.300 20 0 HEADLO CC[C@]1(c2ccccc2)NC(=O)N(C[NH+]2CCC(c3nnc4n3CCC4)CC2)C1=O ZINC000743353922 1077030909 /nfs/dbraw/zinc/03/09/09/1077030909.db2.gz HCZNWMAPVLXHJH-JOCHJYFZSA-N 1 2 408.506 2.219 20 0 HEADLO Nn1c(SCC(=O)Nc2nc(C[NH+]3CCCC3)cs2)nnc1[C@@H]1CCCCO1 ZINC000743459160 1077053739 /nfs/dbraw/zinc/05/37/39/1077053739.db2.gz ZJJZFDKLPZYACH-ZDUSSCGKSA-N 1 2 423.568 2.017 20 0 HEADLO Cn1cc([C@@H](O)CNC(=O)N[C@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)cn1 ZINC000743604171 1077074442 /nfs/dbraw/zinc/07/44/42/1077074442.db2.gz MHVOSTPHTFFTGE-WMZOPIPTSA-N 1 2 409.893 2.210 20 0 HEADLO Cn1cc([C@@H](O)CNC(=O)N[C@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)cn1 ZINC000743604171 1077074451 /nfs/dbraw/zinc/07/44/51/1077074451.db2.gz MHVOSTPHTFFTGE-WMZOPIPTSA-N 1 2 409.893 2.210 20 0 HEADLO CCO[C@@H](C)c1noc(CN2CC[NH+](C[C@H](O)c3cc(OC)ccc3OC)CC2)n1 ZINC000743859148 1077145645 /nfs/dbraw/zinc/14/56/45/1077145645.db2.gz VWNWRSFURZJVCM-YJBOKZPZSA-N 1 2 420.510 2.036 20 0 HEADLO Cc1c(NC(=O)C(=O)N[C@@H](Cn2cc[nH+]c2)C(C)(C)C)cccc1N1CCOC1=O ZINC000743887102 1077179763 /nfs/dbraw/zinc/17/97/63/1077179763.db2.gz IXBDGTCYANPSPS-KRWDZBQOSA-N 1 2 413.478 2.318 20 0 HEADLO Cc1c(NC(=O)C(=O)N[C@H](Cn2cc[nH+]c2)C(C)(C)C)cccc1N1CCOC1=O ZINC000743887104 1077180044 /nfs/dbraw/zinc/18/00/44/1077180044.db2.gz IXBDGTCYANPSPS-QGZVFWFLSA-N 1 2 413.478 2.318 20 0 HEADLO Cc1c(NC(=O)C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cccc1N1CCOC1=O ZINC000743899503 1077211812 /nfs/dbraw/zinc/21/18/12/1077211812.db2.gz VPVLYJXLVGCNJR-UHFFFAOYSA-N 1 2 419.441 2.392 20 0 HEADLO CN(C)C(=O)c1ccccc1NC(=O)C(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000743985625 1077296578 /nfs/dbraw/zinc/29/65/78/1077296578.db2.gz KBLHSEXUVBWQDF-IBGZPJMESA-N 1 2 419.485 2.161 20 0 HEADLO C[C@@]1(c2ccccc2F)NC(=O)N(C[NH+]2CCC(NC(=O)c3ccccc3)CC2)C1=O ZINC000744130709 1077326233 /nfs/dbraw/zinc/32/62/33/1077326233.db2.gz PYZHWNUTPVFWHN-QHCPKHFHSA-N 1 2 424.476 2.445 20 0 HEADLO CCCCOC(=O)c1ccc(NC(=O)C[N@@H+]2CCC[C@H](N3CCNC3=O)C2)cc1 ZINC000744201248 1077339132 /nfs/dbraw/zinc/33/91/32/1077339132.db2.gz XPWQRYZQHWXKLL-SFHVURJKSA-N 1 2 402.495 2.072 20 0 HEADLO CCCCOC(=O)c1ccc(NC(=O)C[N@H+]2CCC[C@H](N3CCNC3=O)C2)cc1 ZINC000744201248 1077339138 /nfs/dbraw/zinc/33/91/38/1077339138.db2.gz XPWQRYZQHWXKLL-SFHVURJKSA-N 1 2 402.495 2.072 20 0 HEADLO C[C@@H](C(=O)Nc1sccc1C(N)=O)[NH+]1CCC(NC(=O)C2CCCCC2)CC1 ZINC000744220150 1077343735 /nfs/dbraw/zinc/34/37/35/1077343735.db2.gz VLUKRNGBCUFZRI-ZDUSSCGKSA-N 1 2 406.552 2.335 20 0 HEADLO CCCCCCN(CC[NH+]1CCOCC1)C(=O)c1cnc2ccc(C)cn2c1=O ZINC000744350075 1077370981 /nfs/dbraw/zinc/37/09/81/1077370981.db2.gz RMODMWZWZLKIDN-UHFFFAOYSA-N 1 2 400.523 2.358 20 0 HEADLO CCc1nsc(N2CCC[N@@H+]([C@H](C)C(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)CC2)n1 ZINC000744425840 1077388241 /nfs/dbraw/zinc/38/82/41/1077388241.db2.gz BHKIPVFRFMGCEJ-GFCCVEGCSA-N 1 2 415.523 2.222 20 0 HEADLO CCc1nsc(N2CCC[N@H+]([C@H](C)C(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)CC2)n1 ZINC000744425840 1077388250 /nfs/dbraw/zinc/38/82/50/1077388250.db2.gz BHKIPVFRFMGCEJ-GFCCVEGCSA-N 1 2 415.523 2.222 20 0 HEADLO C[N@H+](Cn1cc(I)cn1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000744438595 1077394900 /nfs/dbraw/zinc/39/49/00/1077394900.db2.gz MLHUPZIOLUDABT-GFCCVEGCSA-N 1 2 406.268 2.386 20 0 HEADLO C[N@@H+](Cn1cc(I)cn1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000744438595 1077394908 /nfs/dbraw/zinc/39/49/08/1077394908.db2.gz MLHUPZIOLUDABT-GFCCVEGCSA-N 1 2 406.268 2.386 20 0 HEADLO CCN(CC)C(=O)c1ccccc1NC(=O)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000744925721 1077654159 /nfs/dbraw/zinc/65/41/59/1077654159.db2.gz RBJGXBVCIHGSKZ-UHFFFAOYSA-N 1 2 408.502 2.239 20 0 HEADLO CC[N@@H+]1CCCC[C@H]1C(=O)O[C@@H](C)C(=O)Nc1cc(C(=O)OC)ccc1C(=O)OC ZINC000745088800 1077724939 /nfs/dbraw/zinc/72/49/39/1077724939.db2.gz OYICHFIEMVKZAL-GUYCJALGSA-N 1 2 420.462 2.004 20 0 HEADLO CC[N@H+]1CCCC[C@H]1C(=O)O[C@@H](C)C(=O)Nc1cc(C(=O)OC)ccc1C(=O)OC ZINC000745088800 1077724942 /nfs/dbraw/zinc/72/49/42/1077724942.db2.gz OYICHFIEMVKZAL-GUYCJALGSA-N 1 2 420.462 2.004 20 0 HEADLO C[C@H](OC(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1)C(=O)Nc1ncnc2[nH]cnc21 ZINC000745103896 1077732063 /nfs/dbraw/zinc/73/20/63/1077732063.db2.gz IINSOXIEIOKGJQ-GOEBONIOSA-N 1 2 408.462 2.278 20 0 HEADLO C[C@H](OC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1)C(=O)Nc1ncnc2[nH]cnc21 ZINC000745103896 1077732081 /nfs/dbraw/zinc/73/20/81/1077732081.db2.gz IINSOXIEIOKGJQ-GOEBONIOSA-N 1 2 408.462 2.278 20 0 HEADLO O=C(COC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1)Nc1ccnn1C1CCCC1 ZINC000745110942 1077745192 /nfs/dbraw/zinc/74/51/92/1077745192.db2.gz MDBORRYNRTYMGL-IBGZPJMESA-N 1 2 412.490 2.381 20 0 HEADLO O=C(COC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)Nc1ccnn1C1CCCC1 ZINC000745110942 1077745200 /nfs/dbraw/zinc/74/52/00/1077745200.db2.gz MDBORRYNRTYMGL-IBGZPJMESA-N 1 2 412.490 2.381 20 0 HEADLO CCCCCC[C@H](C)C(=O)OCC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000745256382 1077783193 /nfs/dbraw/zinc/78/31/93/1077783193.db2.gz YFPHJOVKFPUNCW-INIZCTEOSA-N 1 2 416.526 2.162 20 0 HEADLO COC(=O)c1cccc([C@H](C(=O)OC)[N@@H+]2CCC[C@H]2C[C@@H](O)c2cnn(C)c2)c1 ZINC000766957881 1079521513 /nfs/dbraw/zinc/52/15/13/1079521513.db2.gz NBOCYJPWQKGOAV-IPMKNSEASA-N 1 2 401.463 2.009 20 0 HEADLO COC(=O)c1cccc([C@H](C(=O)OC)[N@H+]2CCC[C@H]2C[C@@H](O)c2cnn(C)c2)c1 ZINC000766957881 1079521522 /nfs/dbraw/zinc/52/15/22/1079521522.db2.gz NBOCYJPWQKGOAV-IPMKNSEASA-N 1 2 401.463 2.009 20 0 HEADLO CC(C)(C)OC(=O)N1CC[C@@H]([N@H+](CN2C(=O)C[C@]3(CCSC3)C2=O)C2CC2)C1 ZINC000771867000 1079557652 /nfs/dbraw/zinc/55/76/52/1079557652.db2.gz UOJLCXCRZVIXDH-QRWLVFNGSA-N 1 2 409.552 2.300 20 0 HEADLO CC(C)(C)OC(=O)N1CC[C@@H]([N@@H+](CN2C(=O)C[C@]3(CCSC3)C2=O)C2CC2)C1 ZINC000771867000 1079557656 /nfs/dbraw/zinc/55/76/56/1079557656.db2.gz UOJLCXCRZVIXDH-QRWLVFNGSA-N 1 2 409.552 2.300 20 0 HEADLO C[C@H](C(=O)Nc1ccc(N2CCOCC2)cc1)[NH+]1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000767019148 1079592993 /nfs/dbraw/zinc/59/29/93/1079592993.db2.gz GBPYINKRJAXBDJ-RDTXWAMCSA-N 1 2 415.456 2.485 20 0 HEADLO Cc1cccc(Cn2[nH]ccc2=NC(=O)CN2CCN(c3cc(C)cc[nH+]3)CC2)c1 ZINC000767069165 1079640906 /nfs/dbraw/zinc/64/09/06/1079640906.db2.gz SLXHNZONAVPKIL-UHFFFAOYSA-N 1 2 404.518 2.126 20 0 HEADLO COc1c(C)c[nH+]c(CNS(=O)(=O)CCNC(=O)OCc2ccccc2)c1C ZINC000767081257 1079652547 /nfs/dbraw/zinc/65/25/47/1079652547.db2.gz OOHFOUNYKRSURX-UHFFFAOYSA-N 1 2 407.492 2.053 20 0 HEADLO O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)C1=CN2CCS(=O)(=O)N=C2C=C1 ZINC000767088826 1079670567 /nfs/dbraw/zinc/67/05/67/1079670567.db2.gz RWBJNCAGSGXOCC-UHFFFAOYSA-N 1 2 423.498 2.323 20 0 HEADLO CN(Cc1cc(Br)cs1)C(=O)COC(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000767115279 1079681828 /nfs/dbraw/zinc/68/18/28/1079681828.db2.gz HFZPVSRYRYTTFZ-LBPRGKRZSA-N 1 2 421.382 2.450 20 0 HEADLO CN(Cc1cc(Br)cs1)C(=O)COC(=O)C[N@@H+](C)[C@H]1CCSC1 ZINC000767115279 1079681845 /nfs/dbraw/zinc/68/18/45/1079681845.db2.gz HFZPVSRYRYTTFZ-LBPRGKRZSA-N 1 2 421.382 2.450 20 0 HEADLO COc1ccc(OC)c([C@H](C)NC(=O)[C@H](C)OC(=O)C[N@H+](C)[C@H]2CCSC2)c1 ZINC000767116868 1079683357 /nfs/dbraw/zinc/68/33/57/1079683357.db2.gz NSTFYYMYOSVMQX-KKUMJFAQSA-N 1 2 410.536 2.250 20 0 HEADLO COc1ccc(OC)c([C@H](C)NC(=O)[C@H](C)OC(=O)C[N@@H+](C)[C@H]2CCSC2)c1 ZINC000767116868 1079683364 /nfs/dbraw/zinc/68/33/64/1079683364.db2.gz NSTFYYMYOSVMQX-KKUMJFAQSA-N 1 2 410.536 2.250 20 0 HEADLO O=C(NCCOc1ccc(S(=O)(=O)C(F)(F)F)cc1)c1cccc2[nH+]ccn21 ZINC000767132878 1079696801 /nfs/dbraw/zinc/69/68/01/1079696801.db2.gz XCDKORRZZUXZNP-UHFFFAOYSA-N 1 2 413.377 2.437 20 0 HEADLO O=C(C=C1CCSCC1)OCC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000772138287 1079724115 /nfs/dbraw/zinc/72/41/15/1079724115.db2.gz AAGSOBLCUFFKGX-UHFFFAOYSA-N 1 2 404.532 2.132 20 0 HEADLO COc1ccc(S(=O)(=O)N2CC(Nc3[nH+]cnc4c3cnn4C(C)(C)C)C2)cc1 ZINC000767292023 1079793140 /nfs/dbraw/zinc/79/31/40/1079793140.db2.gz PZDUNKMQGSOLNC-UHFFFAOYSA-N 1 2 416.507 2.075 20 0 HEADLO COc1ccc(C)cc1NC(=O)[C@H](C)[NH+]1CCC(Oc2ccnc(C(N)=O)c2)CC1 ZINC000772329583 1079823685 /nfs/dbraw/zinc/82/36/85/1079823685.db2.gz PABVSWNEELSULI-HNNXBMFYSA-N 1 2 412.490 2.368 20 0 HEADLO C[C@H](C(=O)Nc1ccc(Cl)cn1)[NH+]1CCC(Oc2ccnc(C(N)=O)c2)CC1 ZINC000772333010 1079826233 /nfs/dbraw/zinc/82/62/33/1079826233.db2.gz MTXADYRXVQFODV-GFCCVEGCSA-N 1 2 403.870 2.099 20 0 HEADLO O=C(OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)c1nn(Cc2ccccc2)c(=O)c2ccccc21 ZINC000767397313 1079846311 /nfs/dbraw/zinc/84/63/11/1079846311.db2.gz FULXMTOMYAORSL-KDURUIRLSA-N 1 2 419.481 2.465 20 0 HEADLO O=C(OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)c1nn(Cc2ccccc2)c(=O)c2ccccc21 ZINC000767397313 1079846317 /nfs/dbraw/zinc/84/63/17/1079846317.db2.gz FULXMTOMYAORSL-KDURUIRLSA-N 1 2 419.481 2.465 20 0 HEADLO CC(=O)c1ccc(S(=O)(=O)NCCCC(=O)OCc2cc[nH+]c(N(C)C)c2)cc1 ZINC000767451575 1079878586 /nfs/dbraw/zinc/87/85/86/1079878586.db2.gz SOQRTXLKNPRNSW-UHFFFAOYSA-N 1 2 419.503 2.152 20 0 HEADLO CO[C@@H](CNC(=O)OC(C)(C)C)CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000767459344 1079884622 /nfs/dbraw/zinc/88/46/22/1079884622.db2.gz ZXDXSOXEJXAWGQ-GOSISDBHSA-N 1 2 407.511 2.387 20 0 HEADLO Cc1cccc(NC(=O)[C@H](C)OC(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)c1 ZINC000767540528 1079946933 /nfs/dbraw/zinc/94/69/33/1079946933.db2.gz YHODITJFXBKBOB-SFHVURJKSA-N 1 2 424.501 2.389 20 0 HEADLO NC(=O)c1ccc(C[NH+]2CCN(C(=O)C[C@H](O)c3ccc(Cl)cc3)CC2)cc1 ZINC000772593052 1079953085 /nfs/dbraw/zinc/95/30/85/1079953085.db2.gz LBAVUTPOUXEVBH-IBGZPJMESA-N 1 2 401.894 2.207 20 0 HEADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)Nc2cnn(Cc3nnc4n3CCCC4)c2)C1 ZINC000772641461 1080009024 /nfs/dbraw/zinc/00/90/24/1080009024.db2.gz QBPOGRQZQHFOGJ-OAHLLOKOSA-N 1 2 409.498 2.004 20 0 HEADLO COc1cc(CNC(=O)C(=O)NCc2[nH+]cc(C)c(OC)c2C)ccc1OC(F)F ZINC000785506383 1080026766 /nfs/dbraw/zinc/02/67/66/1080026766.db2.gz RINPASHHBCOLKB-UHFFFAOYSA-N 1 2 423.416 2.250 20 0 HEADLO Cc1nn(C)c2sc(C(=O)N[C@H](C)C(=O)N[C@@H](Cn3cc[nH+]c3)C(C)(C)C)cc12 ZINC000742054511 1080034030 /nfs/dbraw/zinc/03/40/30/1080034030.db2.gz ALATVIDOQTTZRL-CJNGLKHVSA-N 1 2 416.551 2.489 20 0 HEADLO CO[C@H](CNC(=O)OC(C)(C)C)CC(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000767710728 1080045711 /nfs/dbraw/zinc/04/57/11/1080045711.db2.gz HREUKIDVLWOTPS-IBGZPJMESA-N 1 2 420.554 2.302 20 0 HEADLO C[C@@H]1C[N@@H+](C[C@H]2CCCN2S(=O)(=O)c2ccc(C3(C)OCCO3)cc2)C[C@H](C)O1 ZINC000767727482 1080055147 /nfs/dbraw/zinc/05/51/47/1080055147.db2.gz IJDWYNJMWBNHKN-ZIFCJYIRSA-N 1 2 424.563 2.168 20 0 HEADLO C[C@@H]1C[N@H+](C[C@H]2CCCN2S(=O)(=O)c2ccc(C3(C)OCCO3)cc2)C[C@H](C)O1 ZINC000767727482 1080055161 /nfs/dbraw/zinc/05/51/61/1080055161.db2.gz IJDWYNJMWBNHKN-ZIFCJYIRSA-N 1 2 424.563 2.168 20 0 HEADLO CS(=O)(=O)Nc1ccc(N2CC[NH+](C[C@H](O)c3c(F)cccc3F)CC2)cc1 ZINC000767746049 1080063918 /nfs/dbraw/zinc/06/39/18/1080063918.db2.gz VGGNCIGRDUUIHG-SFHVURJKSA-N 1 2 411.474 2.192 20 0 HEADLO CCc1nn(C)c(Cl)c1C(=O)N1CC[NH+](CCOc2cccc(OC)c2)CC1 ZINC000767732510 1080067945 /nfs/dbraw/zinc/06/79/45/1080067945.db2.gz SMUUABNFWZTASS-UHFFFAOYSA-N 1 2 406.914 2.481 20 0 HEADLO CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)NCC[N@@H+]2CCc3c(Cl)cccc3C2)C1 ZINC000785609107 1080077008 /nfs/dbraw/zinc/07/70/08/1080077008.db2.gz ZKFVXPZQFKRKLV-GOSISDBHSA-N 1 2 423.941 2.450 20 0 HEADLO CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)NCC[N@H+]2CCc3c(Cl)cccc3C2)C1 ZINC000785609107 1080077017 /nfs/dbraw/zinc/07/70/17/1080077017.db2.gz ZKFVXPZQFKRKLV-GOSISDBHSA-N 1 2 423.941 2.450 20 0 HEADLO C[N@@H+]1CCc2nc(NC(=O)CO[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)sc2C1 ZINC000767807830 1080112973 /nfs/dbraw/zinc/11/29/73/1080112973.db2.gz VDDKAMFCRFXFCH-CYBMUJFWSA-N 1 2 410.540 2.486 20 0 HEADLO C[N@H+]1CCc2nc(NC(=O)CO[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)sc2C1 ZINC000767807830 1080112977 /nfs/dbraw/zinc/11/29/77/1080112977.db2.gz VDDKAMFCRFXFCH-CYBMUJFWSA-N 1 2 410.540 2.486 20 0 HEADLO COc1ccc(C)cc1NC(=O)CNC(=O)C[NH+]1CCC(O)(c2ccccc2)CC1 ZINC000767855494 1080176249 /nfs/dbraw/zinc/17/62/49/1080176249.db2.gz OVSIRZAGLVSZQU-UHFFFAOYSA-N 1 2 411.502 2.042 20 0 HEADLO O=C(OCc1cccc(Cl)c1Cl)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000785660565 1080181964 /nfs/dbraw/zinc/18/19/64/1080181964.db2.gz KXNFNMCOFYRPQL-AWEZNQCLSA-N 1 2 401.290 2.217 20 0 HEADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)NCC(F)(F)CNC(=O)OC(C)(C)C)C1 ZINC000767861229 1080183349 /nfs/dbraw/zinc/18/33/49/1080183349.db2.gz ONQVKLIWSMEMJP-CYBMUJFWSA-N 1 2 401.458 2.469 20 0 HEADLO O=C(COC(=O)[C@H](O)Cc1ccccc1Cl)N1CC[NH+](Cc2cccs2)CC1 ZINC000785726075 1080202328 /nfs/dbraw/zinc/20/23/28/1080202328.db2.gz BXQLOKJPTSDCDG-GOSISDBHSA-N 1 2 422.934 2.193 20 0 HEADLO C[C@](O)(C[NH+]1CCC([C@](C)(O)C(F)(F)F)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000767919859 1080216153 /nfs/dbraw/zinc/21/61/53/1080216153.db2.gz VHBOPTFVHXGNAU-IRXDYDNUSA-N 1 2 409.470 2.323 20 0 HEADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)CN(C(=O)OC(C)(C)C)c2ccccc2)CC1 ZINC000767903182 1080221709 /nfs/dbraw/zinc/22/17/09/1080221709.db2.gz ZRAPDTBBMBNJAV-UHFFFAOYSA-N 1 2 418.538 2.099 20 0 HEADLO CCNC(=O)C[N@H+]1CCCN(C(=O)CN(C(=O)OC(C)(C)C)c2ccccc2)CC1 ZINC000767903182 1080221720 /nfs/dbraw/zinc/22/17/20/1080221720.db2.gz ZRAPDTBBMBNJAV-UHFFFAOYSA-N 1 2 418.538 2.099 20 0 HEADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)C[C@H](O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000772670828 1080234257 /nfs/dbraw/zinc/23/42/57/1080234257.db2.gz CCAADROOZPVPDZ-INIZCTEOSA-N 1 2 423.362 2.042 20 0 HEADLO Cc1cc2c[nH]nc2c(C(=O)OCC(=O)NCc2ccccc2C[NH+]2CCOCC2)c1 ZINC000785793681 1080248033 /nfs/dbraw/zinc/24/80/33/1080248033.db2.gz OEXYCTRMONOACX-UHFFFAOYSA-N 1 2 422.485 2.177 20 0 HEADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)C(=O)NCc2ccc(OC(F)(F)F)cc2)C1 ZINC000785803431 1080270716 /nfs/dbraw/zinc/27/07/16/1080270716.db2.gz JAWSNMLNCNNETB-CQSZACIVSA-N 1 2 410.396 2.341 20 0 HEADLO CC(C)c1cc(NC(=O)C(=O)N[C@@H](Cn2cc[nH+]c2)C(C)(C)C)n(-c2ncccn2)n1 ZINC000768003921 1080271463 /nfs/dbraw/zinc/27/14/63/1080271463.db2.gz SJCHMPRSTYHZCF-INIZCTEOSA-N 1 2 424.509 2.152 20 0 HEADLO Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)cc1 ZINC000768154971 1080374007 /nfs/dbraw/zinc/37/40/07/1080374007.db2.gz ZQDXAJXSYFKUIK-MJGOQNOKSA-N 1 2 416.547 2.288 20 0 HEADLO CC(C)(C)OC(=O)Nc1ccc(CN2CC[NH+](CC(=O)N3CCCC3)CC2)cn1 ZINC000768201118 1080392663 /nfs/dbraw/zinc/39/26/63/1080392663.db2.gz SUIGSTZKJRVUAZ-UHFFFAOYSA-N 1 2 403.527 2.169 20 0 HEADLO COCCC[N@H+](Cc1ccc(NC(=O)OC(C)(C)C)nc1)[C@@H]1CCS(=O)(=O)C1 ZINC000768204239 1080395062 /nfs/dbraw/zinc/39/50/62/1080395062.db2.gz TWNYHRHLIJJMQL-MRXNPFEDSA-N 1 2 413.540 2.454 20 0 HEADLO COCCC[N@@H+](Cc1ccc(NC(=O)OC(C)(C)C)nc1)[C@@H]1CCS(=O)(=O)C1 ZINC000768204239 1080395072 /nfs/dbraw/zinc/39/50/72/1080395072.db2.gz TWNYHRHLIJJMQL-MRXNPFEDSA-N 1 2 413.540 2.454 20 0 HEADLO O=C(C[NH+]1CCC(NC(=O)N[C@@H]2CCCC3(C2)OCCO3)CC1)Nc1ccccc1 ZINC000768191892 1080406294 /nfs/dbraw/zinc/40/62/94/1080406294.db2.gz QIMYPMZNARYDBC-LJQANCHMSA-N 1 2 416.522 2.074 20 0 HEADLO CCN(CC1CCN(c2ccccn2)CC1)C(=S)NCCC[NH+]1CCOCC1 ZINC000743039648 1080436315 /nfs/dbraw/zinc/43/63/15/1080436315.db2.gz ZAZLHLAMEYOSDX-UHFFFAOYSA-N 1 2 405.612 2.217 20 0 HEADLO Cc1cccc(-c2nnc(S[C@H](C)C(=O)N3CCN(c4cccc[nH+]4)CC3)n2N)c1 ZINC000768441156 1080561377 /nfs/dbraw/zinc/56/13/77/1080561377.db2.gz BBNHERMIQZNWBW-MRXNPFEDSA-N 1 2 423.546 2.192 20 0 HEADLO C[N@@H+]1CCN(C(=O)NC[C@]2(C)CCO[C@@H]2C2CC2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000768527816 1080612854 /nfs/dbraw/zinc/61/28/54/1080612854.db2.gz GDUKNQIBKFKPIQ-FVJLSDCUSA-N 1 2 410.559 2.042 20 0 HEADLO C[N@H+]1CCN(C(=O)NC[C@]2(C)CCO[C@@H]2C2CC2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000768527816 1080612861 /nfs/dbraw/zinc/61/28/61/1080612861.db2.gz GDUKNQIBKFKPIQ-FVJLSDCUSA-N 1 2 410.559 2.042 20 0 HEADLO CC(C)[C@@H](CNC(=O)C(=O)N1CCC(c2ccc(F)cc2)CC1)[NH+]1CCOCC1 ZINC000786462256 1080641467 /nfs/dbraw/zinc/64/14/67/1080641467.db2.gz HEEXPWISESRPNG-HXUWFJFHSA-N 1 2 405.514 2.005 20 0 HEADLO COc1cc2c(cc1CNC(=O)C(=O)NCc1ccc(-n3cc[nH+]c3)cc1)O[C@@H](C)C2 ZINC000786629026 1080723904 /nfs/dbraw/zinc/72/39/04/1080723904.db2.gz YAHNVYGOCIKQBA-HNNXBMFYSA-N 1 2 420.469 2.137 20 0 HEADLO COc1cc2c(cc1CNC(=O)C(=O)NCc1ccc(-n3cc[nH+]c3)cc1)O[C@H](C)C2 ZINC000786629029 1080724062 /nfs/dbraw/zinc/72/40/62/1080724062.db2.gz YAHNVYGOCIKQBA-OAHLLOKOSA-N 1 2 420.469 2.137 20 0 HEADLO C[N@@H+]1CC[C@@H](NC(=O)C(=O)NCc2ccc(Cl)nc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000786628593 1080724616 /nfs/dbraw/zinc/72/46/16/1080724616.db2.gz ILCQQUMEAOGPKG-WBVHZDCISA-N 1 2 408.836 2.191 20 0 HEADLO C[N@H+]1CC[C@@H](NC(=O)C(=O)NCc2ccc(Cl)nc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000786628593 1080724630 /nfs/dbraw/zinc/72/46/30/1080724630.db2.gz ILCQQUMEAOGPKG-WBVHZDCISA-N 1 2 408.836 2.191 20 0 HEADLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)c1cnn(CC(=O)NC2CCCCC2)c1 ZINC000746594532 1080737153 /nfs/dbraw/zinc/73/71/53/1080737153.db2.gz PDFKBVALXIVBTL-GOSISDBHSA-N 1 2 400.527 2.373 20 0 HEADLO CN(CCCn1cc[nH+]c1)C(=O)C(=O)Nc1ccc(N2CCCC2=O)c(Cl)c1 ZINC000768739133 1080763291 /nfs/dbraw/zinc/76/32/91/1080763291.db2.gz FTJIENXLSQIXIW-UHFFFAOYSA-N 1 2 403.870 2.151 20 0 HEADLO CN(CCCn1cc[nH+]c1)C(=O)C(=O)Nc1ccc(-n2cnc3ccccc32)nc1 ZINC000768739625 1080763653 /nfs/dbraw/zinc/76/36/53/1080763653.db2.gz JWJDBKWLAHWIQO-UHFFFAOYSA-N 1 2 403.446 2.104 20 0 HEADLO Cc1cc(NS(=O)(=O)c2cc(S(C)(=O)=O)ccc2Br)c(C)c[nH+]1 ZINC000746600227 1080769866 /nfs/dbraw/zinc/76/98/66/1080769866.db2.gz LITAVWBJUNFTIW-UHFFFAOYSA-N 1 2 419.322 2.087 20 0 HEADLO CCS(=O)(=O)CCn1cc(C)c(NC(=O)N[C@H](Cn2cc[nH+]c2)C(C)(C)C)n1 ZINC000786730229 1080779548 /nfs/dbraw/zinc/77/95/48/1080779548.db2.gz RODZXRPHFZZQOB-OAHLLOKOSA-N 1 2 410.544 2.059 20 0 HEADLO COc1ccc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2c(C)nn(C)c2N2CCOCC2)cc1 ZINC000768875958 1080827946 /nfs/dbraw/zinc/82/79/46/1080827946.db2.gz AQRGYPIDLFSIBL-FQEVSTJZSA-N 1 2 413.522 2.177 20 0 HEADLO COc1ccc(NC(=O)[C@@H]2CCC[N@H+]2Cc2c(C)nn(C)c2N2CCOCC2)cc1 ZINC000768875958 1080827948 /nfs/dbraw/zinc/82/79/48/1080827948.db2.gz AQRGYPIDLFSIBL-FQEVSTJZSA-N 1 2 413.522 2.177 20 0 HEADLO COCCOc1ccc(F)cc1S(=O)(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000786874386 1080864540 /nfs/dbraw/zinc/86/45/40/1080864540.db2.gz TYTGALOJXYOLGG-UHFFFAOYSA-N 1 2 423.510 2.404 20 0 HEADLO COc1cc(COC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)ccc1SC ZINC000786997833 1080910272 /nfs/dbraw/zinc/91/02/72/1080910272.db2.gz PFZNXANZYBUHQM-KRWDZBQOSA-N 1 2 422.547 2.174 20 0 HEADLO C[C@@H](OC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)c1ncc(C(C)(C)C)o1 ZINC000786998973 1080911703 /nfs/dbraw/zinc/91/17/03/1080911703.db2.gz LPWOMABKHXWIIN-HZPDHXFCSA-N 1 2 407.511 2.290 20 0 HEADLO Cc1ccc(C)c(OCCCOC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)c1 ZINC000787001745 1080914161 /nfs/dbraw/zinc/91/41/61/1080914161.db2.gz ZEORTLCWQSHRRG-HXUWFJFHSA-N 1 2 418.534 2.329 20 0 HEADLO Cc1cc(C)cc(OCCCOC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)c1 ZINC000787001572 1080914392 /nfs/dbraw/zinc/91/43/92/1080914392.db2.gz SGPUTPDSSRZECI-OAQYLSRUSA-N 1 2 418.534 2.329 20 0 HEADLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)[C@@H]1c2ccccc2CCN1C(=O)OC(C)(C)C ZINC000769190823 1080964043 /nfs/dbraw/zinc/96/40/43/1080964043.db2.gz ZMNKCNDMUDXXEQ-XLIONFOSSA-N 1 2 416.566 2.273 20 0 HEADLO CCC(=O)Nc1cccc(CNC(=O)C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000787083223 1080987129 /nfs/dbraw/zinc/98/71/29/1080987129.db2.gz OKUPMCWMVWZVDP-UHFFFAOYSA-N 1 2 405.458 2.153 20 0 HEADLO C[C@H]1C[N@H+](CCNC(=O)N2CCC(CNC(=O)OCc3ccccc3)CC2)CCO1 ZINC000787136467 1081022261 /nfs/dbraw/zinc/02/22/61/1081022261.db2.gz DFMJTVADKYJAKW-SFHVURJKSA-N 1 2 418.538 2.055 20 0 HEADLO C[C@H]1C[N@@H+](CCNC(=O)N2CCC(CNC(=O)OCc3ccccc3)CC2)CCO1 ZINC000787136467 1081022268 /nfs/dbraw/zinc/02/22/68/1081022268.db2.gz DFMJTVADKYJAKW-SFHVURJKSA-N 1 2 418.538 2.055 20 0 HEADLO C[N@@H+]1CCN(C(=O)c2ccc3c(c2)C(C)(C)C(=O)N3)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000769276522 1081028223 /nfs/dbraw/zinc/02/82/23/1081028223.db2.gz QHQQQZFUZFPNCQ-OAHLLOKOSA-N 1 2 416.522 2.197 20 0 HEADLO C[N@H+]1CCN(C(=O)c2ccc3c(c2)C(C)(C)C(=O)N3)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000769276522 1081028236 /nfs/dbraw/zinc/02/82/36/1081028236.db2.gz QHQQQZFUZFPNCQ-OAHLLOKOSA-N 1 2 416.522 2.197 20 0 HEADLO CN(CCCn1cc[nH+]c1)C(=O)CS(=O)(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000769307013 1081037672 /nfs/dbraw/zinc/03/76/72/1081037672.db2.gz LWWBGOBPPRNEFZ-UHFFFAOYSA-N 1 2 419.551 2.164 20 0 HEADLO Cn1c(Cl)nc(Cl)c1CN1CC[NH+](CCNC(=O)c2ccccc2F)CC1 ZINC000769341687 1081049142 /nfs/dbraw/zinc/04/91/42/1081049142.db2.gz HZXMSXXXKFPXMD-UHFFFAOYSA-N 1 2 414.312 2.414 20 0 HEADLO COc1cc(CNC(=O)C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)ccc1OC(C)C ZINC000787217433 1081052686 /nfs/dbraw/zinc/05/26/86/1081052686.db2.gz NQGIZBXYPRJHRN-INIZCTEOSA-N 1 2 400.479 2.228 20 0 HEADLO COC(=O)c1cccc(NC(=O)C[N@@H+]2CCC[C@H](CN(C)C(=O)OC(C)(C)C)C2)n1 ZINC000787206083 1081061623 /nfs/dbraw/zinc/06/16/23/1081061623.db2.gz WAWSQVFNCNQKPV-OAHLLOKOSA-N 1 2 420.510 2.386 20 0 HEADLO COC(=O)c1cccc(NC(=O)C[N@H+]2CCC[C@H](CN(C)C(=O)OC(C)(C)C)C2)n1 ZINC000787206083 1081061627 /nfs/dbraw/zinc/06/16/27/1081061627.db2.gz WAWSQVFNCNQKPV-OAHLLOKOSA-N 1 2 420.510 2.386 20 0 HEADLO Cc1ccc([C@H]2C[C@H](C)N(C(=O)NC3CC[NH+](CCS(C)(=O)=O)CC3)C2)cc1 ZINC000787210727 1081064247 /nfs/dbraw/zinc/06/42/47/1081064247.db2.gz JYJBAOKVCWLCHB-HKUYNNGSSA-N 1 2 407.580 2.391 20 0 HEADLO CCCOc1ccc(CNC(=O)C(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)cc1OC ZINC000787243118 1081067911 /nfs/dbraw/zinc/06/79/11/1081067911.db2.gz XPKCTUCXQCEUAB-KRWDZBQOSA-N 1 2 414.506 2.240 20 0 HEADLO Cn1cc(C[C@H]2CC(=O)N(C[N@H+](C)CCOc3ccc(C(F)(F)F)cc3)C2=O)cn1 ZINC000787244135 1081068244 /nfs/dbraw/zinc/06/82/44/1081068244.db2.gz GFYZYMYZPOCTLM-HNNXBMFYSA-N 1 2 424.423 2.325 20 0 HEADLO Cn1cc(C[C@H]2CC(=O)N(C[N@@H+](C)CCOc3ccc(C(F)(F)F)cc3)C2=O)cn1 ZINC000787244135 1081068251 /nfs/dbraw/zinc/06/82/51/1081068251.db2.gz GFYZYMYZPOCTLM-HNNXBMFYSA-N 1 2 424.423 2.325 20 0 HEADLO COc1cc(CN2CC[NH+](CC[S@](C)=O)CC2)ccc1OCc1ccncc1 ZINC000769479311 1081077649 /nfs/dbraw/zinc/07/76/49/1081077649.db2.gz HKPHACIANRNGEZ-NDEPHWFRSA-N 1 2 403.548 2.165 20 0 HEADLO CCOCCOCC[N@H+](C)CN1C(=O)N[C@](C)(c2ccc(F)cc2Cl)C1=O ZINC000787235874 1081083086 /nfs/dbraw/zinc/08/30/86/1081083086.db2.gz DAWOWBZQFLCQFM-GOSISDBHSA-N 1 2 401.866 2.189 20 0 HEADLO CCOCCOCC[N@@H+](C)CN1C(=O)N[C@](C)(c2ccc(F)cc2Cl)C1=O ZINC000787235874 1081083095 /nfs/dbraw/zinc/08/30/95/1081083095.db2.gz DAWOWBZQFLCQFM-GOSISDBHSA-N 1 2 401.866 2.189 20 0 HEADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)C(=O)NCc2cccnc2OC2CCCC2)C1 ZINC000787277376 1081087480 /nfs/dbraw/zinc/08/74/80/1081087480.db2.gz FMVIAUZQJKPRCE-QGZVFWFLSA-N 1 2 411.506 2.159 20 0 HEADLO Cc1csc(CCC(=O)OCC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)n1 ZINC000769498849 1081097826 /nfs/dbraw/zinc/09/78/26/1081097826.db2.gz RIXFJJDJOLSZFC-UHFFFAOYSA-N 1 2 403.504 2.398 20 0 HEADLO COC(=O)c1cccc(NC(=O)C[N@@H+]2CC[C@H](NC(=O)OC(C)(C)C)C[C@@H]2C)n1 ZINC000787269809 1081101827 /nfs/dbraw/zinc/10/18/27/1081101827.db2.gz RJNKNLKKROLFIR-KBPBESRZSA-N 1 2 406.483 2.184 20 0 HEADLO COC(=O)c1cccc(NC(=O)C[N@H+]2CC[C@H](NC(=O)OC(C)(C)C)C[C@@H]2C)n1 ZINC000787269809 1081101830 /nfs/dbraw/zinc/10/18/30/1081101830.db2.gz RJNKNLKKROLFIR-KBPBESRZSA-N 1 2 406.483 2.184 20 0 HEADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncnc2nc(SC)sc21 ZINC001164701318 719862124 /nfs/dbraw/zinc/86/21/24/719862124.db2.gz KDJUFULVFCBECF-KZULUSFZSA-N 1 2 423.564 2.041 20 0 HEADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc(C)nc(-c2ccncc2)n1 ZINC001164703192 719866980 /nfs/dbraw/zinc/86/69/80/719866980.db2.gz JYSSEXDOSJWYCZ-GCJKJVERSA-N 1 2 411.506 2.080 20 0 HEADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1ccc3cc(F)ccc3n1)CC2 ZINC001164709319 719904890 /nfs/dbraw/zinc/90/48/90/719904890.db2.gz SSMJJGUKHNXPSI-UHFFFAOYSA-N 1 2 408.481 2.058 20 0 HEADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ncnc5cc[nH]c54)CC3)C2=O)cs1 ZINC001164826490 720358416 /nfs/dbraw/zinc/35/84/16/720358416.db2.gz WBHXHXBBDJDAKO-UHFFFAOYSA-N 1 2 411.535 2.036 20 0 HEADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ncnc5cc[nH]c54)CC3)C2=O)cs1 ZINC001164826490 720358426 /nfs/dbraw/zinc/35/84/26/720358426.db2.gz WBHXHXBBDJDAKO-UHFFFAOYSA-N 1 2 411.535 2.036 20 0 HEADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ccc(Cl)nn4)CC3)C2=O)cs1 ZINC001164826762 720361917 /nfs/dbraw/zinc/36/19/17/720361917.db2.gz YWTMKBQHIVDZGI-UHFFFAOYSA-N 1 2 406.943 2.208 20 0 HEADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ccc(Cl)nn4)CC3)C2=O)cs1 ZINC001164826762 720361922 /nfs/dbraw/zinc/36/19/22/720361922.db2.gz YWTMKBQHIVDZGI-UHFFFAOYSA-N 1 2 406.943 2.208 20 0 HEADLO FC(F)(COc1cccc(Cl)n1)N1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001164832242 720398517 /nfs/dbraw/zinc/39/85/17/720398517.db2.gz ZYPQAOMEZZLYPT-UHFFFAOYSA-N 1 2 409.828 2.449 20 0 HEADLO Cc1cc(Cl)cc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164824952 720432197 /nfs/dbraw/zinc/43/21/97/720432197.db2.gz MYLCGNLKGPSOLH-INIZCTEOSA-N 1 2 405.930 2.230 20 0 HEADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1nc(Cl)ccc1F)C2 ZINC001164821962 720439272 /nfs/dbraw/zinc/43/92/72/720439272.db2.gz BHYXIXYYZBVBLF-AWEZNQCLSA-N 1 2 409.893 2.060 20 0 HEADLO Cc1ccnc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)c1Cl ZINC001164822381 720447047 /nfs/dbraw/zinc/44/70/47/720447047.db2.gz DJZGPACSCVGFES-INIZCTEOSA-N 1 2 405.930 2.230 20 0 HEADLO O=c1cc(Cn2cc[nH+]c2)nc2n1CCCN([C@@H](F)Oc1ccnc(Cl)c1)C2 ZINC001164860226 720895593 /nfs/dbraw/zinc/89/55/93/720895593.db2.gz UNUDFKXRPZCLOB-GOSISDBHSA-N 1 2 404.833 2.074 20 0 HEADLO COC(=O)c1cccc2nc(N3CCCn4c(C[N@H+](C)C(C)C)nnc4C3)ncc21 ZINC001165011256 721699929 /nfs/dbraw/zinc/69/99/29/721699929.db2.gz PFHJVIONRJCRMV-UHFFFAOYSA-N 1 2 409.494 2.258 20 0 HEADLO COC(=O)c1cccc2nc(N3CCCn4c(C[N@@H+](C)C(C)C)nnc4C3)ncc21 ZINC001165011256 721699932 /nfs/dbraw/zinc/69/99/32/721699932.db2.gz PFHJVIONRJCRMV-UHFFFAOYSA-N 1 2 409.494 2.258 20 0 HEADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(C(F)(F)Oc1cnc(Cl)cn1)C2 ZINC001165011347 721721604 /nfs/dbraw/zinc/72/16/04/721721604.db2.gz PFXYMFHPQGVSFN-UHFFFAOYSA-N 1 2 401.849 2.397 20 0 HEADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(C(F)(F)Oc1cnc(Cl)cn1)C2 ZINC001165011347 721721608 /nfs/dbraw/zinc/72/16/08/721721608.db2.gz PFXYMFHPQGVSFN-UHFFFAOYSA-N 1 2 401.849 2.397 20 0 HEADLO Clc1nc2ccoc2c(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164912730 721773085 /nfs/dbraw/zinc/77/30/85/721773085.db2.gz OYBBLCALYWTWHK-FQEVSTJZSA-N 1 2 415.881 2.379 20 0 HEADLO Clc1nc2ccoc2c(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164912730 721773092 /nfs/dbraw/zinc/77/30/92/721773092.db2.gz OYBBLCALYWTWHK-FQEVSTJZSA-N 1 2 415.881 2.379 20 0 HEADLO Cc1nc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nc(C)c1Cl ZINC001164916054 721786423 /nfs/dbraw/zinc/78/64/23/721786423.db2.gz OMIXLRKVPOUTIY-FQEVSTJZSA-N 1 2 403.914 2.250 20 0 HEADLO Cc1nc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nc(C)c1Cl ZINC001164916054 721786426 /nfs/dbraw/zinc/78/64/26/721786426.db2.gz OMIXLRKVPOUTIY-FQEVSTJZSA-N 1 2 403.914 2.250 20 0 HEADLO c1cncc(C[N@@H+]2CCOC[C@]3(CN(c4ccnc(-c5cccnc5)n4)CCO3)C2)c1 ZINC001164914566 721787181 /nfs/dbraw/zinc/78/71/81/721787181.db2.gz DZPGIDCLKGQGGX-HSZRJFAPSA-N 1 2 418.501 2.041 20 0 HEADLO c1cncc(C[N@H+]2CCOC[C@]3(CN(c4ccnc(-c5cccnc5)n4)CCO3)C2)c1 ZINC001164914566 721787184 /nfs/dbraw/zinc/78/71/84/721787184.db2.gz DZPGIDCLKGQGGX-HSZRJFAPSA-N 1 2 418.501 2.041 20 0 HEADLO CCSc1cncc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164914391 721795906 /nfs/dbraw/zinc/79/59/06/721795906.db2.gz MTORYWOEDFUTHG-HXUWFJFHSA-N 1 2 401.536 2.091 20 0 HEADLO CCSc1cncc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164914391 721795911 /nfs/dbraw/zinc/79/59/11/721795911.db2.gz MTORYWOEDFUTHG-HXUWFJFHSA-N 1 2 401.536 2.091 20 0 HEADLO CC(C)COc1nccnc1N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164915734 721798178 /nfs/dbraw/zinc/79/81/78/721798178.db2.gz ZBQPHZNGPJIUHY-JOCHJYFZSA-N 1 2 413.522 2.014 20 0 HEADLO CC(C)COc1nccnc1N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164915734 721798180 /nfs/dbraw/zinc/79/81/80/721798180.db2.gz ZBQPHZNGPJIUHY-JOCHJYFZSA-N 1 2 413.522 2.014 20 0 HEADLO CSCc1ccnc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c1 ZINC001164913552 721799462 /nfs/dbraw/zinc/79/94/62/721799462.db2.gz FGSLUTKPDKGSQA-NRFANRHFSA-N 1 2 400.548 2.447 20 0 HEADLO CSCc1ccnc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c1 ZINC001164913552 721799466 /nfs/dbraw/zinc/79/94/66/721799466.db2.gz FGSLUTKPDKGSQA-NRFANRHFSA-N 1 2 400.548 2.447 20 0 HEADLO Cc1cnc2n1CC[N@@H+](C)C21CCN(C(F)(F)c2ccc(C(N)=O)c(Cl)n2)CC1 ZINC001164916360 721812613 /nfs/dbraw/zinc/81/26/13/721812613.db2.gz HFCWWYBEYASVKJ-UHFFFAOYSA-N 1 2 424.883 2.325 20 0 HEADLO Cc1cnc2n1CC[N@H+](C)C21CCN(C(F)(F)c2ccc(C(N)=O)c(Cl)n2)CC1 ZINC001164916360 721812614 /nfs/dbraw/zinc/81/26/14/721812614.db2.gz HFCWWYBEYASVKJ-UHFFFAOYSA-N 1 2 424.883 2.325 20 0 HEADLO COC(=O)c1cc2c(OC)[nH]c(N3CCC4(CC3)c3[nH+]cc(C)n3CCN4C)cc-2n1 ZINC001164918397 721815456 /nfs/dbraw/zinc/81/54/56/721815456.db2.gz VVNINMGZLUMGAT-UHFFFAOYSA-N 1 2 424.505 2.304 20 0 HEADLO Cc1nc(CN2CCOC[C@]3(CN(c4cc(N)cc(Cl)[nH+]4)CCO3)C2)cs1 ZINC001164924102 721826367 /nfs/dbraw/zinc/82/63/67/721826367.db2.gz LMKWMGJTPAWZLV-GOSISDBHSA-N 1 2 409.943 2.190 20 0 HEADLO COc1nc(Cl)cc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)n1 ZINC001164942132 721969304 /nfs/dbraw/zinc/96/93/04/721969304.db2.gz AZLPIRDYPBUTDL-UHFFFAOYSA-N 1 2 401.898 2.110 20 0 HEADLO COc1nc(Cl)cc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)n1 ZINC001164942132 721969306 /nfs/dbraw/zinc/96/93/06/721969306.db2.gz AZLPIRDYPBUTDL-UHFFFAOYSA-N 1 2 401.898 2.110 20 0 HEADLO CCOC(=O)c1cccc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)n1 ZINC001164945082 721972702 /nfs/dbraw/zinc/97/27/02/721972702.db2.gz OPUBFJQWVYJJNG-UHFFFAOYSA-N 1 2 408.502 2.229 20 0 HEADLO CCOC(=O)c1cccc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)n1 ZINC001164945082 721972706 /nfs/dbraw/zinc/97/27/06/721972706.db2.gz OPUBFJQWVYJJNG-UHFFFAOYSA-N 1 2 408.502 2.229 20 0 HEADLO COC(=O)c1cc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)ncc1C ZINC001164948425 721975952 /nfs/dbraw/zinc/97/59/52/721975952.db2.gz ZAQGRZRLTVTFCH-UHFFFAOYSA-N 1 2 408.502 2.148 20 0 HEADLO COC(=O)c1cc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)ncc1C ZINC001164948425 721975954 /nfs/dbraw/zinc/97/59/54/721975954.db2.gz ZAQGRZRLTVTFCH-UHFFFAOYSA-N 1 2 408.502 2.148 20 0 HEADLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1cncc(N3CCCCC3)n1)CC2 ZINC001164945767 721976270 /nfs/dbraw/zinc/97/62/70/721976270.db2.gz FSTMAZLRYVPJNL-UHFFFAOYSA-N 1 2 420.561 2.438 20 0 HEADLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1cncc(N3CCCCC3)n1)CC2 ZINC001164945767 721976272 /nfs/dbraw/zinc/97/62/72/721976272.db2.gz FSTMAZLRYVPJNL-UHFFFAOYSA-N 1 2 420.561 2.438 20 0 HEADLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN([C@H](F)Oc1cncc(Cl)n1)CC2 ZINC001164950395 721980680 /nfs/dbraw/zinc/98/06/80/721980680.db2.gz SIPFMVHYXQPJQO-IBGZPJMESA-N 1 2 419.888 2.229 20 0 HEADLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN([C@H](F)Oc1cncc(Cl)n1)CC2 ZINC001164950395 721980684 /nfs/dbraw/zinc/98/06/84/721980684.db2.gz SIPFMVHYXQPJQO-IBGZPJMESA-N 1 2 419.888 2.229 20 0 HEADLO NC(=NOCC(=O)NCc1cccc(Cl)c1)c1cccc(C[NH+]2CCOCC2)c1 ZINC000745448672 1078486826 /nfs/dbraw/zinc/48/68/26/1078486826.db2.gz ROTOGZARLBKSEG-UHFFFAOYSA-N 1 2 416.909 2.335 20 0 HEADLO Cc1cc(N2CCN(C(=O)COC(=O)CCC(F)(F)F)CC2)nc(C(C)C)[nH+]1 ZINC000745520609 1078522159 /nfs/dbraw/zinc/52/21/59/1078522159.db2.gz DRUYPYDDZKYXHA-UHFFFAOYSA-N 1 2 402.417 2.443 20 0 HEADLO CC(C)(C)OC(=O)N1CCC([N@H+](Cc2nnnn2CC2CCOCC2)C2CC2)CC1 ZINC000769748582 1078559330 /nfs/dbraw/zinc/55/93/30/1078559330.db2.gz YYHPVMKHDKHJJC-UHFFFAOYSA-N 1 2 420.558 2.464 20 0 HEADLO CC(C)(C)OC(=O)N1CCC([N@@H+](Cc2nnnn2CC2CCOCC2)C2CC2)CC1 ZINC000769748582 1078559338 /nfs/dbraw/zinc/55/93/38/1078559338.db2.gz YYHPVMKHDKHJJC-UHFFFAOYSA-N 1 2 420.558 2.464 20 0 HEADLO Cc1cc(N2CCN(C(=O)COC(=O)CCC3CCOCC3)CC2)nc(C(C)C)[nH+]1 ZINC000745656991 1078569868 /nfs/dbraw/zinc/56/98/68/1078569868.db2.gz FPRIUYGZKHGFRT-UHFFFAOYSA-N 1 2 418.538 2.307 20 0 HEADLO C[C@H]1CC[C@@H](CCC(=O)OCC(=O)NCc2ccccc2C[NH+]2CCOCC2)O1 ZINC000745710787 1078603267 /nfs/dbraw/zinc/60/32/67/1078603267.db2.gz FHPROKUBXCSITC-PXNSSMCTSA-N 1 2 404.507 2.026 20 0 HEADLO O=C(C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[C@@H]3O[C@H]1[C@H]1C[C@H]13)C2)NCCC1CCCCC1 ZINC001109538579 1078603679 /nfs/dbraw/zinc/60/36/79/1078603679.db2.gz IRRUZPMGGIFYRK-KSZDVZKTSA-N 1 2 415.578 2.218 20 0 HEADLO O=C(C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[C@@H]3O[C@H]1[C@H]1C[C@H]13)C2)NCCC1CCCCC1 ZINC001109538579 1078603688 /nfs/dbraw/zinc/60/36/88/1078603688.db2.gz IRRUZPMGGIFYRK-KSZDVZKTSA-N 1 2 415.578 2.218 20 0 HEADLO CC(C)NC(=O)c1ccccc1NC(=O)C[N@@H+]1CCC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000769898758 1078622404 /nfs/dbraw/zinc/62/24/04/1078622404.db2.gz LYRZCXAYIFRRCE-SUMWQHHRSA-N 1 2 401.429 2.399 20 0 HEADLO CC(C)NC(=O)c1ccccc1NC(=O)C[N@H+]1CCC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000769898758 1078622409 /nfs/dbraw/zinc/62/24/09/1078622409.db2.gz LYRZCXAYIFRRCE-SUMWQHHRSA-N 1 2 401.429 2.399 20 0 HEADLO O=C(NCc1ccc(N2CCCCC2=O)cc1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000745744452 1078632035 /nfs/dbraw/zinc/63/20/35/1078632035.db2.gz HBENJXDLIDMQHO-FQEVSTJZSA-N 1 2 400.523 2.210 20 0 HEADLO Cc1ccc([C@H](C)[C@H](O)C(=O)OCC(=O)N2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000745746966 1078634044 /nfs/dbraw/zinc/63/40/44/1078634044.db2.gz DEBPQRUVUDETGJ-UWJYYQICSA-N 1 2 416.543 2.409 20 0 HEADLO C[C@@H](NC(=O)N1CCC[C@H]1C[NH+]1CCOCC1)c1cccc(N2CCOC2=O)c1 ZINC000745781437 1078640215 /nfs/dbraw/zinc/64/02/15/1078640215.db2.gz OHJLLHQBYAJOKO-APWZRJJASA-N 1 2 402.495 2.210 20 0 HEADLO CCC(CC)(CNC(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1)NC(=O)OC(C)(C)C ZINC000745806075 1078654633 /nfs/dbraw/zinc/65/46/33/1078654633.db2.gz CFVVPNMAKACKEK-CVEARBPZSA-N 1 2 400.564 2.478 20 0 HEADLO CCOC(=O)N1CCN(C(=O)[C@@H](C)N2CC[NH+]([C@H](C)c3cccc(F)c3)CC2)CC1 ZINC000769927989 1078662224 /nfs/dbraw/zinc/66/22/24/1078662224.db2.gz HSDMCMSPZWTOOT-QZTJIDSGSA-N 1 2 420.529 2.194 20 0 HEADLO CCOC(=O)N1CCN(C(=O)[C@@H](C)[NH+]2CCN([C@H](C)c3cccc(F)c3)CC2)CC1 ZINC000769927989 1078662227 /nfs/dbraw/zinc/66/22/27/1078662227.db2.gz HSDMCMSPZWTOOT-QZTJIDSGSA-N 1 2 420.529 2.194 20 0 HEADLO CC(C)(C)OC(=O)NC[C@@H](NC(=O)NCC(C)(C)[NH+]1CCOCC1)C1CCCC1 ZINC000770090898 1078716064 /nfs/dbraw/zinc/71/60/64/1078716064.db2.gz STEUZTAWHYDXDN-QGZVFWFLSA-N 1 2 412.575 2.480 20 0 HEADLO O=C(Cn1cc[nH+]c1)NCCN1C(=O)S/C(=C/c2ccc(OC(F)F)cc2)C1=O ZINC000746112984 1078793025 /nfs/dbraw/zinc/79/30/25/1078793025.db2.gz DGLQDQZJRIQGDH-NTEUORMPSA-N 1 2 422.413 2.337 20 0 HEADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N1CCOC[C@@H]1C[C@H](O)c1ccco1 ZINC000770259685 1078793938 /nfs/dbraw/zinc/79/39/38/1078793938.db2.gz GWRFLAALNKQDHY-WMZOPIPTSA-N 1 2 416.478 2.176 20 0 HEADLO O=C([C@@H](O)C1CCOCC1)N1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000746121977 1078797291 /nfs/dbraw/zinc/79/72/91/1078797291.db2.gz ODEGZABTDWEDHT-KRWDZBQOSA-N 1 2 402.413 2.017 20 0 HEADLO C[C@H](c1ccco1)[N@H+](C)CC(=O)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 ZINC000746124781 1078798013 /nfs/dbraw/zinc/79/80/13/1078798013.db2.gz WUDFSGHKWUCFAI-GANRHZMWSA-N 1 2 417.531 2.417 20 0 HEADLO C[C@H](c1ccco1)[N@@H+](C)CC(=O)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 ZINC000746124781 1078798017 /nfs/dbraw/zinc/79/80/17/1078798017.db2.gz WUDFSGHKWUCFAI-GANRHZMWSA-N 1 2 417.531 2.417 20 0 HEADLO CC(C)(C)OC(=O)N1CCN(C(=O)N2CC[NH+](C[C@@H](O)c3ccccc3)CC2)CC1 ZINC000770278551 1078804828 /nfs/dbraw/zinc/80/48/28/1078804828.db2.gz OLBYOADYZTUAOQ-LJQANCHMSA-N 1 2 418.538 2.010 20 0 HEADLO CC[NH+](CC)[C@@H](C(=O)N1CCO[C@@H](c2nn[nH]n2)C1)c1cccc(C(F)(F)F)c1 ZINC000746236345 1078828385 /nfs/dbraw/zinc/82/83/85/1078828385.db2.gz FZDPMQBJYJPZOL-HUUCEWRRSA-N 1 2 412.416 2.202 20 0 HEADLO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1CN1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000770328190 1078829808 /nfs/dbraw/zinc/82/98/08/1078829808.db2.gz VZVNJUQHVYXPLV-FRFSOERESA-N 1 2 411.959 2.484 20 0 HEADLO CC(C)(C)OC(=O)N1CC[C@@H]([NH+]2CCN(CC(=O)Nc3ccccc3F)CC2)C1 ZINC000770378227 1078834365 /nfs/dbraw/zinc/83/43/65/1078834365.db2.gz FQNWGAYZOVPJNN-MRXNPFEDSA-N 1 2 406.502 2.391 20 0 HEADLO CCOc1ccccc1CN(CCCn1cc[nH+]c1)C(=O)NC1CN(C(=O)OC)C1 ZINC000770426408 1078850810 /nfs/dbraw/zinc/85/08/10/1078850810.db2.gz QGTFICXJPMXBSN-UHFFFAOYSA-N 1 2 415.494 2.334 20 0 HEADLO O=C(C1CC[NH+](CN2C(=O)C[C@]3(CCSC3)C2=O)CC1)N1CCc2ccccc21 ZINC000746506232 1078849750 /nfs/dbraw/zinc/84/97/50/1078849750.db2.gz PTHUWGZAOVKCJN-QFIPXVFZSA-N 1 2 413.543 2.127 20 0 HEADLO Cc1nc2c(c(=O)[nH]n2C)c(C)c1CCC(=O)N1CCC([N@H+](C)CC(F)F)CC1 ZINC000746324353 1078859431 /nfs/dbraw/zinc/85/94/31/1078859431.db2.gz VFCRKIYPDHOMOV-UHFFFAOYSA-N 1 2 409.481 2.411 20 0 HEADLO Cc1nc2c(c(=O)[nH]n2C)c(C)c1CCC(=O)N1CCC([N@@H+](C)CC(F)F)CC1 ZINC000746324353 1078859435 /nfs/dbraw/zinc/85/94/35/1078859435.db2.gz VFCRKIYPDHOMOV-UHFFFAOYSA-N 1 2 409.481 2.411 20 0 HEADLO Cn1cc(C[C@H]2CC(=O)N(C[N@H+](C)CCCOc3cccc(Cl)c3)C2=O)cn1 ZINC000746372287 1078880545 /nfs/dbraw/zinc/88/05/45/1078880545.db2.gz FQXVYEFNVUIYNE-INIZCTEOSA-N 1 2 404.898 2.350 20 0 HEADLO Cn1cc(C[C@H]2CC(=O)N(C[N@@H+](C)CCCOc3cccc(Cl)c3)C2=O)cn1 ZINC000746372287 1078880546 /nfs/dbraw/zinc/88/05/46/1078880546.db2.gz FQXVYEFNVUIYNE-INIZCTEOSA-N 1 2 404.898 2.350 20 0 HEADLO CC1CCC(OC2CC[NH+](CN3C(=O)C[C@@H](Cc4cnn(C)c4)C3=O)CC2)CC1 ZINC000746375338 1078882178 /nfs/dbraw/zinc/88/21/78/1078882178.db2.gz AUCVXERKTXQSGW-CUYAVPTFSA-N 1 2 402.539 2.355 20 0 HEADLO CC(C)(C)[C@@H]1CCCC[C@H]1CNC(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000746378297 1078884166 /nfs/dbraw/zinc/88/41/66/1078884166.db2.gz RUAIQJGNWYFKOM-PKOBYXMFSA-N 1 2 419.570 2.123 20 0 HEADLO COc1c(C)c[nH+]c(CNC(=O)C(=O)Nc2cccc(-c3nnc(C)n3C)c2)c1C ZINC000746384965 1078888347 /nfs/dbraw/zinc/88/83/47/1078888347.db2.gz RWMAFSHVZMTQAI-UHFFFAOYSA-N 1 2 408.462 2.066 20 0 HEADLO O=C(c1cccnc1S(=O)(=O)C(F)(F)F)N1CC[NH+](C2CCCCC2)CC1 ZINC000766366756 1078921134 /nfs/dbraw/zinc/92/11/34/1078921134.db2.gz OFEFJHCMSCMQQB-UHFFFAOYSA-N 1 2 405.442 2.466 20 0 HEADLO CC/C=C(/C)C(=O)N1CSC[C@@H]1C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000770664646 1078924964 /nfs/dbraw/zinc/92/49/64/1078924964.db2.gz IKXVRJSMKRRTHT-OTMHGDBASA-N 1 2 404.536 2.423 20 0 HEADLO O=C(CN1CCSC1=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000804270489 1078960396 /nfs/dbraw/zinc/96/03/96/1078960396.db2.gz YBZSISYKXSDINP-UHFFFAOYSA-N 1 2 413.297 2.436 20 0 HEADLO CCc1noc(CCCC(=O)N2CC[NH+](CCOc3cccc(OC)c3)CC2)n1 ZINC000766409143 1078957134 /nfs/dbraw/zinc/95/71/34/1078957134.db2.gz QYDUMHKRIQOYCO-UHFFFAOYSA-N 1 2 402.495 2.187 20 0 HEADLO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cc(S(C)(=O)=O)sc2Cl)C[C@H]1C ZINC000770690468 1078958479 /nfs/dbraw/zinc/95/84/79/1078958479.db2.gz YKRGYKALGRTQGI-MNOVXSKESA-N 1 2 415.002 2.298 20 0 HEADLO CC[N@H+]1CC[C@H](N(C)S(=O)(=O)c2cc(S(C)(=O)=O)sc2Cl)C[C@H]1C ZINC000770690468 1078958486 /nfs/dbraw/zinc/95/84/86/1078958486.db2.gz YKRGYKALGRTQGI-MNOVXSKESA-N 1 2 415.002 2.298 20 0 HEADLO COc1cccc(OCC[NH+]2CCN(C(=O)C3(NC(=O)OC(C)(C)C)CC3)CC2)c1 ZINC000766412270 1078966987 /nfs/dbraw/zinc/96/69/87/1078966987.db2.gz KIKXJZBIDVOIRC-UHFFFAOYSA-N 1 2 419.522 2.276 20 0 HEADLO CCOC(=O)C1=C(C[N@H+](C)Cc2ccc(O)c(OC)c2)NC(=O)N[C@@H]1c1ccco1 ZINC000746450376 1078973061 /nfs/dbraw/zinc/97/30/61/1078973061.db2.gz SSOVFNKNKDYBIO-LJQANCHMSA-N 1 2 415.446 2.297 20 0 HEADLO CCOC(=O)C1=C(C[N@@H+](C)Cc2ccc(O)c(OC)c2)NC(=O)N[C@@H]1c1ccco1 ZINC000746450376 1078973074 /nfs/dbraw/zinc/97/30/74/1078973074.db2.gz SSOVFNKNKDYBIO-LJQANCHMSA-N 1 2 415.446 2.297 20 0 HEADLO Cn1ncc(NC(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)cc2)c1C1CC1 ZINC000770767498 1078985979 /nfs/dbraw/zinc/98/59/79/1078985979.db2.gz XOUAHSZCHYKWRQ-NVXWUHKLSA-N 1 2 401.898 2.451 20 0 HEADLO Cn1ncc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)cc2)c1C1CC1 ZINC000770767498 1078985990 /nfs/dbraw/zinc/98/59/90/1078985990.db2.gz XOUAHSZCHYKWRQ-NVXWUHKLSA-N 1 2 401.898 2.451 20 0 HEADLO COc1cccc(OCC[NH+]2CCN(C(=O)c3[nH]nc(C)c3Br)CC2)c1 ZINC000766420052 1078987756 /nfs/dbraw/zinc/98/77/56/1078987756.db2.gz PDEMJEKWLZRDBQ-UHFFFAOYSA-N 1 2 423.311 2.326 20 0 HEADLO CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)Nc3cnn(C)c3C3CC3)cc2)CC1 ZINC000770782079 1079012900 /nfs/dbraw/zinc/01/29/00/1079012900.db2.gz MSHSJLVXYPIHFR-UHFFFAOYSA-N 1 2 410.522 2.012 20 0 HEADLO NC(=O)c1ccc(NC(=O)N2CC[NH+](Cc3ccc(OC(F)(F)F)cc3)CC2)cn1 ZINC000766462656 1079013691 /nfs/dbraw/zinc/01/36/91/1079013691.db2.gz WZQQVRQIQXQAFC-UHFFFAOYSA-N 1 2 423.395 2.429 20 0 HEADLO Cc1ccc(NC(=O)[C@H](C)N2CC[NH+](CC[S@@](C)=O)CC2)c(Br)c1 ZINC000746471040 1079020234 /nfs/dbraw/zinc/02/02/34/1079020234.db2.gz UORUHBKYZUSJBC-LFPIHBKWSA-N 1 2 416.385 2.081 20 0 HEADLO O=C(C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[C@H]3CC[C@@H]1O3)C2)NCCC1CCCCC1 ZINC001109740376 1079038455 /nfs/dbraw/zinc/03/84/55/1079038455.db2.gz PVAQMQVIHKQWFX-SQDPYLFBSA-N 1 2 403.567 2.362 20 0 HEADLO O=C(C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[C@H]3CC[C@@H]1O3)C2)NCCC1CCCCC1 ZINC001109740376 1079038466 /nfs/dbraw/zinc/03/84/66/1079038466.db2.gz PVAQMQVIHKQWFX-SQDPYLFBSA-N 1 2 403.567 2.362 20 0 HEADLO CC(C)(C)OC(=O)NCc1cc(C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)ccn1 ZINC000766507839 1079050044 /nfs/dbraw/zinc/05/00/44/1079050044.db2.gz RNEZMZVHJRCQCK-LJQANCHMSA-N 1 2 418.538 2.433 20 0 HEADLO CCOC(=O)[C@@H]([NH2+][C@@H]1CCN(Cc2ccc(OC)cc2)C(=O)C1)C1CCOCC1 ZINC001168906119 1079071715 /nfs/dbraw/zinc/07/17/15/1079071715.db2.gz UYSNNPNIGCKODI-NQIIRXRSSA-N 1 2 404.507 2.134 20 0 HEADLO O=C(N1CCO[C@H](C[NH+]2CCOCC2)C1)C1(c2cc(F)cc(C(F)(F)F)c2)CC1 ZINC001169002765 1079096878 /nfs/dbraw/zinc/09/68/78/1079096878.db2.gz PCNBCXGFNDHLLD-QGZVFWFLSA-N 1 2 416.415 2.436 20 0 HEADLO CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000771030874 1079109838 /nfs/dbraw/zinc/10/98/38/1079109838.db2.gz DNHOUTMMKAYCMJ-RBUKOAKNSA-N 1 2 403.523 2.056 20 0 HEADLO COC(=O)C[C@]1([NH2+]Cc2csc(CC(=O)Nc3ccccc3C)n2)CCOC1 ZINC001169072532 1079124172 /nfs/dbraw/zinc/12/41/72/1079124172.db2.gz JWQWYYZQRWWWGE-HXUWFJFHSA-N 1 2 403.504 2.445 20 0 HEADLO Cn1ncc(C(=O)NCCn2c[nH+]cc2-c2ccccc2)c1I ZINC001169168230 1079176535 /nfs/dbraw/zinc/17/65/35/1079176535.db2.gz PLOZEEWNUOXGDE-UHFFFAOYSA-N 1 2 421.242 2.318 20 0 HEADLO CN(CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1)c1ccc2nnc(C(F)F)n2n1 ZINC000771198029 1079199945 /nfs/dbraw/zinc/19/99/45/1079199945.db2.gz WSMGCDKBBUDQHG-UHFFFAOYSA-N 1 2 411.457 2.051 20 0 HEADLO C[C@H](CN1CCOCC1)OC(=O)c1ccccc1S[C@H](C)C[NH+]1CCOCC1 ZINC000771185585 1079213179 /nfs/dbraw/zinc/21/31/79/1079213179.db2.gz KYFBAEOMSADFSS-QZTJIDSGSA-N 1 2 408.564 2.377 20 0 HEADLO C[C@H](C[NH+]1CCOCC1)Sc1ccccc1C(=O)O[C@@H](C)CN1CCOCC1 ZINC000771185587 1079213486 /nfs/dbraw/zinc/21/34/86/1079213486.db2.gz KYFBAEOMSADFSS-ZWKOTPCHSA-N 1 2 408.564 2.377 20 0 HEADLO CCOC(=O)[C@@H]1CC[C@H]([NH+]2CCN(c3ccc(C(=O)OC)cc3Cl)CC2)CO1 ZINC001169421321 1079279853 /nfs/dbraw/zinc/27/98/53/1079279853.db2.gz XUQXNRABWCHJKS-YJBOKZPZSA-N 1 2 410.898 2.359 20 0 HEADLO CCOC(=O)[C@H]1CC[C@H]([NH+]2CCN(c3ccc(C(=O)OC)cc3Cl)CC2)CO1 ZINC001169421319 1079279866 /nfs/dbraw/zinc/27/98/66/1079279866.db2.gz XUQXNRABWCHJKS-MAUKXSAKSA-N 1 2 410.898 2.359 20 0 HEADLO COc1ccc(OC)c([C@H](O)CNC(=O)CNc2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC001169443817 1079294273 /nfs/dbraw/zinc/29/42/73/1079294273.db2.gz FVKMALWYJFIPGM-HXUWFJFHSA-N 1 2 410.474 2.210 20 0 HEADLO COCCN1CC[N@H+](C)C2(CCN(Cc3cc(Br)cs3)CC2)C1=O ZINC001204026623 1079315048 /nfs/dbraw/zinc/31/50/48/1079315048.db2.gz RWKPEEMXVHRGIS-UHFFFAOYSA-N 1 2 416.385 2.266 20 0 HEADLO COCCN1CC[N@@H+](C)C2(CCN(Cc3cc(Br)cs3)CC2)C1=O ZINC001204026623 1079315056 /nfs/dbraw/zinc/31/50/56/1079315056.db2.gz RWKPEEMXVHRGIS-UHFFFAOYSA-N 1 2 416.385 2.266 20 0 HEADLO CS(=O)(=O)c1ccnc(N[C@@H]2C[C@H](C(=O)OCc3ccccc3)CCC[NH2+]2)c1 ZINC001169513102 1079318893 /nfs/dbraw/zinc/31/88/93/1079318893.db2.gz NYZBAZDPJROMFK-SJLPKXTDSA-N 1 2 403.504 2.356 20 0 HEADLO O=C(OCc1ccccc1)[C@H]1CCC[NH2+][C@@H](Nc2ncccc2N2C(=O)C=CC2=O)C1 ZINC001169514858 1079319080 /nfs/dbraw/zinc/31/90/80/1079319080.db2.gz SARYIEOTWUUEKP-HKUYNNGSSA-N 1 2 420.469 2.382 20 0 HEADLO O=C(N[C@@H]1CCc2c[nH+]cn2C1)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC000804332710 1079348632 /nfs/dbraw/zinc/34/86/32/1079348632.db2.gz PSHUCOKSKWWJTQ-CQSZACIVSA-N 1 2 408.911 2.066 20 0 HEADLO CCNc1nc(N2Cc3c(OC)ccc(OC)c3[C@H](O)C2)nc(NC(C)(C)C)[nH+]1 ZINC000804333363 1079366441 /nfs/dbraw/zinc/36/64/41/1079366441.db2.gz YYPCMVAGJUVPOE-CYBMUJFWSA-N 1 2 402.499 2.007 20 0 HEADLO CC(C)(C)OC(=O)N[C@]1(C(=O)N[C@@H]2CCc3c[nH+]cn3C2)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000804334844 1079373958 /nfs/dbraw/zinc/37/39/58/1079373958.db2.gz KUOIDSCXVZWNLL-SKGWCBBHSA-N 1 2 418.538 2.413 20 0 HEADLO CCC[C@H]1CN(S(=O)(=O)c2ccc(Cl)c(C(=O)OC)c2)CC[N@@H+]1CCOC ZINC000766852650 1079437780 /nfs/dbraw/zinc/43/77/80/1079437780.db2.gz BPAZUDRBSOIUQU-AWEZNQCLSA-N 1 2 418.943 2.248 20 0 HEADLO CCC[C@H]1CN(S(=O)(=O)c2ccc(Cl)c(C(=O)OC)c2)CC[N@H+]1CCOC ZINC000766852650 1079437785 /nfs/dbraw/zinc/43/77/85/1079437785.db2.gz BPAZUDRBSOIUQU-AWEZNQCLSA-N 1 2 418.943 2.248 20 0 HEADLO CCOC1CC(CNC(=O)Nc2cccc(N3CCOC3=O)c2)([NH+]2CCOCC2)C1 ZINC000766854731 1079442094 /nfs/dbraw/zinc/44/20/94/1079442094.db2.gz OJZWYQMOSNQNEM-UHFFFAOYSA-N 1 2 418.494 2.035 20 0 HEADLO COC(=O)CC[N@H+](Cc1cn2cc(Br)ccc2n1)CC(OC)OC ZINC000766880186 1079474700 /nfs/dbraw/zinc/47/47/00/1079474700.db2.gz WFNIQERIFAHIST-UHFFFAOYSA-N 1 2 400.273 2.081 20 0 HEADLO COC(=O)CC[N@@H+](Cc1cn2cc(Br)ccc2n1)CC(OC)OC ZINC000766880186 1079474708 /nfs/dbraw/zinc/47/47/08/1079474708.db2.gz WFNIQERIFAHIST-UHFFFAOYSA-N 1 2 400.273 2.081 20 0 HEADLO CCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+](CC(=O)Nc2sc3c(c2C(N)=O)CCC3)C1 ZINC000065252892 1075910778 /nfs/dbraw/zinc/91/07/78/1075910778.db2.gz YEHWJDPQIYXLKV-KGLIPLIRSA-N 1 2 420.579 2.291 20 0 HEADLO CCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+](CC(=O)Nc2sc3c(c2C(N)=O)CCC3)C1 ZINC000065252892 1075910786 /nfs/dbraw/zinc/91/07/86/1075910786.db2.gz YEHWJDPQIYXLKV-KGLIPLIRSA-N 1 2 420.579 2.291 20 0 HEADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)CCNC(=O)OCC(F)(F)F ZINC000737645346 1075916253 /nfs/dbraw/zinc/91/62/53/1075916253.db2.gz PIOZCDQNDZWALW-UHFFFAOYSA-N 1 2 403.401 2.444 20 0 HEADLO Cc1oc(-c2ccccc2F)nc1C(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000737776745 1075927823 /nfs/dbraw/zinc/92/78/23/1075927823.db2.gz ATJLUYRBMHYSOU-UHFFFAOYSA-N 1 2 421.436 2.428 20 0 HEADLO CC(C)(C)OC(=O)NC(C)(C)CCC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000737806236 1075930559 /nfs/dbraw/zinc/93/05/59/1075930559.db2.gz JQCWDHZITPERSF-HXUWFJFHSA-N 1 2 415.600 2.394 20 0 HEADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H](NC(=O)OCc1ccccc1)c1ccccc1 ZINC000737836386 1075935256 /nfs/dbraw/zinc/93/52/56/1075935256.db2.gz FHVNULVFVUHDKB-WIYYLYMNSA-N 1 2 411.502 2.491 20 0 HEADLO C[C@@H]1COCC[N@H+]1CCNC(=O)[C@H](NC(=O)OCc1ccccc1)c1ccccc1 ZINC000737836386 1075935262 /nfs/dbraw/zinc/93/52/62/1075935262.db2.gz FHVNULVFVUHDKB-WIYYLYMNSA-N 1 2 411.502 2.491 20 0 HEADLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)[C@H](NC(=O)OCc1ccccc1)c1ccccc1 ZINC000737841673 1075935902 /nfs/dbraw/zinc/93/59/02/1075935902.db2.gz QCJLHDMJAHEOOU-SIKLNZKXSA-N 1 2 424.545 2.406 20 0 HEADLO CC[N@H+](CCC(=O)OC)CN1C(=O)N[C@@](C)(c2ccc(Br)cc2)C1=O ZINC000738099603 1075960956 /nfs/dbraw/zinc/96/09/56/1075960956.db2.gz NXUPUHRYGBUICW-KRWDZBQOSA-N 1 2 412.284 2.059 20 0 HEADLO CC[N@@H+](CCC(=O)OC)CN1C(=O)N[C@@](C)(c2ccc(Br)cc2)C1=O ZINC000738099603 1075960959 /nfs/dbraw/zinc/96/09/59/1075960959.db2.gz NXUPUHRYGBUICW-KRWDZBQOSA-N 1 2 412.284 2.059 20 0 HEADLO O=C1N[C@](c2ccccc2)(C(F)(F)F)C(=O)N1C[N@@H+]1CCC[C@@H](C2OCCO2)C1 ZINC000738148323 1075969248 /nfs/dbraw/zinc/96/92/48/1075969248.db2.gz JXDDPPNPCXRXLJ-ACJLOTCBSA-N 1 2 413.396 2.038 20 0 HEADLO O=C1N[C@](c2ccccc2)(C(F)(F)F)C(=O)N1C[N@H+]1CCC[C@@H](C2OCCO2)C1 ZINC000738148323 1075969257 /nfs/dbraw/zinc/96/92/57/1075969257.db2.gz JXDDPPNPCXRXLJ-ACJLOTCBSA-N 1 2 413.396 2.038 20 0 HEADLO CC(C)Cn1c(=S)n(CN2CCC[C@H](n3cc[nH+]c3)C2)nc1N1CCOCC1 ZINC000738159048 1075970291 /nfs/dbraw/zinc/97/02/91/1075970291.db2.gz QKUNPTKSOIOWBB-KRWDZBQOSA-N 1 2 405.572 2.398 20 0 HEADLO NC(=O)CCc1nn(C[NH+]2CCc3ccccc3CC2)c(=S)n1C[C@H]1CCCO1 ZINC000738227106 1075976012 /nfs/dbraw/zinc/97/60/12/1075976012.db2.gz RIJRHGRBAUCQMD-GOSISDBHSA-N 1 2 415.563 2.069 20 0 HEADLO COc1cccc(NC(=O)C[N@H+](C)CCN2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000738330038 1075982598 /nfs/dbraw/zinc/98/25/98/1075982598.db2.gz QVUTZIILTIJUQW-UHFFFAOYSA-N 1 2 406.527 2.118 20 0 HEADLO COc1cccc(NC(=O)C[N@@H+](C)CCN2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000738330038 1075982600 /nfs/dbraw/zinc/98/26/00/1075982600.db2.gz QVUTZIILTIJUQW-UHFFFAOYSA-N 1 2 406.527 2.118 20 0 HEADLO Nc1cc(F)cc(C(=O)OCC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)c1F ZINC000738726991 1076013411 /nfs/dbraw/zinc/01/34/11/1076013411.db2.gz XBHXPRBSCBICKA-UHFFFAOYSA-N 1 2 405.401 2.175 20 0 HEADLO CCOC(=O)Cc1cccc(NC(=O)C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000739083970 1076041663 /nfs/dbraw/zinc/04/16/63/1076041663.db2.gz XZMDYXNTKGETTA-UHFFFAOYSA-N 1 2 406.442 2.233 20 0 HEADLO OC[C@@H]1CCCN(c2cc(NC[C@@H](O)c3cc(Cl)c4c(c3)OCCO4)[nH+]cn2)C1 ZINC000739900505 1076086137 /nfs/dbraw/zinc/08/61/37/1076086137.db2.gz DCLZYPSOAOJOBP-CZUORRHYSA-N 1 2 420.897 2.255 20 0 HEADLO OC[C@@H]1CCCN(c2cc(NC[C@@H](O)c3cc(Cl)c4c(c3)OCCO4)nc[nH+]2)C1 ZINC000739900505 1076086142 /nfs/dbraw/zinc/08/61/42/1076086142.db2.gz DCLZYPSOAOJOBP-CZUORRHYSA-N 1 2 420.897 2.255 20 0 HEADLO O=C(CCCc1nc(C2CC2)no1)OCC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000740301686 1076140092 /nfs/dbraw/zinc/14/00/92/1076140092.db2.gz FJUHINYOHADFCP-UHFFFAOYSA-N 1 2 418.519 2.219 20 0 HEADLO C[N@@H+]1CCO[C@H]([C@H](NC(=O)NCc2nc(C3CC3)no2)c2ccc(Cl)cc2)C1 ZINC000766252266 1076163142 /nfs/dbraw/zinc/16/31/42/1076163142.db2.gz ZYPSIDNCTUODPO-DOTOQJQBSA-N 1 2 405.886 2.472 20 0 HEADLO C[N@H+]1CCO[C@H]([C@H](NC(=O)NCc2nc(C3CC3)no2)c2ccc(Cl)cc2)C1 ZINC000766252266 1076163153 /nfs/dbraw/zinc/16/31/53/1076163153.db2.gz ZYPSIDNCTUODPO-DOTOQJQBSA-N 1 2 405.886 2.472 20 0 HEADLO CC(C)(C)OC(=O)Nc1cccc(C(=O)N2CC[NH+](CCn3cncn3)CC2)c1 ZINC000740738945 1076214221 /nfs/dbraw/zinc/21/42/21/1076214221.db2.gz QBGHCXBSUNYLOX-UHFFFAOYSA-N 1 2 400.483 2.083 20 0 HEADLO C[C@@H]1C[N@H+](CN2C(=O)C(=O)N(C3CCCCC3)C2=O)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000740857180 1076269606 /nfs/dbraw/zinc/26/96/06/1076269606.db2.gz YPZYUHLVXYYNMU-ZBFHGGJFSA-N 1 2 422.526 2.303 20 0 HEADLO C[C@@H]1C[N@@H+](CN2C(=O)C(=O)N(C3CCCCC3)C2=O)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000740857180 1076269612 /nfs/dbraw/zinc/26/96/12/1076269612.db2.gz YPZYUHLVXYYNMU-ZBFHGGJFSA-N 1 2 422.526 2.303 20 0 HEADLO CCC[N@H+](CN1c2cc3c(cc2C(=O)C1=O)OCCO3)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000740857077 1076269659 /nfs/dbraw/zinc/26/96/59/1076269659.db2.gz BAEIGGIFOITLHD-CJMONDIMSA-N 1 2 400.475 2.470 20 0 HEADLO CCC[N@@H+](CN1c2cc3c(cc2C(=O)C1=O)OCCO3)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000740857077 1076269666 /nfs/dbraw/zinc/26/96/66/1076269666.db2.gz BAEIGGIFOITLHD-CJMONDIMSA-N 1 2 400.475 2.470 20 0 HEADLO C[C@H]1C[N@H+](CC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000740883508 1076282398 /nfs/dbraw/zinc/28/23/98/1076282398.db2.gz QXTNTHIWBFNWCK-GXTWGEPZSA-N 1 2 403.483 2.442 20 0 HEADLO C[C@H]1C[N@@H+](CC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000740883508 1076282402 /nfs/dbraw/zinc/28/24/02/1076282402.db2.gz QXTNTHIWBFNWCK-GXTWGEPZSA-N 1 2 403.483 2.442 20 0 HEADLO C[C@@H](C(=O)NC[C@H](O)c1c(F)cccc1F)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000740935901 1076315109 /nfs/dbraw/zinc/31/51/09/1076315109.db2.gz QIHOWENKBIINQS-LIRRHRJNSA-N 1 2 407.436 2.464 20 0 HEADLO C[C@@H](c1cccc(NC(=O)C(=O)NC[C@@](C)(O)c2ccsc2)c1)[NH+]1CCOCC1 ZINC000741106978 1076360228 /nfs/dbraw/zinc/36/02/28/1076360228.db2.gz CNKSVCOQJQCUKW-YCRPNKLZSA-N 1 2 417.531 2.104 20 0 HEADLO Cc1cc(NC(=O)C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)ccc1C(=O)N(C)C ZINC000741096174 1076367763 /nfs/dbraw/zinc/36/77/63/1076367763.db2.gz RZAPEYSZFKELQS-UHFFFAOYSA-N 1 2 405.458 2.137 20 0 HEADLO C[N@@H+]1CCCC[C@@H]1C(=O)OCC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1 ZINC000741144725 1076391539 /nfs/dbraw/zinc/39/15/39/1076391539.db2.gz AOWRGGVGDZNVGL-OAHLLOKOSA-N 1 2 411.384 2.252 20 0 HEADLO C[N@H+]1CCCC[C@@H]1C(=O)OCC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1 ZINC000741144725 1076391544 /nfs/dbraw/zinc/39/15/44/1076391544.db2.gz AOWRGGVGDZNVGL-OAHLLOKOSA-N 1 2 411.384 2.252 20 0 HEADLO CCCn1c(COC(=O)[C@H]2CCCC[N@@H+]2C)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000741145589 1076391756 /nfs/dbraw/zinc/39/17/56/1076391756.db2.gz XFXSINUOWRPLST-GOSISDBHSA-N 1 2 422.551 2.224 20 0 HEADLO CCCn1c(COC(=O)[C@H]2CCCC[N@H+]2C)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000741145589 1076391761 /nfs/dbraw/zinc/39/17/61/1076391761.db2.gz XFXSINUOWRPLST-GOSISDBHSA-N 1 2 422.551 2.224 20 0 HEADLO CC[N@@H+]1CCCC[C@@H]1C(=O)OCC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000741149062 1076392898 /nfs/dbraw/zinc/39/28/98/1076392898.db2.gz MZGUQVNHBQFFSH-CQSZACIVSA-N 1 2 404.435 2.039 20 0 HEADLO CC[N@H+]1CCCC[C@@H]1C(=O)OCC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000741149062 1076392901 /nfs/dbraw/zinc/39/29/01/1076392901.db2.gz MZGUQVNHBQFFSH-CQSZACIVSA-N 1 2 404.435 2.039 20 0 HEADLO C[C@@H](NC(=O)c1cnn(-c2ccc(F)cc2)n1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000741204356 1076418226 /nfs/dbraw/zinc/41/82/26/1076418226.db2.gz NEFHPWFXEJMUSX-IERDGZPVSA-N 1 2 409.465 2.426 20 0 HEADLO C[C@@H](NC(=O)c1cnn(-c2ccc(F)cc2)n1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000741204356 1076418229 /nfs/dbraw/zinc/41/82/29/1076418229.db2.gz NEFHPWFXEJMUSX-IERDGZPVSA-N 1 2 409.465 2.426 20 0 HEADLO O=C(NC[C@@H](O)c1c(F)cccc1Cl)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000741272954 1076439186 /nfs/dbraw/zinc/43/91/86/1076439186.db2.gz TVOWUSJGAYLJHX-QAPCUYQASA-N 1 2 417.934 2.020 20 0 HEADLO O=C(COC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)NCCc1ccc(F)cc1 ZINC000741358179 1076483012 /nfs/dbraw/zinc/48/30/12/1076483012.db2.gz XMMUMKHUWYRFAR-OAQYLSRUSA-N 1 2 414.477 2.319 20 0 HEADLO O=C(COC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)NCCc1ccc(F)cc1 ZINC000741358179 1076483023 /nfs/dbraw/zinc/48/30/23/1076483023.db2.gz XMMUMKHUWYRFAR-OAQYLSRUSA-N 1 2 414.477 2.319 20 0 HEADLO CCOC(=O)[C@H]1CCCN(C(=O)COC(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC000741350186 1076491153 /nfs/dbraw/zinc/49/11/53/1076491153.db2.gz HSJIDSADBDQDQG-VQTJNVASSA-N 1 2 416.518 2.386 20 0 HEADLO CCOC(=O)[C@H]1CCCN(C(=O)COC(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC000741350186 1076491158 /nfs/dbraw/zinc/49/11/58/1076491158.db2.gz HSJIDSADBDQDQG-VQTJNVASSA-N 1 2 416.518 2.386 20 0 HEADLO CCOC(=O)[C@H]1CCCN(C(=O)COC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC000741350178 1076491187 /nfs/dbraw/zinc/49/11/87/1076491187.db2.gz HSJIDSADBDQDQG-PMACEKPBSA-N 1 2 416.518 2.386 20 0 HEADLO CCOC(=O)[C@H]1CCCN(C(=O)COC(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC000741350178 1076491190 /nfs/dbraw/zinc/49/11/90/1076491190.db2.gz HSJIDSADBDQDQG-PMACEKPBSA-N 1 2 416.518 2.386 20 0 HEADLO Cc1csc2nc(COC(=O)C[C@H]3C[N@H+](Cc4ccccc4)CCO3)cc(=O)n12 ZINC000741356936 1076494648 /nfs/dbraw/zinc/49/46/48/1076494648.db2.gz SDTJLADXARFMSL-SFHVURJKSA-N 1 2 413.499 2.399 20 0 HEADLO Cc1csc2nc(COC(=O)C[C@H]3C[N@@H+](Cc4ccccc4)CCO3)cc(=O)n12 ZINC000741356936 1076494655 /nfs/dbraw/zinc/49/46/55/1076494655.db2.gz SDTJLADXARFMSL-SFHVURJKSA-N 1 2 413.499 2.399 20 0 HEADLO O=C(COC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1)NCC1(c2ccccc2)CC1 ZINC000741386883 1076495153 /nfs/dbraw/zinc/49/51/53/1076495153.db2.gz WVOAXMWHEKQWCA-NRFANRHFSA-N 1 2 408.498 2.279 20 0 HEADLO O=C(COC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)NCC1(c2ccccc2)CC1 ZINC000741386883 1076495155 /nfs/dbraw/zinc/49/51/55/1076495155.db2.gz WVOAXMWHEKQWCA-NRFANRHFSA-N 1 2 408.498 2.279 20 0 HEADLO COc1ccc(NC(=O)COC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c(OC)c1 ZINC000741386447 1076495590 /nfs/dbraw/zinc/49/55/90/1076495590.db2.gz JUEZCUBZWVLXOI-FQEVSTJZSA-N 1 2 414.458 2.087 20 0 HEADLO COc1ccc(NC(=O)COC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c(OC)c1 ZINC000741386447 1076495594 /nfs/dbraw/zinc/49/55/94/1076495594.db2.gz JUEZCUBZWVLXOI-FQEVSTJZSA-N 1 2 414.458 2.087 20 0 HEADLO O=C(COC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1)N[C@H]1CCOc2ccccc21 ZINC000741376772 1076504028 /nfs/dbraw/zinc/50/40/28/1076504028.db2.gz FLWYTJPNPRPYPZ-PZJWPPBQSA-N 1 2 410.470 2.071 20 0 HEADLO O=C(COC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1)N[C@H]1CCOc2ccccc21 ZINC000741376772 1076504029 /nfs/dbraw/zinc/50/40/29/1076504029.db2.gz FLWYTJPNPRPYPZ-PZJWPPBQSA-N 1 2 410.470 2.071 20 0 HEADLO C[C@H](OC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1)C(=O)NCCc1ccc(F)cc1 ZINC000741384066 1076507398 /nfs/dbraw/zinc/50/73/98/1076507398.db2.gz BKMGSAAATQQODY-LAUBAEHRSA-N 1 2 414.477 2.317 20 0 HEADLO C[C@H](OC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1)C(=O)NCCc1ccc(F)cc1 ZINC000741384066 1076507399 /nfs/dbraw/zinc/50/73/99/1076507399.db2.gz BKMGSAAATQQODY-LAUBAEHRSA-N 1 2 414.477 2.317 20 0 HEADLO CC(=O)Nc1ccc(NC(=O)COC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)cc1 ZINC000741383649 1076507724 /nfs/dbraw/zinc/50/77/24/1076507724.db2.gz VEDYUOCQASRSLD-HXUWFJFHSA-N 1 2 411.458 2.028 20 0 HEADLO CC(=O)Nc1ccc(NC(=O)COC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1 ZINC000741383649 1076507732 /nfs/dbraw/zinc/50/77/32/1076507732.db2.gz VEDYUOCQASRSLD-HXUWFJFHSA-N 1 2 411.458 2.028 20 0 HEADLO O=C(COC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000741386151 1076509019 /nfs/dbraw/zinc/50/90/19/1076509019.db2.gz VFGZPEHLTKICTR-SJORKVTESA-N 1 2 414.424 2.232 20 0 HEADLO O=C(COC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000741386151 1076509024 /nfs/dbraw/zinc/50/90/24/1076509024.db2.gz VFGZPEHLTKICTR-SJORKVTESA-N 1 2 414.424 2.232 20 0 HEADLO CCOC(=O)[C@@H]1CN(C(=O)Nc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)CCO1 ZINC000741394098 1076519676 /nfs/dbraw/zinc/51/96/76/1076519676.db2.gz VQPUEQDRZFEUCL-MDZRGWNJSA-N 1 2 405.495 2.092 20 0 HEADLO O=C(NCC[S@](=O)Cc1ccccc1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000741420714 1076533560 /nfs/dbraw/zinc/53/35/60/1076533560.db2.gz PLRVNGOYVFBCHQ-NDEPHWFRSA-N 1 2 407.580 2.270 20 0 HEADLO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C1 ZINC000741560570 1076544035 /nfs/dbraw/zinc/54/40/35/1076544035.db2.gz DHTSNNHCBMFKGY-IAGOWNOFSA-N 1 2 421.542 2.237 20 0 HEADLO CCN1C[C@@H](C[N@H+](C)[C@@H](C)C(=O)Nc2sccc2C(N)=O)Oc2ccccc21 ZINC000741614678 1076555803 /nfs/dbraw/zinc/55/58/03/1076555803.db2.gz FZMUGYVOGUMPTE-UONOGXRCSA-N 1 2 402.520 2.393 20 0 HEADLO CCN1C[C@@H](C[N@@H+](C)[C@@H](C)C(=O)Nc2sccc2C(N)=O)Oc2ccccc21 ZINC000741614678 1076555810 /nfs/dbraw/zinc/55/58/10/1076555810.db2.gz FZMUGYVOGUMPTE-UONOGXRCSA-N 1 2 402.520 2.393 20 0 HEADLO O=C1O[C@H](C[N@@H+]2CCCN(S(=O)(=O)c3ccccc3)CC2)CN1c1ccccc1 ZINC000741785217 1076626093 /nfs/dbraw/zinc/62/60/93/1076626093.db2.gz XGEJURVZMRSYIT-LJQANCHMSA-N 1 2 415.515 2.408 20 0 HEADLO O=C1O[C@H](C[N@H+]2CCCN(S(=O)(=O)c3ccccc3)CC2)CN1c1ccccc1 ZINC000741785217 1076626098 /nfs/dbraw/zinc/62/60/98/1076626098.db2.gz XGEJURVZMRSYIT-LJQANCHMSA-N 1 2 415.515 2.408 20 0 HEADLO C[C@@H](c1cccnc1)[NH+]1CCN(CC(=O)Nc2sc3c(c2C(N)=O)CCC3)CC1 ZINC000741789198 1076628200 /nfs/dbraw/zinc/62/82/00/1076628200.db2.gz XGLHMAPBSMHHOP-AWEZNQCLSA-N 1 2 413.547 2.048 20 0 HEADLO COc1cccc(OC)c1OC[C@@H](O)C[N@@H+]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000741800064 1076641104 /nfs/dbraw/zinc/64/11/04/1076641104.db2.gz VPDZPTGILAKFPQ-CVEARBPZSA-N 1 2 410.511 2.385 20 0 HEADLO COc1cccc(OC)c1OC[C@@H](O)C[N@H+]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000741800064 1076641109 /nfs/dbraw/zinc/64/11/09/1076641109.db2.gz VPDZPTGILAKFPQ-CVEARBPZSA-N 1 2 410.511 2.385 20 0 HEADLO CN(C)c1ccc([NH+]2CCC(NC(=O)Cn3cnc4sccc4c3=O)CC2)cc1 ZINC000741982094 1076702965 /nfs/dbraw/zinc/70/29/65/1076702965.db2.gz IRKQYNUGDLQVOC-UHFFFAOYSA-N 1 2 411.531 2.309 20 0 HEADLO CCC1(O)CC[NH+](CN2C(=O)N[C@@](C)(c3ccccc3Br)C2=O)CC1 ZINC000742174876 1076764375 /nfs/dbraw/zinc/76/43/75/1076764375.db2.gz DECWCXATKJOFTN-KRWDZBQOSA-N 1 2 410.312 2.411 20 0 HEADLO C[C@@H]1Cc2cc(C(=O)N3CCC([N@H+](C)CC(F)F)CC3)ccc2N1S(C)(=O)=O ZINC000742237774 1076803326 /nfs/dbraw/zinc/80/33/26/1076803326.db2.gz OUXVZHYHGOZCTG-CYBMUJFWSA-N 1 2 415.506 2.199 20 0 HEADLO C[C@@H]1Cc2cc(C(=O)N3CCC([N@@H+](C)CC(F)F)CC3)ccc2N1S(C)(=O)=O ZINC000742237774 1076803327 /nfs/dbraw/zinc/80/33/27/1076803327.db2.gz OUXVZHYHGOZCTG-CYBMUJFWSA-N 1 2 415.506 2.199 20 0 HEADLO C[N@H+](CC(F)F)C1CCN(C(=O)c2ccc(N3CCCS3(=O)=O)cc2)CC1 ZINC000742239118 1076803808 /nfs/dbraw/zinc/80/38/08/1076803808.db2.gz PECCYEAZWVCFLC-UHFFFAOYSA-N 1 2 401.479 2.028 20 0 HEADLO C[N@@H+](CC(F)F)C1CCN(C(=O)c2ccc(N3CCCS3(=O)=O)cc2)CC1 ZINC000742239118 1076803809 /nfs/dbraw/zinc/80/38/09/1076803809.db2.gz PECCYEAZWVCFLC-UHFFFAOYSA-N 1 2 401.479 2.028 20 0 HEADLO CC(C)NS(=O)(=O)c1ccc(C(=O)N2CCC([N@H+](C)CC(F)F)CC2)cc1 ZINC000742238331 1076803898 /nfs/dbraw/zinc/80/38/98/1076803898.db2.gz VJFGTLRIEAWTDC-UHFFFAOYSA-N 1 2 403.495 2.175 20 0 HEADLO CC(C)NS(=O)(=O)c1ccc(C(=O)N2CCC([N@@H+](C)CC(F)F)CC2)cc1 ZINC000742238331 1076803899 /nfs/dbraw/zinc/80/38/99/1076803899.db2.gz VJFGTLRIEAWTDC-UHFFFAOYSA-N 1 2 403.495 2.175 20 0 HEADLO CCOC(=O)N1CCC(S(=O)(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)CC1 ZINC000742271147 1076807278 /nfs/dbraw/zinc/80/72/78/1076807278.db2.gz SGANMDNXKCTMCA-KRWDZBQOSA-N 1 2 417.959 2.483 20 0 HEADLO COC(=O)CN(CC[NH+]1CCOCC1)Cn1nc(-c2cc(C)cc(C)c2)oc1=S ZINC000742255457 1076810428 /nfs/dbraw/zinc/81/04/28/1076810428.db2.gz VAOPCZWVQKYSQB-UHFFFAOYSA-N 1 2 420.535 2.254 20 0 HEADLO C[C@H](c1cccnc1)N1C(=O)C[C@H]([N@@H+]2CCc3c(cccc3N3CCOC3=O)C2)C1=O ZINC000742267208 1076811572 /nfs/dbraw/zinc/81/15/72/1076811572.db2.gz YHAWMLWUBAQSMR-QRWLVFNGSA-N 1 2 420.469 2.285 20 0 HEADLO C[C@H](c1cccnc1)N1C(=O)C[C@H]([N@H+]2CCc3c(cccc3N3CCOC3=O)C2)C1=O ZINC000742267208 1076811573 /nfs/dbraw/zinc/81/15/73/1076811573.db2.gz YHAWMLWUBAQSMR-QRWLVFNGSA-N 1 2 420.469 2.285 20 0 HEADLO Cc1cc(C)n(Cc2cccc(C(N)=[NH+]O[C@H]3CCCN(c4ccn(C)n4)C3=O)c2)n1 ZINC000742356600 1076830146 /nfs/dbraw/zinc/83/01/46/1076830146.db2.gz GESJZBOWEHJUMG-IBGZPJMESA-N 1 2 421.505 2.324 20 0 HEADLO CCC1CCC2(CC1)NC(=O)N(CN1CC[NH+](Cc3c(C)noc3C)CC1)C2=O ZINC000742549976 1076851108 /nfs/dbraw/zinc/85/11/08/1076851108.db2.gz JBNQNGNWOCBLSH-UHFFFAOYSA-N 1 2 403.527 2.257 20 0 HEADLO C[C@@H]1C[NH+](C[C@@H]2CCCN2S(=O)(=O)c2ccc3oc(=O)ccc3c2)C[C@@H](C)O1 ZINC000742632687 1076859493 /nfs/dbraw/zinc/85/94/93/1076859493.db2.gz KAOLKVQDWTXWAB-INMHGKMJSA-N 1 2 406.504 2.055 20 0 HEADLO c1ccc(-n2nnnc2C[NH2+]Cc2cc3ccccc3nc2N2CCOCC2)cc1 ZINC000742717671 1076874385 /nfs/dbraw/zinc/87/43/85/1076874385.db2.gz MERXQVVRGDFSHC-UHFFFAOYSA-N 1 2 401.474 2.337 20 0 HEADLO O=C(c1nc(NCc2ccco2)ncc1Cl)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000742763605 1076874883 /nfs/dbraw/zinc/87/48/83/1076874883.db2.gz WDRMQJXDIMQJRW-AWEZNQCLSA-N 1 2 405.886 2.272 20 0 HEADLO C[C@H]1NC(C(=O)N[C@@H](Cc2[nH+]ccn2C)c2ccccc2)=NN(c2ccccc2)C1=O ZINC000742859107 1076889593 /nfs/dbraw/zinc/88/95/93/1076889593.db2.gz TYECYDKDVCAXJT-APWZRJJASA-N 1 2 416.485 2.159 20 0 HEADLO C[C@@H]1CN(c2ccc(NC(=O)Nc3cnn(CC[NH+]4CCOCC4)c3)cc2)CCO1 ZINC000743178690 1076991222 /nfs/dbraw/zinc/99/12/22/1076991222.db2.gz ZHHBDVYIAMKTKB-QGZVFWFLSA-N 1 2 414.510 2.084 20 0 HEADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)Nc1ccc(N2CCSCC2)cc1 ZINC000743187729 1077002227 /nfs/dbraw/zinc/00/22/27/1077002227.db2.gz ZXYVKBXQOHODIQ-UHFFFAOYSA-N 1 2 416.551 2.413 20 0 HEADLO Cc1ccccc1[C@@]1(C)NC(=O)N(C[NH+]2CCC(c3nnc4n3CCC4)CC2)C1=O ZINC000743354016 1077030822 /nfs/dbraw/zinc/03/08/22/1077030822.db2.gz JSLWJSZMEPQBRT-JOCHJYFZSA-N 1 2 408.506 2.137 20 0 HEADLO CO[C@@H]1CCC[N@H+](CN2C(=O)N[C@@]3(CCCC[C@@H]3CNC(=O)OC(C)(C)C)C2=O)C1 ZINC000743361304 1077032273 /nfs/dbraw/zinc/03/22/73/1077032273.db2.gz MMQJGLIVJSQWGM-WHSLLNHNSA-N 1 2 424.542 2.060 20 0 HEADLO CO[C@@H]1CCC[N@@H+](CN2C(=O)N[C@@]3(CCCC[C@@H]3CNC(=O)OC(C)(C)C)C2=O)C1 ZINC000743361304 1077032278 /nfs/dbraw/zinc/03/22/78/1077032278.db2.gz MMQJGLIVJSQWGM-WHSLLNHNSA-N 1 2 424.542 2.060 20 0 HEADLO COC1CC[NH+](CN2C(=O)N[C@@]3(CCCC[C@H]3CNC(=O)OC(C)(C)C)C2=O)CC1 ZINC000743348224 1077036094 /nfs/dbraw/zinc/03/60/94/1077036094.db2.gz IBIBOCKWOCFGSV-YCRPNKLZSA-N 1 2 424.542 2.060 20 0 HEADLO CC(=O)Nc1cc(NC(=O)C(=O)NCC[N@@H+]2CCc3sccc3C2)c(F)cc1F ZINC000743395420 1077041601 /nfs/dbraw/zinc/04/16/01/1077041601.db2.gz NVCLOFIBKNCQDX-UHFFFAOYSA-N 1 2 422.457 2.098 20 0 HEADLO CC(=O)Nc1cc(NC(=O)C(=O)NCC[N@H+]2CCc3sccc3C2)c(F)cc1F ZINC000743395420 1077041607 /nfs/dbraw/zinc/04/16/07/1077041607.db2.gz NVCLOFIBKNCQDX-UHFFFAOYSA-N 1 2 422.457 2.098 20 0 HEADLO CC[C@]1(c2ccc(Cl)cc2)NC(=O)N(C[N@@H+]2CCC[C@H]2CN2CCOCC2)C1=O ZINC000743376686 1077044439 /nfs/dbraw/zinc/04/44/39/1077044439.db2.gz ZHJYAOLJRUSGDL-GHTZIAJQSA-N 1 2 420.941 2.251 20 0 HEADLO CC[C@]1(c2ccc(Cl)cc2)NC(=O)N(C[N@H+]2CCC[C@H]2CN2CCOCC2)C1=O ZINC000743376686 1077044446 /nfs/dbraw/zinc/04/44/46/1077044446.db2.gz ZHJYAOLJRUSGDL-GHTZIAJQSA-N 1 2 420.941 2.251 20 0 HEADLO CC[C@]1(c2ccc(Cl)cc2)NC(=O)N(CN2CCC[C@H]2C[NH+]2CCOCC2)C1=O ZINC000743376686 1077044450 /nfs/dbraw/zinc/04/44/50/1077044450.db2.gz ZHJYAOLJRUSGDL-GHTZIAJQSA-N 1 2 420.941 2.251 20 0 HEADLO C[C@H](CNC(=O)C[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C)[NH+]1CCN(C)CC1 ZINC000743442124 1077054934 /nfs/dbraw/zinc/05/49/34/1077054934.db2.gz VUSBHVLVJZYSOL-UYAOXDASSA-N 1 2 418.582 2.265 20 0 HEADLO Cc1ccc(N2CC[C@H](NC(=O)NCc3ccccc3C[NH+]3CCOCC3)C2=O)cc1 ZINC000743515354 1077061696 /nfs/dbraw/zinc/06/16/96/1077061696.db2.gz WFRZBQUNEUBGEV-QFIPXVFZSA-N 1 2 422.529 2.432 20 0 HEADLO C[C@H](C[NH+]1CCOCC1)NC(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC000743537477 1077070313 /nfs/dbraw/zinc/07/03/13/1077070313.db2.gz PWXFPVWSMHPETL-SJLPKXTDSA-N 1 2 406.527 2.272 20 0 HEADLO Cn1cc([C@@H](O)CNC(=O)N[C@@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)cn1 ZINC000743604168 1077074476 /nfs/dbraw/zinc/07/44/76/1077074476.db2.gz MHVOSTPHTFFTGE-AEFFLSMTSA-N 1 2 409.893 2.210 20 0 HEADLO Cn1cc([C@@H](O)CNC(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)cn1 ZINC000743604168 1077074483 /nfs/dbraw/zinc/07/44/83/1077074483.db2.gz MHVOSTPHTFFTGE-AEFFLSMTSA-N 1 2 409.893 2.210 20 0 HEADLO CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@H]1NC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000743622936 1077076723 /nfs/dbraw/zinc/07/67/23/1077076723.db2.gz SDZDPSNMHVTVCG-DLBZAZTESA-N 1 2 412.575 2.480 20 0 HEADLO CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@H]1NC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000743622936 1077076729 /nfs/dbraw/zinc/07/67/29/1077076729.db2.gz SDZDPSNMHVTVCG-DLBZAZTESA-N 1 2 412.575 2.480 20 0 HEADLO C[C@H]1C[C@@H](c2ccccc2F)N(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC000743603408 1077079238 /nfs/dbraw/zinc/07/92/38/1077079238.db2.gz ZTJLBVFQTYFNQJ-KXBFYZLASA-N 1 2 411.543 2.427 20 0 HEADLO CN(C)c1ccc([NH+]2CCC(NC(=O)NCCCOC[C@@H]3CCOC3)CC2)cc1 ZINC000743629390 1077083060 /nfs/dbraw/zinc/08/30/60/1077083060.db2.gz LRWBTMCWRIWAOC-SFHVURJKSA-N 1 2 404.555 2.464 20 0 HEADLO CC[NH+](CC)Cc1nc(C2(NC(=O)CSc3cccc[n+]3[O-])CCCC2)no1 ZINC000743892196 1077202804 /nfs/dbraw/zinc/20/28/04/1077202804.db2.gz JAIIMIMRCIALSY-UHFFFAOYSA-N 1 2 405.524 2.223 20 0 HEADLO O=C(C[C@@H]1OC(=O)c2ccccc21)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000743936600 1077225609 /nfs/dbraw/zinc/22/56/09/1077225609.db2.gz CYYHDUGGKMWDRP-NRFANRHFSA-N 1 2 410.470 2.316 20 0 HEADLO C[C@]1(C(=O)NCc2ccccc2OCC[NH+]2CCOCC2)Cc2ccccc2C(=O)O1 ZINC000743937527 1077228169 /nfs/dbraw/zinc/22/81/69/1077228169.db2.gz PVQVRUCEOVSURI-XMMPIXPASA-N 1 2 424.497 2.186 20 0 HEADLO O=C(/C=C\c1ccc2c(c1)OCO2)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000743937924 1077230252 /nfs/dbraw/zinc/23/02/52/1077230252.db2.gz ZERLRXNSHGPWKQ-VURMDHGXSA-N 1 2 410.470 2.456 20 0 HEADLO C[C@@]1(c2ccccc2F)NC(=O)N(CN2CC[NH+](Cc3ccsc3)CC2)C1=O ZINC000744130006 1077325966 /nfs/dbraw/zinc/32/59/66/1077325966.db2.gz FXNAKLZEHZIBPP-FQEVSTJZSA-N 1 2 402.495 2.430 20 0 HEADLO C[C@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)[NH+]1CCC(c2cc3ccccc3[nH]2)CC1 ZINC000744232869 1077346273 /nfs/dbraw/zinc/34/62/73/1077346273.db2.gz NVWVVXTYXSNMBF-CRAIPNDOSA-N 1 2 403.548 2.381 20 0 HEADLO CN(C)C(=O)c1cccc(NC(=O)C[N@@H+]2CCc3c(cccc3N3CCOC3=O)C2)c1 ZINC000744414243 1077377386 /nfs/dbraw/zinc/37/73/86/1077377386.db2.gz KUCJJZZSONCBMH-UHFFFAOYSA-N 1 2 422.485 2.342 20 0 HEADLO CN(C)C(=O)c1cccc(NC(=O)C[N@H+]2CCc3c(cccc3N3CCOC3=O)C2)c1 ZINC000744414243 1077377392 /nfs/dbraw/zinc/37/73/92/1077377392.db2.gz KUCJJZZSONCBMH-UHFFFAOYSA-N 1 2 422.485 2.342 20 0 HEADLO C[C@@H](C(=O)NC(=O)NCc1ccccc1)[N@@H+]1CCc2c(cccc2N2CCOC2=O)C1 ZINC000744412558 1077385142 /nfs/dbraw/zinc/38/51/42/1077385142.db2.gz RMYLBQLMTFXJEO-INIZCTEOSA-N 1 2 422.485 2.416 20 0 HEADLO C[C@@H](C(=O)NC(=O)NCc1ccccc1)[N@H+]1CCc2c(cccc2N2CCOC2=O)C1 ZINC000744412558 1077385151 /nfs/dbraw/zinc/38/51/51/1077385151.db2.gz RMYLBQLMTFXJEO-INIZCTEOSA-N 1 2 422.485 2.416 20 0 HEADLO CC(C)(C)OC(=O)N1CC2(C1)CC(=O)N(CN1CC[NH+](Cc3ccsc3)CC1)C2 ZINC000744432622 1077392798 /nfs/dbraw/zinc/39/27/98/1077392798.db2.gz XURXAZSZJAFCAM-UHFFFAOYSA-N 1 2 420.579 2.293 20 0 HEADLO CC[N@@H+]1CCCC[C@H]1C(=O)O[C@@H](C)C(=O)Nc1cc(C(=O)OC)cc(C(=O)OC)c1 ZINC000745086913 1077724242 /nfs/dbraw/zinc/72/42/42/1077724242.db2.gz PLFLERGMOQKASP-GUYCJALGSA-N 1 2 420.462 2.004 20 0 HEADLO CC[N@H+]1CCCC[C@H]1C(=O)O[C@@H](C)C(=O)Nc1cc(C(=O)OC)cc(C(=O)OC)c1 ZINC000745086913 1077724247 /nfs/dbraw/zinc/72/42/47/1077724247.db2.gz PLFLERGMOQKASP-GUYCJALGSA-N 1 2 420.462 2.004 20 0 HEADLO CC[N@@H+]1CCCC[C@H]1C(=O)O[C@H](C)C(=O)Nc1cc(C(=O)OC)ccc1C(=O)OC ZINC000745088798 1077724697 /nfs/dbraw/zinc/72/46/97/1077724697.db2.gz OYICHFIEMVKZAL-DYVFJYSZSA-N 1 2 420.462 2.004 20 0 HEADLO CC[N@H+]1CCCC[C@H]1C(=O)O[C@H](C)C(=O)Nc1cc(C(=O)OC)ccc1C(=O)OC ZINC000745088798 1077724704 /nfs/dbraw/zinc/72/47/04/1077724704.db2.gz OYICHFIEMVKZAL-DYVFJYSZSA-N 1 2 420.462 2.004 20 0 HEADLO C[C@H](OC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1)C(=O)NC(=O)NCC(F)(F)F ZINC000745103629 1077732344 /nfs/dbraw/zinc/73/23/44/1077732344.db2.gz GXFNQTMTIRLPNF-ZFWWWQNUSA-N 1 2 415.412 2.361 20 0 HEADLO C[C@H](OC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1)C(=O)NC(=O)NCC(F)(F)F ZINC000745103629 1077732348 /nfs/dbraw/zinc/73/23/48/1077732348.db2.gz GXFNQTMTIRLPNF-ZFWWWQNUSA-N 1 2 415.412 2.361 20 0 HEADLO C[C@H](OC(=O)[C@H]1CCCC[N@@H+]1C)C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21 ZINC000745080793 1077734411 /nfs/dbraw/zinc/73/44/11/1077734411.db2.gz UORXZVNWSOPAIL-XHDPSFHLSA-N 1 2 413.396 2.407 20 0 HEADLO C[C@H](OC(=O)[C@H]1CCCC[N@H+]1C)C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21 ZINC000745080793 1077734420 /nfs/dbraw/zinc/73/44/20/1077734420.db2.gz UORXZVNWSOPAIL-XHDPSFHLSA-N 1 2 413.396 2.407 20 0 HEADLO CN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)COC(=O)[C@H]1CCCC[N@@H+]1C ZINC000745080381 1077734480 /nfs/dbraw/zinc/73/44/80/1077734480.db2.gz ABFFFKSFNGCCFJ-OAHLLOKOSA-N 1 2 415.412 2.130 20 0 HEADLO CN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)COC(=O)[C@H]1CCCC[N@H+]1C ZINC000745080381 1077734497 /nfs/dbraw/zinc/73/44/97/1077734497.db2.gz ABFFFKSFNGCCFJ-OAHLLOKOSA-N 1 2 415.412 2.130 20 0 HEADLO COc1cccc([C@H](CNC(=O)NCCS(=O)(=O)C(C)(C)C)[NH+]2CCCC2)c1 ZINC000745301286 1077802414 /nfs/dbraw/zinc/80/24/14/1077802414.db2.gz AOQBACNLWYGGRN-SFHVURJKSA-N 1 2 411.568 2.345 20 0 HEADLO Cn1cc([C@H](O)C[C@H]2CCC[N@@H+]2CC(=O)N(Cc2ccco2)CC(F)(F)F)cn1 ZINC000766952674 1079517496 /nfs/dbraw/zinc/51/74/96/1079517496.db2.gz BPXDWEVBGAIQCV-NVXWUHKLSA-N 1 2 414.428 2.492 20 0 HEADLO Cn1cc([C@H](O)C[C@H]2CCC[N@H+]2CC(=O)N(Cc2ccco2)CC(F)(F)F)cn1 ZINC000766952674 1079517509 /nfs/dbraw/zinc/51/75/09/1079517509.db2.gz BPXDWEVBGAIQCV-NVXWUHKLSA-N 1 2 414.428 2.492 20 0 HEADLO COC(=O)[C@H](c1cc(OC)cc(OC)c1)[N@@H+]1CCC[C@H]1C[C@@H](O)c1cnn(C)c1 ZINC000766946692 1079534894 /nfs/dbraw/zinc/53/48/94/1079534894.db2.gz QUNNCJBHEWNMNQ-DBVUQKKJSA-N 1 2 403.479 2.240 20 0 HEADLO COC(=O)[C@H](c1cc(OC)cc(OC)c1)[N@H+]1CCC[C@H]1C[C@@H](O)c1cnn(C)c1 ZINC000766946692 1079534910 /nfs/dbraw/zinc/53/49/10/1079534910.db2.gz QUNNCJBHEWNMNQ-DBVUQKKJSA-N 1 2 403.479 2.240 20 0 HEADLO COc1cc2nc(C[N@@H+]3CCC[C@H]3C[C@H](O)c3cnn(C)c3)[nH]c(=O)c2cc1OC ZINC000766947263 1079538074 /nfs/dbraw/zinc/53/80/74/1079538074.db2.gz SCSYRMYTYXZOAR-YOEHRIQHSA-N 1 2 413.478 2.174 20 0 HEADLO COc1cc2nc(C[N@H+]3CCC[C@H]3C[C@H](O)c3cnn(C)c3)[nH]c(=O)c2cc1OC ZINC000766947263 1079538093 /nfs/dbraw/zinc/53/80/93/1079538093.db2.gz SCSYRMYTYXZOAR-YOEHRIQHSA-N 1 2 413.478 2.174 20 0 HEADLO COC(=O)Nc1ccc(CNC(=O)C[NH+]2CCC([C@H](O)C(F)(F)F)CC2)cc1 ZINC000767019088 1079592818 /nfs/dbraw/zinc/59/28/18/1079592818.db2.gz FHNDWDDERMNWJE-INIZCTEOSA-N 1 2 403.401 2.116 20 0 HEADLO Cc1ncc(CCNC(=O)NCc2cccc(OCC[NH+]3CCOCC3)c2)s1 ZINC000771955067 1079601707 /nfs/dbraw/zinc/60/17/07/1079601707.db2.gz HSSLPHUXPDHFCP-UHFFFAOYSA-N 1 2 404.536 2.204 20 0 HEADLO COC(=O)C[C@]1([NH2+]Cc2nnc(-c3ccc(Br)s3)o2)CCOC1 ZINC000767029532 1079614333 /nfs/dbraw/zinc/61/43/33/1079614333.db2.gz GQDWFPAULFVOEE-CQSZACIVSA-N 1 2 402.270 2.372 20 0 HEADLO C[C@@H](CS(=O)(=O)c1ccc(Br)cc1)C(=O)OCCn1cc[nH+]c1 ZINC000771990950 1079637665 /nfs/dbraw/zinc/63/76/65/1079637665.db2.gz AHUUMXDPNNZGNQ-LBPRGKRZSA-N 1 2 401.282 2.299 20 0 HEADLO C[C@@H]1CN(c2ccc(NC(=O)COC(=O)C[N@H+](C)[C@@H]3CCSC3)cc2)C[C@H](C)O1 ZINC000767111878 1079665229 /nfs/dbraw/zinc/66/52/29/1079665229.db2.gz MWISJZDSLRHJAG-JTDSTZFVSA-N 1 2 421.563 2.219 20 0 HEADLO C[C@@H]1CN(c2ccc(NC(=O)COC(=O)C[N@@H+](C)[C@@H]3CCSC3)cc2)C[C@H](C)O1 ZINC000767111878 1079665250 /nfs/dbraw/zinc/66/52/50/1079665250.db2.gz MWISJZDSLRHJAG-JTDSTZFVSA-N 1 2 421.563 2.219 20 0 HEADLO C[N@H+](CC(=O)OCC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2)[C@H]1CCSC1 ZINC000772045993 1079667646 /nfs/dbraw/zinc/66/76/46/1079667646.db2.gz FGGXVORRFKDIMJ-IRXDYDNUSA-N 1 2 420.531 2.102 20 0 HEADLO C[N@@H+](CC(=O)OCC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2)[C@H]1CCSC1 ZINC000772045993 1079667655 /nfs/dbraw/zinc/66/76/55/1079667655.db2.gz FGGXVORRFKDIMJ-IRXDYDNUSA-N 1 2 420.531 2.102 20 0 HEADLO O=C(NCCS(=O)(=O)NCc1cc[nH+]c(N2CCCC2)c1)OCc1ccccc1 ZINC000767083416 1079668511 /nfs/dbraw/zinc/66/85/11/1079668511.db2.gz JEXNEUOBBVEIGT-UHFFFAOYSA-N 1 2 418.519 2.028 20 0 HEADLO COc1ccc([C@@H]2CCCN2C(=O)COC(=O)C[N@H+](C)[C@@H]2CCSC2)c(OC)c1 ZINC000767116898 1079683559 /nfs/dbraw/zinc/68/35/59/1079683559.db2.gz OANNSSQWPKOPAO-QAPCUYQASA-N 1 2 422.547 2.348 20 0 HEADLO COc1ccc([C@@H]2CCCN2C(=O)COC(=O)C[N@@H+](C)[C@@H]2CCSC2)c(OC)c1 ZINC000767116898 1079683575 /nfs/dbraw/zinc/68/35/75/1079683575.db2.gz OANNSSQWPKOPAO-QAPCUYQASA-N 1 2 422.547 2.348 20 0 HEADLO CCOC(=O)c1cc(C)sc1NC(=O)COC(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000767118988 1079687626 /nfs/dbraw/zinc/68/76/26/1079687626.db2.gz XPNOBFSMLQILNL-LBPRGKRZSA-N 1 2 400.522 2.152 20 0 HEADLO CCOC(=O)c1cc(C)sc1NC(=O)COC(=O)C[N@@H+](C)[C@H]1CCSC1 ZINC000767118988 1079687627 /nfs/dbraw/zinc/68/76/27/1079687627.db2.gz XPNOBFSMLQILNL-LBPRGKRZSA-N 1 2 400.522 2.152 20 0 HEADLO CCC[C@H]1CN(C(=O)CCn2c(=O)c3ccccc3[nH]c2=S)CC[N@@H+]1CCOC ZINC000767123142 1079691144 /nfs/dbraw/zinc/69/11/44/1079691144.db2.gz LVIDHYUJYPVRLX-INIZCTEOSA-N 1 2 418.563 2.035 20 0 HEADLO CCC[C@H]1CN(C(=O)CCn2c(=O)c3ccccc3[nH]c2=S)CC[N@H+]1CCOC ZINC000767123142 1079691149 /nfs/dbraw/zinc/69/11/49/1079691149.db2.gz LVIDHYUJYPVRLX-INIZCTEOSA-N 1 2 418.563 2.035 20 0 HEADLO COC(=O)c1c(C)c(C)sc1NC(=O)COC(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000772062534 1079704487 /nfs/dbraw/zinc/70/44/87/1079704487.db2.gz RDXOLPPUYHVGDM-GFCCVEGCSA-N 1 2 400.522 2.071 20 0 HEADLO COC(=O)c1c(C)c(C)sc1NC(=O)COC(=O)C[N@@H+](C)[C@@H]1CCSC1 ZINC000772062534 1079704495 /nfs/dbraw/zinc/70/44/95/1079704495.db2.gz RDXOLPPUYHVGDM-GFCCVEGCSA-N 1 2 400.522 2.071 20 0 HEADLO CC1CCC2(CC1)NC(=O)N(NC(=O)C[N@H+](CCC(F)(F)F)CC1CC1)C2=O ZINC000752356516 1079729667 /nfs/dbraw/zinc/72/96/67/1079729667.db2.gz ZPETYIBEMJBWOQ-UHFFFAOYSA-N 1 2 404.433 2.183 20 0 HEADLO CC1CCC2(CC1)NC(=O)N(NC(=O)C[N@@H+](CCC(F)(F)F)CC1CC1)C2=O ZINC000752356516 1079729676 /nfs/dbraw/zinc/72/96/76/1079729676.db2.gz ZPETYIBEMJBWOQ-UHFFFAOYSA-N 1 2 404.433 2.183 20 0 HEADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)NCc2ccc(OC(F)F)cn2)CC1 ZINC000772223326 1079748093 /nfs/dbraw/zinc/74/80/93/1079748093.db2.gz FRNQFEDJBQSLFX-UHFFFAOYSA-N 1 2 419.432 2.392 20 0 HEADLO O=C(CCS(=O)(=O)N1CC[NH+](CCc2cccs2)CC1)OCc1ccccc1 ZINC000767238811 1079758084 /nfs/dbraw/zinc/75/80/84/1079758084.db2.gz ARAMOFSUNDPYKV-UHFFFAOYSA-N 1 2 422.572 2.372 20 0 HEADLO Cc1cccn2cc(CCNS(=O)(=O)CCC(=O)OCc3ccccc3)[nH+]c12 ZINC000767290263 1079793323 /nfs/dbraw/zinc/79/33/23/1079793323.db2.gz GHWVQSBOEZOLMS-UHFFFAOYSA-N 1 2 401.488 2.238 20 0 HEADLO COC(=O)/C=C/c1ccc(OCC[NH+]2CCN(C(=O)c3cccc(O)c3)CC2)cc1 ZINC000767332257 1079808900 /nfs/dbraw/zinc/80/89/00/1079808900.db2.gz OFKUEEJMQUMIGG-JXMROGBWSA-N 1 2 410.470 2.415 20 0 HEADLO COC(=O)/C=C/c1ccc(OCC[NH+]2CCN(C(=O)c3ccccc3O)CC2)cc1 ZINC000767329792 1079821902 /nfs/dbraw/zinc/82/19/02/1079821902.db2.gz GRHGYOVSBZISKA-DHZHZOJOSA-N 1 2 410.470 2.415 20 0 HEADLO C[C@H](C(=O)Nc1ccc(F)c(F)c1)[NH+]1CCC(Oc2ccnc(C(N)=O)c2)CC1 ZINC000772336677 1079829799 /nfs/dbraw/zinc/82/97/99/1079829799.db2.gz SPQVNCROJPDIJE-GFCCVEGCSA-N 1 2 404.417 2.329 20 0 HEADLO Cc1cc(C(=O)N2CC[NH+](CCn3cncn3)CC2)ccc1NC(=O)OC(C)(C)C ZINC000772470613 1079892912 /nfs/dbraw/zinc/89/29/12/1079892912.db2.gz PDMLJVDAHGZRIA-UHFFFAOYSA-N 1 2 414.510 2.392 20 0 HEADLO O=C(Nc1ccccc1F)N1CCC[C@H](C(=O)OCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000767490768 1079907743 /nfs/dbraw/zinc/90/77/43/1079907743.db2.gz OEKDYXXDJNNTDV-YESZJQIVSA-N 1 2 405.470 2.476 20 0 HEADLO O=C(Nc1ccccc1F)N1CCC[C@H](C(=O)OCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000767490768 1079907750 /nfs/dbraw/zinc/90/77/50/1079907750.db2.gz OEKDYXXDJNNTDV-YESZJQIVSA-N 1 2 405.470 2.476 20 0 HEADLO O=C(OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)[C@H]1CCN(c2ccccc2Br)C1=O ZINC000767506719 1079910228 /nfs/dbraw/zinc/91/02/28/1079910228.db2.gz XVYRADKVQFFGKG-ZNMIVQPWSA-N 1 2 423.307 2.208 20 0 HEADLO O=C(OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)[C@H]1CCN(c2ccccc2Br)C1=O ZINC000767506719 1079910244 /nfs/dbraw/zinc/91/02/44/1079910244.db2.gz XVYRADKVQFFGKG-ZNMIVQPWSA-N 1 2 423.307 2.208 20 0 HEADLO CCOc1cc(NC2CC[NH+](CN3C(=O)C[C@](C)(c4ccccc4)C3=O)CC2)ncn1 ZINC000767522711 1079917978 /nfs/dbraw/zinc/91/79/78/1079917978.db2.gz IFWIGOMMSUFAGW-HSZRJFAPSA-N 1 2 423.517 2.426 20 0 HEADLO C[C@@H]1CC[N@@H+]([C@@H]2C[C@@H](C(=O)N3CCSC3)N(C(=O)OC(C)(C)C)C2)CCC1=O ZINC001170044558 1079923811 /nfs/dbraw/zinc/92/38/11/1079923811.db2.gz QXFUYFMHFFVMGC-OAGGEKHMSA-N 1 2 411.568 2.198 20 0 HEADLO C[C@@H]1CC[N@H+]([C@@H]2C[C@@H](C(=O)N3CCSC3)N(C(=O)OC(C)(C)C)C2)CCC1=O ZINC001170044558 1079923819 /nfs/dbraw/zinc/92/38/19/1079923819.db2.gz QXFUYFMHFFVMGC-OAGGEKHMSA-N 1 2 411.568 2.198 20 0 HEADLO O=C(OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)[C@H]1CCCN(c2ncnc3sccc32)C1 ZINC000767560389 1079932771 /nfs/dbraw/zinc/93/27/71/1079932771.db2.gz UONBYAGDIUXCAA-HRCADAONSA-N 1 2 402.520 2.314 20 0 HEADLO O=C(OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)[C@H]1CCCN(c2ncnc3sccc32)C1 ZINC000767560389 1079932788 /nfs/dbraw/zinc/93/27/88/1079932788.db2.gz UONBYAGDIUXCAA-HRCADAONSA-N 1 2 402.520 2.314 20 0 HEADLO Cc1cccc(C)c1NC(=O)COC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000767538564 1079940900 /nfs/dbraw/zinc/94/09/00/1079940900.db2.gz NPYSPXMWROWHDJ-UHFFFAOYSA-N 1 2 424.501 2.309 20 0 HEADLO Cc1cccn2cc(COC(=O)CCC(=O)N3CCN(c4cccc[nH+]4)CC3)nc12 ZINC000767540330 1079942068 /nfs/dbraw/zinc/94/20/68/1079942068.db2.gz XKFDTLDXTNHVMS-UHFFFAOYSA-N 1 2 407.474 2.210 20 0 HEADLO CC(C)(C)OC(=O)N1CCSC[C@@H]1CC(=O)OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000767573346 1079984422 /nfs/dbraw/zinc/98/44/22/1079984422.db2.gz CTMGUPKFEHIDOS-HRCADAONSA-N 1 2 400.541 2.135 20 0 HEADLO CC(C)(C)OC(=O)N1CCSC[C@@H]1CC(=O)OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000767573346 1079984449 /nfs/dbraw/zinc/98/44/49/1079984449.db2.gz CTMGUPKFEHIDOS-HRCADAONSA-N 1 2 400.541 2.135 20 0 HEADLO CC(C)(C)OC(=O)N1CC[C@H](N(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)C2CC2)C1 ZINC000772600580 1080002383 /nfs/dbraw/zinc/00/23/83/1080002383.db2.gz OXPXAXLLMRTSDF-KRWDZBQOSA-N 1 2 410.559 2.281 20 0 HEADLO CC(C)(C)OC(=O)N1CC[C@H](N(C(=O)NCC[N@H+]2CCOC(C)(C)C2)C2CC2)C1 ZINC000772600580 1080002393 /nfs/dbraw/zinc/00/23/93/1080002393.db2.gz OXPXAXLLMRTSDF-KRWDZBQOSA-N 1 2 410.559 2.281 20 0 HEADLO CC(=O)Nc1cccc(C(=O)N2CC[N@@H+](C)C[C@H]2CNC(=O)OC(C)(C)C)c1C ZINC000785603513 1080074303 /nfs/dbraw/zinc/07/43/03/1080074303.db2.gz ZZAMACOBFQXEOB-MRXNPFEDSA-N 1 2 404.511 2.234 20 0 HEADLO CC(=O)Nc1cccc(C(=O)N2CC[N@H+](C)C[C@H]2CNC(=O)OC(C)(C)C)c1C ZINC000785603513 1080074309 /nfs/dbraw/zinc/07/43/09/1080074309.db2.gz ZZAMACOBFQXEOB-MRXNPFEDSA-N 1 2 404.511 2.234 20 0 HEADLO O=C1N[C@]2(CCCCc3ccccc32)C(=O)N1C[N@@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000767782517 1080089841 /nfs/dbraw/zinc/08/98/41/1080089841.db2.gz PKVAECCOOAWKAU-UEXGIBASSA-N 1 2 401.532 2.324 20 0 HEADLO O=C1N[C@]2(CCCCc3ccccc32)C(=O)N1C[N@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000767782517 1080089849 /nfs/dbraw/zinc/08/98/49/1080089849.db2.gz PKVAECCOOAWKAU-UEXGIBASSA-N 1 2 401.532 2.324 20 0 HEADLO O=C1N[C@]2(CCCCc3ccccc32)C(=O)N1C[N@@H+]1CCS[C@H]2COCC[C@H]21 ZINC000767782513 1080089861 /nfs/dbraw/zinc/08/98/61/1080089861.db2.gz PKVAECCOOAWKAU-LQWHRVPQSA-N 1 2 401.532 2.324 20 0 HEADLO O=C1N[C@]2(CCCCc3ccccc32)C(=O)N1C[N@H+]1CCS[C@H]2COCC[C@H]21 ZINC000767782513 1080089865 /nfs/dbraw/zinc/08/98/65/1080089865.db2.gz PKVAECCOOAWKAU-LQWHRVPQSA-N 1 2 401.532 2.324 20 0 HEADLO O=C(OCc1ccc(Cl)c2cccnc12)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000785654012 1080111877 /nfs/dbraw/zinc/11/18/77/1080111877.db2.gz DGPBYDCQCNGBCA-MRXNPFEDSA-N 1 2 417.893 2.112 20 0 HEADLO CC(C)(C)OC(=O)N1CC(OCC(=O)NCC[N@@H+]2CCc3c(Cl)cccc3C2)C1 ZINC000785725170 1080200563 /nfs/dbraw/zinc/20/05/63/1080200563.db2.gz LXAPTOKMHLVCMB-UHFFFAOYSA-N 1 2 423.941 2.450 20 0 HEADLO CC(C)(C)OC(=O)N1CC(OCC(=O)NCC[N@H+]2CCc3c(Cl)cccc3C2)C1 ZINC000785725170 1080200571 /nfs/dbraw/zinc/20/05/71/1080200571.db2.gz LXAPTOKMHLVCMB-UHFFFAOYSA-N 1 2 423.941 2.450 20 0 HEADLO Cc1cc(C(=O)COC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)c(C)n1[C@@H]1CCS(=O)(=O)C1 ZINC000785742388 1080210970 /nfs/dbraw/zinc/21/09/70/1080210970.db2.gz HWFHMPXMIYEONG-JKIFEVAISA-N 1 2 410.536 2.063 20 0 HEADLO Cc1cc(C(=O)COC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)c(C)n1[C@@H]1CCS(=O)(=O)C1 ZINC000785742388 1080210979 /nfs/dbraw/zinc/21/09/79/1080210979.db2.gz HWFHMPXMIYEONG-JKIFEVAISA-N 1 2 410.536 2.063 20 0 HEADLO C[C@@](O)(C1CC[NH+](C[C@@](C)(O)c2ccc(S(C)(=O)=O)cc2)CC1)C(F)(F)F ZINC000767919858 1080216321 /nfs/dbraw/zinc/21/63/21/1080216321.db2.gz VHBOPTFVHXGNAU-IAGOWNOFSA-N 1 2 409.470 2.323 20 0 HEADLO O=C(C[N@@H+]1CCS[C@@H]2COCC[C@H]21)Nc1ccccc1C(=O)NCc1ccco1 ZINC000767910575 1080224020 /nfs/dbraw/zinc/22/40/20/1080224020.db2.gz FNJPDVPJGICZIN-RTBURBONSA-N 1 2 415.515 2.354 20 0 HEADLO O=C(C[N@H+]1CCS[C@@H]2COCC[C@H]21)Nc1ccccc1C(=O)NCc1ccco1 ZINC000767910575 1080224026 /nfs/dbraw/zinc/22/40/26/1080224026.db2.gz FNJPDVPJGICZIN-RTBURBONSA-N 1 2 415.515 2.354 20 0 HEADLO CCOC(=O)C1C(C[N@@H+]2CCS[C@@H]3COCC[C@@H]32)=NC(=O)N[C@H]1c1ccccc1 ZINC000767911218 1080224534 /nfs/dbraw/zinc/22/45/34/1080224534.db2.gz HVZGFZMMHKXVDL-SCTDSRPQSA-N 1 2 417.531 2.064 20 0 HEADLO CCOC(=O)C1C(C[N@H+]2CCS[C@@H]3COCC[C@@H]32)=NC(=O)N[C@H]1c1ccccc1 ZINC000767911218 1080224540 /nfs/dbraw/zinc/22/45/40/1080224540.db2.gz HVZGFZMMHKXVDL-SCTDSRPQSA-N 1 2 417.531 2.064 20 0 HEADLO CCOC(=O)C1=C(C[N@@H+]2CCS[C@@H]3COCC[C@@H]32)NC(=O)N[C@H]1c1ccccc1 ZINC000767911218 1080224544 /nfs/dbraw/zinc/22/45/44/1080224544.db2.gz HVZGFZMMHKXVDL-SCTDSRPQSA-N 1 2 417.531 2.064 20 0 HEADLO CCOC(=O)C1=C(C[N@H+]2CCS[C@@H]3COCC[C@@H]32)NC(=O)N[C@H]1c1ccccc1 ZINC000767911218 1080224552 /nfs/dbraw/zinc/22/45/52/1080224552.db2.gz HVZGFZMMHKXVDL-SCTDSRPQSA-N 1 2 417.531 2.064 20 0 HEADLO Cc1cc(N2CCN(C(=O)COC(=O)[C@@H]3COc4ccccc43)CC2)nc(C(C)C)[nH+]1 ZINC000785769320 1080239017 /nfs/dbraw/zinc/23/90/17/1080239017.db2.gz MYHVHEIIGHOLOA-GOSISDBHSA-N 1 2 424.501 2.276 20 0 HEADLO COc1ccc2cc(CNC(=O)C(=O)N[C@@H]3CCN(c4cccc[nH+]4)C3)ccc2c1 ZINC000785886056 1080276387 /nfs/dbraw/zinc/27/63/87/1080276387.db2.gz DKWOEZMMGLOWSJ-LJQANCHMSA-N 1 2 404.470 2.255 20 0 HEADLO COc1cccc([C@@H](CNC(=O)N(CCS(C)(=O)=O)C(C)C)[NH+]2CCCC2)c1 ZINC000768020763 1080286469 /nfs/dbraw/zinc/28/64/69/1080286469.db2.gz FDMQXESNIWWSFA-LJQANCHMSA-N 1 2 411.568 2.297 20 0 HEADLO C[C@H](NC(=O)C[NH+]1CCC(O)(c2ccc(-c3ccccc3)cc2)CC1)C(=O)N(C)C ZINC000785978050 1080333551 /nfs/dbraw/zinc/33/35/51/1080333551.db2.gz NEMYJWZKMKQXNJ-SFHVURJKSA-N 1 2 409.530 2.230 20 0 HEADLO CCOC(=O)C1=NN(c2ccccc2)[C@H](C(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)C1 ZINC000768147525 1080354389 /nfs/dbraw/zinc/35/43/89/1080354389.db2.gz FWNVFBHKPGCYDM-LPHOPBHVSA-N 1 2 409.490 2.324 20 0 HEADLO CC(C)(C)OC(=O)NCCN(CCO)C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000768191632 1080406609 /nfs/dbraw/zinc/40/66/09/1080406609.db2.gz IVTCLIZTCCFGCH-UHFFFAOYSA-N 1 2 421.542 2.101 20 0 HEADLO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1CN1CC[NH+](Cc2ccco2)CC1 ZINC000768214036 1080417757 /nfs/dbraw/zinc/41/77/57/1080417757.db2.gz FSAYFXVDDBTTHA-OAHLLOKOSA-N 1 2 412.943 2.115 20 0 HEADLO Cc1cc(C(F)(F)F)ccc1CNC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000786121402 1080437915 /nfs/dbraw/zinc/43/79/15/1080437915.db2.gz JUSBZMGCWJTPPY-UHFFFAOYSA-N 1 2 421.485 2.322 20 0 HEADLO C[C@H](Nc1ccc(N(C)CCO)c[nH+]1)[C@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000768250339 1080440711 /nfs/dbraw/zinc/44/07/11/1080440711.db2.gz XWVFJJVQHLJGKV-FXAWDEMLSA-N 1 2 414.506 2.348 20 0 HEADLO CC(C)(C)OC(=O)N1C[C@H]2CC(C(=O)NCc3ccn4cc[nH+]c4c3)C[C@@H](C1)C2=O ZINC000768272000 1080452927 /nfs/dbraw/zinc/45/29/27/1080452927.db2.gz PDGRURBCRYAMIR-ALOPSCKCSA-N 1 2 412.490 2.413 20 0 HEADLO O=C(C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[C@@H]3C=C[C@H]1CC3)C2)NC(=O)NC1CCCC1 ZINC001109307587 1080574161 /nfs/dbraw/zinc/57/41/61/1080574161.db2.gz ROEBVJZPKIUGOY-WOHUTOPTSA-N 1 2 414.550 2.079 20 0 HEADLO O=C(C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[C@@H]3C=C[C@H]1CC3)C2)NC(=O)NC1CCCC1 ZINC001109307587 1080574171 /nfs/dbraw/zinc/57/41/71/1080574171.db2.gz ROEBVJZPKIUGOY-WOHUTOPTSA-N 1 2 414.550 2.079 20 0 HEADLO COC(=O)c1cc(S(=O)(=O)N2C[C@H](C)[N@H+](C)C[C@H]2C)c(Br)cc1F ZINC000768563994 1080632861 /nfs/dbraw/zinc/63/28/61/1080632861.db2.gz VPVWRLLMUSVXLX-VHSXEESVSA-N 1 2 423.304 2.088 20 0 HEADLO COC(=O)c1cc(S(=O)(=O)N2C[C@H](C)[N@@H+](C)C[C@H]2C)c(Br)cc1F ZINC000768563994 1080632871 /nfs/dbraw/zinc/63/28/71/1080632871.db2.gz VPVWRLLMUSVXLX-VHSXEESVSA-N 1 2 423.304 2.088 20 0 HEADLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)C(=O)NCc3ccc(Cl)nc3)CC2)c1 ZINC000786602770 1080703810 /nfs/dbraw/zinc/70/38/10/1080703810.db2.gz MRLVWXLWOLMYHH-OAHLLOKOSA-N 1 2 416.909 2.265 20 0 HEADLO CN(CC[N@H+](C)CC(=O)NC[C@@H]1CCN(c2ccccc2)C1)C(=O)OC(C)(C)C ZINC000768745141 1080768522 /nfs/dbraw/zinc/76/85/22/1080768522.db2.gz MXJDXUDADBFDQF-SFHVURJKSA-N 1 2 404.555 2.428 20 0 HEADLO CN(CC[N@@H+](C)CC(=O)NC[C@@H]1CCN(c2ccccc2)C1)C(=O)OC(C)(C)C ZINC000768745141 1080768528 /nfs/dbraw/zinc/76/85/28/1080768528.db2.gz MXJDXUDADBFDQF-SFHVURJKSA-N 1 2 404.555 2.428 20 0 HEADLO O=S(=O)(/C=C/c1cccc(Cl)c1)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000768802655 1080779775 /nfs/dbraw/zinc/77/97/75/1080779775.db2.gz AYSJZAPFDAHWKB-GIDUJCDVSA-N 1 2 421.954 2.232 20 0 HEADLO CCOC(CCNC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1)OCC ZINC000786772120 1080813381 /nfs/dbraw/zinc/81/33/81/1080813381.db2.gz JFUASVXNCLBPHB-SJLPKXTDSA-N 1 2 411.930 2.107 20 0 HEADLO CCOC(CCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1)OCC ZINC000786772120 1080813385 /nfs/dbraw/zinc/81/33/85/1080813385.db2.gz JFUASVXNCLBPHB-SJLPKXTDSA-N 1 2 411.930 2.107 20 0 HEADLO CCOC(CCNC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1)OCC ZINC000786772124 1080813409 /nfs/dbraw/zinc/81/34/09/1080813409.db2.gz JFUASVXNCLBPHB-WMZOPIPTSA-N 1 2 411.930 2.107 20 0 HEADLO CCOC(CCNC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1)OCC ZINC000786772124 1080813412 /nfs/dbraw/zinc/81/34/12/1080813412.db2.gz JFUASVXNCLBPHB-WMZOPIPTSA-N 1 2 411.930 2.107 20 0 HEADLO CC(C)(C)OC(=O)N1CCN(C(=O)C[NH+]2CCN(c3ccccn3)CC2)C(C)(C)C1 ZINC000746610230 1080842983 /nfs/dbraw/zinc/84/29/83/1080842983.db2.gz OFWAHDWYUZYOBR-UHFFFAOYSA-N 1 2 417.554 2.062 20 0 HEADLO O=C(COC(=O)c1ccoc1Cl)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000768949237 1080861793 /nfs/dbraw/zinc/86/17/93/1080861793.db2.gz AUBSDKLHKDMCOZ-UHFFFAOYSA-N 1 2 404.850 2.369 20 0 HEADLO Cc1ccncc1/C=C/C(=O)OCC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000786911251 1080880725 /nfs/dbraw/zinc/88/07/25/1080880725.db2.gz MVBKRIHHOGORSY-VOTSOKGWSA-N 1 2 409.486 2.095 20 0 HEADLO CC(C)Oc1ccccc1COC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000786993766 1080902449 /nfs/dbraw/zinc/90/24/49/1080902449.db2.gz AVYUEMAMIUFBCK-FQEVSTJZSA-N 1 2 404.507 2.230 20 0 HEADLO O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)OCCc1c(F)cccc1Cl ZINC000786994584 1080904611 /nfs/dbraw/zinc/90/46/11/1080904611.db2.gz GTHWLASHBYIIBB-GOSISDBHSA-N 1 2 412.889 2.278 20 0 HEADLO O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)OCc1cc(-c2ccccc2)no1 ZINC000786994425 1080904705 /nfs/dbraw/zinc/90/47/05/1080904705.db2.gz QNXFAWJXISJKLL-HXUWFJFHSA-N 1 2 413.474 2.098 20 0 HEADLO Cc1cc(N2CCN(C(=O)c3ncc(Br)cn3)CC2)nc(C(C)C)[nH+]1 ZINC000786993868 1080905635 /nfs/dbraw/zinc/90/56/35/1080905635.db2.gz CFWUYDDICVOEOD-UHFFFAOYSA-N 1 2 405.300 2.423 20 0 HEADLO O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)OCc1cc(F)cc2cccnc21 ZINC000787000014 1080913820 /nfs/dbraw/zinc/91/38/20/1080913820.db2.gz KJTWNYPEZYSDGB-IBGZPJMESA-N 1 2 415.465 2.130 20 0 HEADLO O=C(NCCS(=O)(=O)CC1CC1)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000769142184 1080957582 /nfs/dbraw/zinc/95/75/82/1080957582.db2.gz ATBBWLCDRWFFLS-MOPGFXCFSA-N 1 2 402.520 2.236 20 0 HEADLO CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000769144575 1080959220 /nfs/dbraw/zinc/95/92/20/1080959220.db2.gz WFOMGWKZVROQEU-OXJNMPFZSA-N 1 2 415.600 2.250 20 0 HEADLO CC(C)(C)OC(=O)NC1CC[NH+](CC(=O)NCc2noc(-c3cccs3)n2)CC1 ZINC000769149675 1080969632 /nfs/dbraw/zinc/96/96/32/1080969632.db2.gz GEUOSOBKNCVNNS-UHFFFAOYSA-N 1 2 421.523 2.403 20 0 HEADLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)C(=O)NCc2cccc(NC(=O)C3CCC3)c2)C1 ZINC000787079879 1080984486 /nfs/dbraw/zinc/98/44/86/1080984486.db2.gz HECXPAOKPMSCGN-GOSISDBHSA-N 1 2 423.517 2.181 20 0 HEADLO C[N@@H+]1CCN(C(=O)Nc2nnc(C(F)(F)F)s2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000769239082 1081012834 /nfs/dbraw/zinc/01/28/34/1081012834.db2.gz UAZNCWXDEAGIAW-SECBINFHSA-N 1 2 424.449 2.230 20 0 HEADLO C[N@H+]1CCN(C(=O)Nc2nnc(C(F)(F)F)s2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000769239082 1081012842 /nfs/dbraw/zinc/01/28/42/1081012842.db2.gz UAZNCWXDEAGIAW-SECBINFHSA-N 1 2 424.449 2.230 20 0 HEADLO CC(=O)c1ccc(N2CCC[N@H+](Cc3ccc(F)cc3)CC2)c(S(N)(=O)=O)c1 ZINC000769356386 1081053206 /nfs/dbraw/zinc/05/32/06/1081053206.db2.gz SPBFJVQVDMCRPR-UHFFFAOYSA-N 1 2 405.495 2.388 20 0 HEADLO CC(=O)c1ccc(N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)c(S(N)(=O)=O)c1 ZINC000769356386 1081053213 /nfs/dbraw/zinc/05/32/13/1081053213.db2.gz SPBFJVQVDMCRPR-UHFFFAOYSA-N 1 2 405.495 2.388 20 0 HEADLO CC(=O)c1ccc(N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)c(S(N)(=O)=O)c1 ZINC000769355343 1081053239 /nfs/dbraw/zinc/05/32/39/1081053239.db2.gz PHRKDNZQANJWMY-UHFFFAOYSA-N 1 2 417.535 2.085 20 0 HEADLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)C(=O)NCc1ccc(N2CCCCC2)nc1 ZINC000787201899 1081059816 /nfs/dbraw/zinc/05/98/16/1081059816.db2.gz JVKLHNUAPNDCMX-UHFFFAOYSA-N 1 2 418.501 2.190 20 0 HEADLO CCOc1cc(CN2CC[NH+](CC[S@@](C)=O)CC2)cc(Br)c1OC ZINC000769479898 1081077624 /nfs/dbraw/zinc/07/76/24/1081077624.db2.gz JWPFZQFFQXCZEL-XMMPIXPASA-N 1 2 419.385 2.353 20 0 HEADLO Cc1nn(Cc2ccc(C)cc2)c(Cl)c1CN(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000769468701 1081089845 /nfs/dbraw/zinc/08/98/45/1081089845.db2.gz OOZTVESRKLXDIR-LJQANCHMSA-N 1 2 406.958 2.327 20 0 HEADLO C[S@](=O)CC[NH+]1CCN(Cc2cc(Cl)ccc2OC[C@@H]2CCCO2)CC1 ZINC000769478637 1081093627 /nfs/dbraw/zinc/09/36/27/1081093627.db2.gz DZUBYOJKGUJHMD-QYBDOPJKSA-N 1 2 400.972 2.394 20 0 HEADLO COc1c(C)c[nH+]c(CNC(=O)C(=O)NCc2cccnc2OC2CCCC2)c1C ZINC000787277655 1081106696 /nfs/dbraw/zinc/10/66/96/1081106696.db2.gz JHEQTZSUXSBQRZ-UHFFFAOYSA-N 1 2 412.490 2.356 20 0 HEADLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)c1ccc2c(c1)CN(C(=O)OC(C)(C)C)C2 ZINC000769569073 1081127956 /nfs/dbraw/zinc/12/79/56/1081127956.db2.gz BMFXRGHHHWZBEH-MRXNPFEDSA-N 1 2 402.539 2.303 20 0 HEADLO CN(C)C(=O)COc1ccc(C(F)(F)C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)cc1 ZINC000769595397 1081142085 /nfs/dbraw/zinc/14/20/85/1081142085.db2.gz FDHSBIYDONDVNV-UHFFFAOYSA-N 1 2 406.433 2.375 20 0 HEADLO CN(C)C(=O)COc1ccc(C(F)(F)C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)cc1 ZINC000769595397 1081142094 /nfs/dbraw/zinc/14/20/94/1081142094.db2.gz FDHSBIYDONDVNV-UHFFFAOYSA-N 1 2 406.433 2.375 20 0 HEADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1ccc2c(c1)CN(C(=O)OC(C)(C)C)C2 ZINC000769613508 1081172727 /nfs/dbraw/zinc/17/27/27/1081172727.db2.gz NUYGJGTWGYFFOZ-KRWDZBQOSA-N 1 2 414.462 2.175 20 0 HEADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1ccc2c(c1)CN(C(=O)OC(C)(C)C)C2 ZINC000769613508 1081172731 /nfs/dbraw/zinc/17/27/31/1081172731.db2.gz NUYGJGTWGYFFOZ-KRWDZBQOSA-N 1 2 414.462 2.175 20 0 HEADLO COCCN1CC[N@H+](C)C2(CCN(c3cnc4cc(Cl)ccc4n3)CC2)C1=O ZINC001164633056 719272482 /nfs/dbraw/zinc/27/24/82/719272482.db2.gz FXVDJPABGGFHKU-UHFFFAOYSA-N 1 2 403.914 2.043 20 0 HEADLO COCCN1CC[N@@H+](C)C2(CCN(c3cnc4cc(Cl)ccc4n3)CC2)C1=O ZINC001164633056 719272485 /nfs/dbraw/zinc/27/24/85/719272485.db2.gz FXVDJPABGGFHKU-UHFFFAOYSA-N 1 2 403.914 2.043 20 0 HEADLO COC(=O)c1cc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)ncn1 ZINC001164671187 719506541 /nfs/dbraw/zinc/50/65/41/719506541.db2.gz CQAJUDWOASAXOO-UHFFFAOYSA-N 1 2 400.454 2.274 20 0 HEADLO COC(=O)c1cc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)ncn1 ZINC001164671187 719506545 /nfs/dbraw/zinc/50/65/45/719506545.db2.gz CQAJUDWOASAXOO-UHFFFAOYSA-N 1 2 400.454 2.274 20 0 HEADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(Cl)nc2c1CCCC2 ZINC001164705788 719845133 /nfs/dbraw/zinc/84/51/33/719845133.db2.gz VRTIVTDHLOXPAP-JLTOFOAXSA-N 1 2 408.930 2.242 20 0 HEADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cnc(Cl)nc1SC ZINC001164697851 719854158 /nfs/dbraw/zinc/85/41/58/719854158.db2.gz BIHBDOPXFVVOBK-PXAZEXFGSA-N 1 2 400.932 2.085 20 0 HEADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc2ccc(OC)cc2nc1C ZINC001164700495 719872005 /nfs/dbraw/zinc/87/20/05/719872005.db2.gz DRTZPXGXDLKRNM-OPAMFIHVSA-N 1 2 414.506 2.180 20 0 HEADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc(C)nc(-c2ccco2)n1 ZINC001164707378 719872171 /nfs/dbraw/zinc/87/21/71/719872171.db2.gz RXCLPPLSTVKNMI-KKSFZXQISA-N 1 2 400.479 2.278 20 0 HEADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc(-c2ccncc2)nc(C)n1 ZINC001164706115 719872213 /nfs/dbraw/zinc/87/22/13/719872213.db2.gz OUEICQLZSDPIOI-AVRDEDQJSA-N 1 2 411.506 2.080 20 0 HEADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc(-c2ccc(C)o2)nn1 ZINC001164707954 719872694 /nfs/dbraw/zinc/87/26/94/719872694.db2.gz WTULQQMGEYAAKG-HRAATJIYSA-N 1 2 400.479 2.278 20 0 HEADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc(-c2ccc(C)o2)nn1 ZINC001164707955 719872953 /nfs/dbraw/zinc/87/29/53/719872953.db2.gz WTULQQMGEYAAKG-IERDGZPVSA-N 1 2 400.479 2.278 20 0 HEADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cncc(N2CCCCCC2)n1 ZINC001164699096 719873904 /nfs/dbraw/zinc/87/39/04/719873904.db2.gz ADKCDVBBDDJGHO-GCJKJVERSA-N 1 2 417.554 2.090 20 0 HEADLO Cc1noc([C@@]23COC[C@H]2CN(c2ncnc4c2C[N@H+](Cc2ccccc2)CC4)C3)n1 ZINC001164807582 720055165 /nfs/dbraw/zinc/05/51/65/720055165.db2.gz WBEBKVPPZOEVPH-JPYJTQIMSA-N 1 2 418.501 2.131 20 0 HEADLO Cc1noc([C@@]23COC[C@H]2CN(c2ncnc4c2C[N@@H+](Cc2ccccc2)CC4)C3)n1 ZINC001164807582 720055168 /nfs/dbraw/zinc/05/51/68/720055168.db2.gz WBEBKVPPZOEVPH-JPYJTQIMSA-N 1 2 418.501 2.131 20 0 HEADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3cc(C)nc(Cl)c3)C2)C1 ZINC001164718885 720215072 /nfs/dbraw/zinc/21/50/72/720215072.db2.gz OEVLMLIPDXGWIB-SFHVURJKSA-N 1 2 416.900 2.253 20 0 HEADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3cc(C)nc(Cl)c3)C2)C1 ZINC001164718885 720215080 /nfs/dbraw/zinc/21/50/80/720215080.db2.gz OEVLMLIPDXGWIB-SFHVURJKSA-N 1 2 416.900 2.253 20 0 HEADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3ncc(F)c(-c4ccsc4)n3)C2)C1 ZINC001164723770 720307045 /nfs/dbraw/zinc/30/70/45/720307045.db2.gz PERMXUWYXZFYHM-FQEVSTJZSA-N 1 2 419.526 2.009 20 0 HEADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3ncc(F)c(-c4ccsc4)n3)C2)C1 ZINC001164723770 720307051 /nfs/dbraw/zinc/30/70/51/720307051.db2.gz PERMXUWYXZFYHM-FQEVSTJZSA-N 1 2 419.526 2.009 20 0 HEADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4cncc(Cl)n4)CC3)C2=O)cs1 ZINC001164826473 720359350 /nfs/dbraw/zinc/35/93/50/720359350.db2.gz VMVCVJSCDBYZQX-UHFFFAOYSA-N 1 2 406.943 2.208 20 0 HEADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4cncc(Cl)n4)CC3)C2=O)cs1 ZINC001164826473 720359354 /nfs/dbraw/zinc/35/93/54/720359354.db2.gz VMVCVJSCDBYZQX-UHFFFAOYSA-N 1 2 406.943 2.208 20 0 HEADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ncc(F)c(C)n4)CC3)C2=O)cs1 ZINC001164826790 720368103 /nfs/dbraw/zinc/36/81/03/720368103.db2.gz ZEQQFNVACITLRE-UHFFFAOYSA-N 1 2 404.515 2.002 20 0 HEADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ncc(F)c(C)n4)CC3)C2=O)cs1 ZINC001164826790 720368110 /nfs/dbraw/zinc/36/81/10/720368110.db2.gz ZEQQFNVACITLRE-UHFFFAOYSA-N 1 2 404.515 2.002 20 0 HEADLO O=c1cc(Cn2cc[nH+]c2)nc2n1CCCN(C(F)(F)Oc1cccnc1Cl)C2 ZINC001164861833 720895349 /nfs/dbraw/zinc/89/53/49/720895349.db2.gz YXCPNZMUVBZUMT-UHFFFAOYSA-N 1 2 422.823 2.372 20 0 HEADLO Cc1nc(Cl)cc(C(F)(F)N2CCCn3c(=O)cc(Cn4cc[nH+]c4)nc3C2)n1 ZINC001164860113 720895414 /nfs/dbraw/zinc/89/54/14/720895414.db2.gz SKEDSWYFGFVNDR-UHFFFAOYSA-N 1 2 421.839 2.195 20 0 HEADLO c1[nH+]cn2c1CN(c1ccc(CN3CCOCC3)cn1)C[C@H](COc1cccnc1)C2 ZINC001164766088 721272526 /nfs/dbraw/zinc/27/25/26/721272526.db2.gz MUTSGAZCXGOGDT-FQEVSTJZSA-N 1 2 420.517 2.221 20 0 HEADLO NC(=O)c1ccc(C(F)(F)N2C[C@@H]3C[NH+](Cc4nccs4)C[C@H]3C2)nc1Cl ZINC001164788404 721392509 /nfs/dbraw/zinc/39/25/09/721392509.db2.gz RMAHEZOVOMAYIC-QWRGUYRKSA-N 1 2 413.881 2.404 20 0 HEADLO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4nc[nH]c5nc(=S)sc4-5)C3)O2)CC1 ZINC001164897451 721429986 /nfs/dbraw/zinc/42/99/86/721429986.db2.gz UDMXDSOCCDANKQ-IFXJQAMLSA-N 1 2 420.608 2.140 20 0 HEADLO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4nc[nH]c5nc(=S)sc4-5)C3)O2)CC1 ZINC001164897451 721429988 /nfs/dbraw/zinc/42/99/88/721429988.db2.gz UDMXDSOCCDANKQ-IFXJQAMLSA-N 1 2 420.608 2.140 20 0 HEADLO COC(=O)c1ccc2cnc(N3CCCn4c(C[N@H+](C)C(C)C)nnc4C3)nc2c1 ZINC001165009921 721696481 /nfs/dbraw/zinc/69/64/81/721696481.db2.gz RSCRGYYUBOHUNU-UHFFFAOYSA-N 1 2 409.494 2.258 20 0 HEADLO COC(=O)c1ccc2cnc(N3CCCn4c(C[N@@H+](C)C(C)C)nnc4C3)nc2c1 ZINC001165009921 721696488 /nfs/dbraw/zinc/69/64/88/721696488.db2.gz RSCRGYYUBOHUNU-UHFFFAOYSA-N 1 2 409.494 2.258 20 0 HEADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(C(F)(F)COc1ccc(Cl)nn1)C2 ZINC001165008497 721714116 /nfs/dbraw/zinc/71/41/16/721714116.db2.gz FVHJLYSUVXUZHM-UHFFFAOYSA-N 1 2 415.876 2.439 20 0 HEADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(C(F)(F)COc1ccc(Cl)nn1)C2 ZINC001165008497 721714122 /nfs/dbraw/zinc/71/41/22/721714122.db2.gz FVHJLYSUVXUZHM-UHFFFAOYSA-N 1 2 415.876 2.439 20 0 HEADLO F[C@@H](Oc1ccnc(Cl)c1)N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164910393 721776107 /nfs/dbraw/zinc/77/61/07/721776107.db2.gz BMRAJJUFSRFSSE-UXHICEINSA-N 1 2 422.888 2.365 20 0 HEADLO F[C@@H](Oc1ccnc(Cl)c1)N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164910393 721776113 /nfs/dbraw/zinc/77/61/13/721776113.db2.gz BMRAJJUFSRFSSE-UXHICEINSA-N 1 2 422.888 2.365 20 0 HEADLO CSc1cc(C)nc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164915648 721782755 /nfs/dbraw/zinc/78/27/55/721782755.db2.gz MLABFKDAAWMNRP-FQEVSTJZSA-N 1 2 401.536 2.010 20 0 HEADLO CSc1cc(C)nc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164915648 721782760 /nfs/dbraw/zinc/78/27/60/721782760.db2.gz MLABFKDAAWMNRP-FQEVSTJZSA-N 1 2 401.536 2.010 20 0 HEADLO Cc1nc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nc(C)c1Cl ZINC001164916055 721787053 /nfs/dbraw/zinc/78/70/53/721787053.db2.gz OMIXLRKVPOUTIY-HXUWFJFHSA-N 1 2 403.914 2.250 20 0 HEADLO Cc1nc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nc(C)c1Cl ZINC001164916055 721787059 /nfs/dbraw/zinc/78/70/59/721787059.db2.gz OMIXLRKVPOUTIY-HXUWFJFHSA-N 1 2 403.914 2.250 20 0 HEADLO COc1cnc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c(Cl)c1 ZINC001164917495 721789403 /nfs/dbraw/zinc/78/94/03/721789403.db2.gz XTHAYTQVFPTSOQ-HXUWFJFHSA-N 1 2 404.898 2.246 20 0 HEADLO COc1cnc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c(Cl)c1 ZINC001164917495 721789409 /nfs/dbraw/zinc/78/94/09/721789409.db2.gz XTHAYTQVFPTSOQ-HXUWFJFHSA-N 1 2 404.898 2.246 20 0 HEADLO CCc1c(Cl)ncnc1N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164913542 721795841 /nfs/dbraw/zinc/79/58/41/721795841.db2.gz FEZNXHSCTYONHZ-FQEVSTJZSA-N 1 2 403.914 2.195 20 0 HEADLO CCc1c(Cl)ncnc1N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164913542 721795844 /nfs/dbraw/zinc/79/58/44/721795844.db2.gz FEZNXHSCTYONHZ-FQEVSTJZSA-N 1 2 403.914 2.195 20 0 HEADLO CCOC(=O)[C@@H]1CCc2nnc(N3CCC4(CC3)c3[nH+]cc(C)n3CCN4C)cc2C1 ZINC001164919091 721821526 /nfs/dbraw/zinc/82/15/26/721821526.db2.gz LSESPARPGVJNCQ-QGZVFWFLSA-N 1 2 424.549 2.091 20 0 HEADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2nc(Cl)cc(O[C@@H]3CCOC3)n2)CC1 ZINC001164919709 721821532 /nfs/dbraw/zinc/82/15/32/721821532.db2.gz UHUDIPRJRFBOJQ-OAHLLOKOSA-N 1 2 418.929 2.244 20 0 HEADLO COc1ccc(C)[nH+]c1N1CCO[C@]2(C1)COCCN(Cc1csc(C)n1)C2 ZINC001164925470 721827390 /nfs/dbraw/zinc/82/73/90/721827390.db2.gz QHNBNFJBMXKWPH-HXUWFJFHSA-N 1 2 404.536 2.271 20 0 HEADLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1ccc(N3CCCCC3)nn1)CC2 ZINC001164945499 721968885 /nfs/dbraw/zinc/96/88/85/721968885.db2.gz LMJUYIBVLLJCIW-UHFFFAOYSA-N 1 2 420.561 2.438 20 0 HEADLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1ccc(N3CCCCC3)nn1)CC2 ZINC001164945499 721968888 /nfs/dbraw/zinc/96/88/88/721968888.db2.gz LMJUYIBVLLJCIW-UHFFFAOYSA-N 1 2 420.561 2.438 20 0 HEADLO COc1ccc2c(cc[nH+]c2N2CCc3ncnc(N4CCN(C)CC4)c3CC2)c1 ZINC001164998099 722231230 /nfs/dbraw/zinc/23/12/30/722231230.db2.gz XKTHUKYNIPWVNY-UHFFFAOYSA-N 1 2 404.518 2.390 20 0 HEADLO COc1ccc(C[NH+]2CCN(C3CN(C(=O)OC(C)(C)C)C3)CC2)c(OC)c1OC ZINC000769698364 1078524441 /nfs/dbraw/zinc/52/44/41/1078524441.db2.gz ZBEWPGFFYQDSCR-UHFFFAOYSA-N 1 2 421.538 2.449 20 0 HEADLO C[C@@H]1C[NH+](C[C@@H]2CCCN2S(=O)(=O)CCC(=O)OCc2ccccc2)C[C@@H](C)O1 ZINC000769758027 1078542483 /nfs/dbraw/zinc/54/24/83/1078542483.db2.gz PXTBKSVZYGUVFC-GGPKGHCWSA-N 1 2 424.563 2.023 20 0 HEADLO Cc1cc(N2CCN(C(=O)COC(=O)[C@H](C)C(F)(F)F)CC2)nc(C(C)C)[nH+]1 ZINC000745619043 1078561372 /nfs/dbraw/zinc/56/13/72/1078561372.db2.gz IUPUVXGRCPZYFP-ZDUSSCGKSA-N 1 2 402.417 2.299 20 0 HEADLO COc1ccc(C[C@@H](CO)CNC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cc1O ZINC000745783357 1078641338 /nfs/dbraw/zinc/64/13/38/1078641338.db2.gz PLVYPJVNUWEJGA-GOSISDBHSA-N 1 2 410.474 2.237 20 0 HEADLO CC(C)OCCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[C@@H]3CCCC[C@H]13)C2 ZINC001109546202 1078645237 /nfs/dbraw/zinc/64/52/37/1078645237.db2.gz XSJDQAPAHFQOKC-ZJKGHYPUSA-N 1 2 405.583 2.466 20 0 HEADLO CC(C)OCCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[C@@H]3CCCC[C@H]13)C2 ZINC001109546202 1078645241 /nfs/dbraw/zinc/64/52/41/1078645241.db2.gz XSJDQAPAHFQOKC-ZJKGHYPUSA-N 1 2 405.583 2.466 20 0 HEADLO C[C@H]1C[N@H+](CCNC(=O)N[C@@H](Cc2ccccc2)C(=O)N(C)c2ccccc2)CCO1 ZINC000745790561 1078645544 /nfs/dbraw/zinc/64/55/44/1078645544.db2.gz AXJDQADDNBGAMW-UGKGYDQZSA-N 1 2 424.545 2.281 20 0 HEADLO C[C@H]1C[N@@H+](CCNC(=O)N[C@@H](Cc2ccccc2)C(=O)N(C)c2ccccc2)CCO1 ZINC000745790561 1078645550 /nfs/dbraw/zinc/64/55/50/1078645550.db2.gz AXJDQADDNBGAMW-UGKGYDQZSA-N 1 2 424.545 2.281 20 0 HEADLO CC(C)(C)OC(=O)N1CCCC[C@H](NC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)C1 ZINC000745819242 1078649004 /nfs/dbraw/zinc/64/90/04/1078649004.db2.gz YDZFHCFZBVNFGC-ROUUACIJSA-N 1 2 410.559 2.282 20 0 HEADLO COCCOC[C@H]1CCN(C(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)C1 ZINC000745868306 1078667953 /nfs/dbraw/zinc/66/79/53/1078667953.db2.gz QXYDKLVKGFJCLE-SFHVURJKSA-N 1 2 404.555 2.416 20 0 HEADLO CN(C)c1ccc([NH+]2CCC(NC(=O)N3CCN(c4cnccn4)CC3)CC2)cc1 ZINC000745869545 1078667978 /nfs/dbraw/zinc/66/79/78/1078667978.db2.gz HUSXZQPQOXZBJM-UHFFFAOYSA-N 1 2 409.538 2.043 20 0 HEADLO C[C@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000745870136 1078668664 /nfs/dbraw/zinc/66/86/64/1078668664.db2.gz PRMRLFBMYKRIFM-CVEARBPZSA-N 1 2 410.584 2.184 20 0 HEADLO CC(C)(C)OC(=O)NC1CCC(NC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)CC1 ZINC000745835209 1078660374 /nfs/dbraw/zinc/66/03/74/1078660374.db2.gz XWDPEHPRDKEQFS-ABHNRTSZSA-N 1 2 410.559 2.329 20 0 HEADLO COC(=O)C1=C(CN2CCC[C@H](c3[nH+]ccn3C)C2)N(C)C(=O)N[C@H]1c1ccccc1 ZINC000770027405 1078694127 /nfs/dbraw/zinc/69/41/27/1078694127.db2.gz OYKWNMXNTKYYRY-PXNSSMCTSA-N 1 2 423.517 2.423 20 0 HEADLO C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)c3cccc4[nH+]ccn43)cc2)C[C@@H](C)O1 ZINC000770054544 1078707165 /nfs/dbraw/zinc/70/71/65/1078707165.db2.gz BNCWQLDGEVHXON-HUUCEWRRSA-N 1 2 414.487 2.385 20 0 HEADLO CCN(CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1)c1ccc(Cl)cc1 ZINC000746101487 1078786542 /nfs/dbraw/zinc/78/65/42/1078786542.db2.gz GDCOYAXYQRVXTM-UHFFFAOYSA-N 1 2 413.913 2.192 20 0 HEADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N1CCOC[C@@H]1C[C@@H](O)c1ccco1 ZINC000770259682 1078793923 /nfs/dbraw/zinc/79/39/23/1078793923.db2.gz GWRFLAALNKQDHY-FUHWJXTLSA-N 1 2 416.478 2.176 20 0 HEADLO Cc1ccc(OC[C@@H](C)NC(=O)C(=O)Nc2ccc(N3CCOCC3)[nH+]c2C)cc1 ZINC000770262113 1078796974 /nfs/dbraw/zinc/79/69/74/1078796974.db2.gz CNDGDTSSHQOMAH-MRXNPFEDSA-N 1 2 412.490 2.057 20 0 HEADLO C[C@@H](c1ccco1)[N@H+](C)CC(=O)N1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1 ZINC000746124780 1078798092 /nfs/dbraw/zinc/79/80/92/1078798092.db2.gz WUDFSGHKWUCFAI-FJJYYWMZSA-N 1 2 417.531 2.417 20 0 HEADLO C[C@@H](c1ccco1)[N@@H+](C)CC(=O)N1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1 ZINC000746124780 1078798095 /nfs/dbraw/zinc/79/80/95/1078798095.db2.gz WUDFSGHKWUCFAI-FJJYYWMZSA-N 1 2 417.531 2.417 20 0 HEADLO CSCC[C@@H](NS(=O)(=O)C=Cc1ccccc1)C(=O)Nc1cc[nH+]c(C)c1 ZINC000770291328 1078817795 /nfs/dbraw/zinc/81/77/95/1078817795.db2.gz ILPXWTKXNVNLSH-ADYSOMBNSA-N 1 2 405.545 2.462 20 0 HEADLO C[C@@H](NC(=O)C1(NC(=O)OC(C)(C)C)Cc2ccccc2C1)[C@H](C)[NH+]1CCOCC1 ZINC000746224570 1078826262 /nfs/dbraw/zinc/82/62/62/1078826262.db2.gz PLALOOZXWUJACD-SJORKVTESA-N 1 2 417.550 2.274 20 0 HEADLO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[N@@H+]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000770376741 1078833563 /nfs/dbraw/zinc/83/35/63/1078833563.db2.gz XHOXPCZFDUWEOQ-HRCADAONSA-N 1 2 401.960 2.453 20 0 HEADLO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[N@H+]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000770376741 1078833564 /nfs/dbraw/zinc/83/35/64/1078833564.db2.gz XHOXPCZFDUWEOQ-HRCADAONSA-N 1 2 401.960 2.453 20 0 HEADLO Cc1[nH]ncc1C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000770380106 1078834220 /nfs/dbraw/zinc/83/42/20/1078834220.db2.gz LKUCJDJJBVSSHB-WMZOPIPTSA-N 1 2 405.543 2.446 20 0 HEADLO Cc1[nH]ncc1C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000770380106 1078834223 /nfs/dbraw/zinc/83/42/23/1078834223.db2.gz LKUCJDJJBVSSHB-WMZOPIPTSA-N 1 2 405.543 2.446 20 0 HEADLO Cc1[nH]ncc1C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000770380104 1078834354 /nfs/dbraw/zinc/83/43/54/1078834354.db2.gz LKUCJDJJBVSSHB-SJLPKXTDSA-N 1 2 405.543 2.446 20 0 HEADLO Cc1[nH]ncc1C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000770380104 1078834355 /nfs/dbraw/zinc/83/43/55/1078834355.db2.gz LKUCJDJJBVSSHB-SJLPKXTDSA-N 1 2 405.543 2.446 20 0 HEADLO CSCC[C@H](NC(=O)c1ccco1)C(=O)N1CCC([N@H+](C)CC(F)F)CC1 ZINC000746319460 1078858037 /nfs/dbraw/zinc/85/80/37/1078858037.db2.gz AMEJGJCMEGPHBD-AWEZNQCLSA-N 1 2 403.495 2.319 20 0 HEADLO CSCC[C@H](NC(=O)c1ccco1)C(=O)N1CCC([N@@H+](C)CC(F)F)CC1 ZINC000746319460 1078858039 /nfs/dbraw/zinc/85/80/39/1078858039.db2.gz AMEJGJCMEGPHBD-AWEZNQCLSA-N 1 2 403.495 2.319 20 0 HEADLO CC(C)(C)[C@H]1CCCC[C@@H]1CNC(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000746378295 1078884141 /nfs/dbraw/zinc/88/41/41/1078884141.db2.gz RUAIQJGNWYFKOM-MJGOQNOKSA-N 1 2 419.570 2.123 20 0 HEADLO COC(=O)CN(CC[NH+]1CCOCC1)Cn1nc(-c2ccccc2)sc1=S ZINC000746379827 1078885033 /nfs/dbraw/zinc/88/50/33/1078885033.db2.gz KJMGMLBZZJMHFW-UHFFFAOYSA-N 1 2 408.549 2.106 20 0 HEADLO CNC(=O)CC1CC[NH+](CN2C(=O)N[C@](C)(c3ccc(F)cc3Cl)C2=O)CC1 ZINC000746385113 1078888384 /nfs/dbraw/zinc/88/83/84/1078888384.db2.gz QDGAGNYHEFFPJB-LJQANCHMSA-N 1 2 410.877 2.052 20 0 HEADLO O=C(CCn1nnc2ccccc2c1=O)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000102674338 1078892822 /nfs/dbraw/zinc/89/28/22/1078892822.db2.gz YVJPPSMSDGIIIG-TWGQIWQCSA-N 1 2 403.486 2.039 20 0 HEADLO O=C(COC(=O)c1cc(=O)[nH]c(C2CC2)c1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000770580010 1078895567 /nfs/dbraw/zinc/89/55/67/1078895567.db2.gz AQYDCNCRBXIPJF-UHFFFAOYSA-N 1 2 411.458 2.292 20 0 HEADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)c1nn(-c2ccc(F)cc2)ccc1=O ZINC000770663898 1078924634 /nfs/dbraw/zinc/92/46/34/1078924634.db2.gz FKBLZTDDTBYMRI-UHFFFAOYSA-N 1 2 409.421 2.164 20 0 HEADLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)C(=O)Nc1ccnn1-c1cccc(F)c1 ZINC000770730996 1078957179 /nfs/dbraw/zinc/95/71/79/1078957179.db2.gz MPTWEIRMAUCSFT-UHFFFAOYSA-N 1 2 404.405 2.452 20 0 HEADLO C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)N1CC[NH+](CC[S@](C)=O)CC1 ZINC000746467449 1079017706 /nfs/dbraw/zinc/01/77/06/1079017706.db2.gz KPHDLGXFNWUENF-XBBWARJSSA-N 1 2 413.587 2.277 20 0 HEADLO Cc1ccc(-c2csc(NC(=O)[C@@H](C)N3CC[NH+](CC[S@@](C)=O)CC3)n2)cc1 ZINC000746473801 1079028338 /nfs/dbraw/zinc/02/83/38/1079028338.db2.gz KMUQVLCJLKFHRI-WVDZOPJMSA-N 1 2 420.604 2.442 20 0 HEADLO C[S@@](=O)CC[NH+]1CCN(CCC(=O)NC(c2ccccc2)c2ccccc2)CC1 ZINC000746476326 1079030353 /nfs/dbraw/zinc/03/03/53/1079030353.db2.gz UHLYILBQNBNHEP-GDLZYMKVSA-N 1 2 413.587 2.278 20 0 HEADLO Cc1cccc(NC(=O)c2ccccc2NC(=O)C[NH+]2CCC(NC(N)=O)CC2)c1 ZINC000746481040 1079037102 /nfs/dbraw/zinc/03/71/02/1079037102.db2.gz CKVFRDUOWZSASI-UHFFFAOYSA-N 1 2 409.490 2.319 20 0 HEADLO C[C@@H](C(=O)Nc1ccccc1S(C)(=O)=O)N1CCC([N@H+](C)CC(F)F)CC1 ZINC000746482973 1079041165 /nfs/dbraw/zinc/04/11/65/1079041165.db2.gz UAZBNNVVBIWJBP-ZDUSSCGKSA-N 1 2 403.495 2.078 20 0 HEADLO C[C@@H](C(=O)Nc1ccccc1S(C)(=O)=O)N1CCC([N@@H+](C)CC(F)F)CC1 ZINC000746482973 1079041169 /nfs/dbraw/zinc/04/11/69/1079041169.db2.gz UAZBNNVVBIWJBP-ZDUSSCGKSA-N 1 2 403.495 2.078 20 0 HEADLO Cc1cc(NC(=O)C[NH+]2CCC(N(C)CC(F)F)CC2)n(-c2nc(C)cc(C)n2)n1 ZINC000746482754 1079041643 /nfs/dbraw/zinc/04/16/43/1079041643.db2.gz RUFTYNAEMWBJKW-UHFFFAOYSA-N 1 2 421.496 2.187 20 0 HEADLO C[C@H]1C[C@@H]([N@@H+]2CCc3onc(COCC(=O)N(C)C)c3C2)CN1C(=O)OC(C)(C)C ZINC001168849703 1079061115 /nfs/dbraw/zinc/06/11/15/1079061115.db2.gz LHFKRTNXGGLCPL-LSDHHAIUSA-N 1 2 422.526 2.035 20 0 HEADLO C[C@H]1C[C@@H]([N@H+]2CCc3onc(COCC(=O)N(C)C)c3C2)CN1C(=O)OC(C)(C)C ZINC001168849703 1079061123 /nfs/dbraw/zinc/06/11/23/1079061123.db2.gz LHFKRTNXGGLCPL-LSDHHAIUSA-N 1 2 422.526 2.035 20 0 HEADLO COc1ccc(CN2CC[C@H]([N@@H+]3CCn4nc(C(F)(F)F)nc4C3)CC2=O)cc1 ZINC001168921067 1079075809 /nfs/dbraw/zinc/07/58/09/1079075809.db2.gz SLANFHDEJSQOSD-AWEZNQCLSA-N 1 2 409.412 2.312 20 0 HEADLO COc1ccc(CN2CC[C@H]([N@H+]3CCn4nc(C(F)(F)F)nc4C3)CC2=O)cc1 ZINC001168921067 1079075815 /nfs/dbraw/zinc/07/58/15/1079075815.db2.gz SLANFHDEJSQOSD-AWEZNQCLSA-N 1 2 409.412 2.312 20 0 HEADLO CSCC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)OCc1cccc2[nH+]ccn21 ZINC000770922241 1079081639 /nfs/dbraw/zinc/08/16/39/1079081639.db2.gz ZNBOUMCLDBFPPQ-QGZVFWFLSA-N 1 2 419.528 2.478 20 0 HEADLO O=C(OCc1cccc2[nH+]ccn21)c1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O ZINC000770922095 1079081776 /nfs/dbraw/zinc/08/17/76/1079081776.db2.gz XUZLELPMCJERNR-MRXNPFEDSA-N 1 2 405.410 2.466 20 0 HEADLO NC(=O)c1ccc(/C=C/C(=O)N2CCC[C@@H]2C(=O)OCc2cccc3[nH+]ccn32)cc1 ZINC000770923189 1079082116 /nfs/dbraw/zinc/08/21/16/1079082116.db2.gz YLLNIXRXTAFJQZ-UFUQCMIWSA-N 1 2 418.453 2.181 20 0 HEADLO CCCOc1ccc(C(=O)N2CCO[C@H](C[NH+]3CCOCC3)C2)cc1OCCC ZINC001168990932 1079101779 /nfs/dbraw/zinc/10/17/79/1079101779.db2.gz JLLRIUUCHHYSGY-LJQANCHMSA-N 1 2 406.523 2.437 20 0 HEADLO O=C(c1ccccc1OCc1cn2ccccc2n1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000771029622 1079109271 /nfs/dbraw/zinc/10/92/71/1079109271.db2.gz BSXIYMJVXWEGIQ-LJQANCHMSA-N 1 2 406.486 2.460 20 0 HEADLO Cc1ccc(-n2nc(Br)cc2C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000771034110 1079110898 /nfs/dbraw/zinc/11/08/98/1079110898.db2.gz QXXNCPNCTHMJME-MRXNPFEDSA-N 1 2 419.323 2.490 20 0 HEADLO O=C(CCCn1cc[nH+]c1)NCCOc1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000766601553 1079150677 /nfs/dbraw/zinc/15/06/77/1079150677.db2.gz PVSPVVPQXCYBPI-UHFFFAOYSA-N 1 2 405.398 2.152 20 0 HEADLO COc1cccc(OC)c1-c1ccccc1NCC[NH+]1CCN(S(C)(=O)=O)CC1 ZINC001169344410 1079240544 /nfs/dbraw/zinc/24/05/44/1079240544.db2.gz DTJVCPFKUMXODW-UHFFFAOYSA-N 1 2 419.547 2.360 20 0 HEADLO COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)Nc2ccccc2-n2cc[nH+]c2)C1=O ZINC000771253016 1079243986 /nfs/dbraw/zinc/24/39/86/1079243986.db2.gz CAPBLTFEWPBKMO-JOCHJYFZSA-N 1 2 419.441 2.287 20 0 HEADLO CCOC(=O)[C@@H]1CC[C@@H]([N@H+]2Cc3c(cnn3CC)[C@H](COc3cccnc3)C2)CO1 ZINC001169384585 1079257034 /nfs/dbraw/zinc/25/70/34/1079257034.db2.gz GEFZTBAOBKXDJR-FVJLSDCUSA-N 1 2 414.506 2.387 20 0 HEADLO CCOC(=O)[C@@H]1CC[C@@H]([N@@H+]2Cc3c(cnn3CC)[C@H](COc3cccnc3)C2)CO1 ZINC001169384585 1079257041 /nfs/dbraw/zinc/25/70/41/1079257041.db2.gz GEFZTBAOBKXDJR-FVJLSDCUSA-N 1 2 414.506 2.387 20 0 HEADLO COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)Nc2ccc3[nH+]c(C)cn3c2)C1=O ZINC000771317781 1079282782 /nfs/dbraw/zinc/28/27/82/1079282782.db2.gz FZWYUUZXHOOTRO-NRFANRHFSA-N 1 2 407.430 2.057 20 0 HEADLO COc1ccc(OC)c([C@@H](O)CNC(=O)CNc2cccc(-c3c[nH+]cn3C)c2)c1 ZINC001169446300 1079295764 /nfs/dbraw/zinc/29/57/64/1079295764.db2.gz ZOMFBCHXTLIMIZ-FQEVSTJZSA-N 1 2 410.474 2.366 20 0 HEADLO COC(=O)c1coc(=O)c(N[C@H]2C[C@H](C(=O)OCc3ccccc3)CCC[NH2+]2)c1 ZINC001169516755 1079327793 /nfs/dbraw/zinc/32/77/93/1079327793.db2.gz DYMYSEUBHRXRCC-QAPCUYQASA-N 1 2 400.431 2.298 20 0 HEADLO Cc1cc2c(cc1C)[C@@H](C(=O)N1CC[N@@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C)CO2 ZINC000771399957 1079322829 /nfs/dbraw/zinc/32/28/29/1079322829.db2.gz VJEBEOJWDNOKOD-WMZOPIPTSA-N 1 2 403.523 2.447 20 0 HEADLO Cc1cc2c(cc1C)[C@@H](C(=O)N1CC[N@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C)CO2 ZINC000771399957 1079322838 /nfs/dbraw/zinc/32/28/38/1079322838.db2.gz VJEBEOJWDNOKOD-WMZOPIPTSA-N 1 2 403.523 2.447 20 0 HEADLO Cc1cccc2c1CN(C(=O)OC(C)(C)C)CCN2C[C@@H](O)C[NH+]1CCOCC1 ZINC000771454252 1079329881 /nfs/dbraw/zinc/32/98/81/1079329881.db2.gz IVLBYYHCSUDXHR-SFHVURJKSA-N 1 2 405.539 2.245 20 0 HEADLO COc1cccc(C[NH+]2CCN(C(=O)Cc3cc(OC)c(O)c(OC)c3)CC2)c1 ZINC001169551585 1079330470 /nfs/dbraw/zinc/33/04/70/1079330470.db2.gz SPDPERUJKNJXHT-UHFFFAOYSA-N 1 2 400.475 2.305 20 0 HEADLO Cn1cc([C@H](O)C[C@@H]2CCCN2C(=O)NCc2ccccc2Cn2cc[nH+]c2)cn1 ZINC000766754079 1079331993 /nfs/dbraw/zinc/33/19/93/1079331993.db2.gz NSKQSDFDVYPNNC-LEWJYISDSA-N 1 2 408.506 2.463 20 0 HEADLO COc1cc(NC(=O)c2ccco2)c(C(=O)N[C@@H]2CCc3c[nH+]cn3C2)cc1OC ZINC000804331847 1079340544 /nfs/dbraw/zinc/34/05/44/1079340544.db2.gz DXRDNAZQCZPMAV-CYBMUJFWSA-N 1 2 410.430 2.490 20 0 HEADLO CC(=O)N1CCC[C@@H]([N@H+]2Cc3ncn(C)c3[C@H](COCc3csc(C)n3)C2)C1 ZINC001169616644 1079353514 /nfs/dbraw/zinc/35/35/14/1079353514.db2.gz XJXHPQIVEIGKGE-FUHWJXTLSA-N 1 2 403.552 2.312 20 0 HEADLO CC(=O)N1CCC[C@@H]([N@@H+]2Cc3ncn(C)c3[C@H](COCc3csc(C)n3)C2)C1 ZINC001169616644 1079353522 /nfs/dbraw/zinc/35/35/22/1079353522.db2.gz XJXHPQIVEIGKGE-FUHWJXTLSA-N 1 2 403.552 2.312 20 0 HEADLO CC(=O)N1CCC[C@H]([N@H+]2Cc3ncn(C)c3[C@@H](COCc3csc(C)n3)C2)C1 ZINC001169616642 1079353639 /nfs/dbraw/zinc/35/36/39/1079353639.db2.gz XJXHPQIVEIGKGE-AEFFLSMTSA-N 1 2 403.552 2.312 20 0 HEADLO CC(=O)N1CCC[C@H]([N@@H+]2Cc3ncn(C)c3[C@@H](COCc3csc(C)n3)C2)C1 ZINC001169616642 1079353645 /nfs/dbraw/zinc/35/36/45/1079353645.db2.gz XJXHPQIVEIGKGE-AEFFLSMTSA-N 1 2 403.552 2.312 20 0 HEADLO CC(C)(C)OC(=O)N1CC[C@H](c2cc(C(=O)N[C@H]3CCc4c[nH+]cn4C3)[nH]n2)C1 ZINC000804334402 1079376606 /nfs/dbraw/zinc/37/66/06/1079376606.db2.gz FZBSLJXWRJVGCG-KBPBESRZSA-N 1 2 400.483 2.075 20 0 HEADLO O=C(N[C@H]1CCc2c[nH+]cn2C1)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000804335694 1079384772 /nfs/dbraw/zinc/38/47/72/1079384772.db2.gz DCNFKQGARWBIKR-ZDUSSCGKSA-N 1 2 408.911 2.066 20 0 HEADLO O=C(N[C@H]1CCc2c[nH+]cn2C1)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC000804337001 1079384996 /nfs/dbraw/zinc/38/49/96/1079384996.db2.gz TWJWVWMYNWCPNA-AWEZNQCLSA-N 1 2 422.938 2.456 20 0 HEADLO COCCn1c(C)c(C)n(C[NH+]2CCC(Oc3ccnc(C(N)=O)c3)CC2)c1=S ZINC000771619306 1079402116 /nfs/dbraw/zinc/40/21/16/1079402116.db2.gz IEVSVHRYUZIWFN-UHFFFAOYSA-N 1 2 419.551 2.277 20 0 HEADLO O=C(CC[N@@H+]1Cc2cccnc2C1)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC001169853147 1079448138 /nfs/dbraw/zinc/44/81/38/1079448138.db2.gz CDXSGNHFMBDUQA-UHFFFAOYSA-N 1 2 400.504 2.211 20 0 HEADLO O=C(CC[N@H+]1Cc2cccnc2C1)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC001169853147 1079448142 /nfs/dbraw/zinc/44/81/42/1079448142.db2.gz CDXSGNHFMBDUQA-UHFFFAOYSA-N 1 2 400.504 2.211 20 0 HEADLO CS(=O)(=O)C1CCC([N@H+]2Cc3cncn3C[C@@H](COCc3ccccn3)C2)CC1 ZINC001169881404 1079455595 /nfs/dbraw/zinc/45/55/95/1079455595.db2.gz UWSAIWCWCOIBGR-OCDPCBSRSA-N 1 2 418.563 2.283 20 0 HEADLO CS(=O)(=O)C1CCC([N@@H+]2Cc3cncn3C[C@@H](COCc3ccccn3)C2)CC1 ZINC001169881404 1079455619 /nfs/dbraw/zinc/45/56/19/1079455619.db2.gz UWSAIWCWCOIBGR-OCDPCBSRSA-N 1 2 418.563 2.283 20 0 HEADLO COC(=O)[C@]1([NH2+]C2CCC(S(C)(=O)=O)CC2)CCCN(Cc2ccccc2)C1 ZINC001169860967 1079460549 /nfs/dbraw/zinc/46/05/49/1079460549.db2.gz GVVOCXIXYCUAPD-GRERDSQWSA-N 1 2 408.564 2.140 20 0 HEADLO COC(=O)c1ccc(CN2CC[N@@H+](C3CCC(S(C)(=O)=O)CC3)[C@@H](C)C2)cc1 ZINC001169890749 1079463448 /nfs/dbraw/zinc/46/34/48/1079463448.db2.gz OTNPOQBIMWYCHF-DZIBYMRMSA-N 1 2 408.564 2.335 20 0 HEADLO COC(=O)c1ccc(CN2CC[N@H+](C3CCC(S(C)(=O)=O)CC3)[C@@H](C)C2)cc1 ZINC001169890749 1079463452 /nfs/dbraw/zinc/46/34/52/1079463452.db2.gz OTNPOQBIMWYCHF-DZIBYMRMSA-N 1 2 408.564 2.335 20 0 HEADLO Cc1nc(S(=O)(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)sc1Br ZINC000771757573 1079489048 /nfs/dbraw/zinc/48/90/48/1079489048.db2.gz XCLSSCUFVSMQAU-GFCCVEGCSA-N 1 2 424.386 2.136 20 0 HEADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@H](NC(=O)OCc1ccccc1)c1ccccc1 ZINC000737793838 1075929576 /nfs/dbraw/zinc/92/95/76/1075929576.db2.gz IKKFLRKHOGBRGS-GHTZIAJQSA-N 1 2 411.502 2.491 20 0 HEADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)C1=NN(c2ccccc2)C(=O)[C@H](C)N1 ZINC000737936239 1075939856 /nfs/dbraw/zinc/93/98/56/1075939856.db2.gz PVRHUCXGILJTRW-KRWDZBQOSA-N 1 2 421.501 2.104 20 0 HEADLO COCCCn1cnn(CN2CC[NH+](Cc3ccc(OC)c(F)c3)CC2)c1=S ZINC000738015602 1075950348 /nfs/dbraw/zinc/95/03/48/1075950348.db2.gz CICFQWYCMROHNY-UHFFFAOYSA-N 1 2 409.531 2.374 20 0 HEADLO Cn1c(=O)cc(Nc2[nH+]c(N)ccc2NC(=O)C(C)(C)C)n(-c2ccccc2)c1=O ZINC001169958082 1079493829 /nfs/dbraw/zinc/49/38/29/1079493829.db2.gz IBLIEYCJYQZSGV-UHFFFAOYSA-N 1 2 408.462 2.242 20 0 HEADLO NC(=O)CCn1c(-c2ccco2)nn(CN2CCC(n3cc[nH+]c3)CC2)c1=S ZINC000738109516 1075964741 /nfs/dbraw/zinc/96/47/41/1075964741.db2.gz CTQJVOIPDMLWTE-UHFFFAOYSA-N 1 2 401.496 2.041 20 0 HEADLO O=C1N[C@@](c2ccccc2)(C(F)(F)F)C(=O)N1C[N@@H+]1CCC[C@@H](C2OCCO2)C1 ZINC000738148324 1075969147 /nfs/dbraw/zinc/96/91/47/1075969147.db2.gz JXDDPPNPCXRXLJ-FZKQIMNGSA-N 1 2 413.396 2.038 20 0 HEADLO O=C1N[C@@](c2ccccc2)(C(F)(F)F)C(=O)N1C[N@H+]1CCC[C@@H](C2OCCO2)C1 ZINC000738148324 1075969159 /nfs/dbraw/zinc/96/91/59/1075969159.db2.gz JXDDPPNPCXRXLJ-FZKQIMNGSA-N 1 2 413.396 2.038 20 0 HEADLO COc1ccc(OC)c(-n2nnn(CN3CCC[C@@H](n4cc[nH+]c4)C3)c2=S)c1 ZINC000738149461 1075969388 /nfs/dbraw/zinc/96/93/88/1075969388.db2.gz RUVBDSXQECPMCU-CQSZACIVSA-N 1 2 401.496 2.307 20 0 HEADLO COc1cccc([C@H]2CN(C(=O)c3cc(S(=O)(=O)N(C)C)ccc3C)CC[NH2+]2)c1 ZINC001169963328 1079497276 /nfs/dbraw/zinc/49/72/76/1079497276.db2.gz GRVDHSPYNGRRFG-HXUWFJFHSA-N 1 2 417.531 2.041 20 0 HEADLO CCc1cnc(C[NH2+][C@H](C)c2cccc(N(S(C)(=O)=O)S(C)(=O)=O)c2)s1 ZINC000766238167 1076063922 /nfs/dbraw/zinc/06/39/22/1076063922.db2.gz XEOTYNSTVRXKFO-GFCCVEGCSA-N 1 2 417.578 2.282 20 0 HEADLO COC(=O)c1ccc(=O)n(C[N@@H+]2CCC[C@@H]2Cc2ccc(Br)cc2)n1 ZINC000739840827 1076088012 /nfs/dbraw/zinc/08/80/12/1076088012.db2.gz MJLFFZMTIHHBNN-OAHLLOKOSA-N 1 2 406.280 2.457 20 0 HEADLO COC(=O)c1ccc(=O)n(C[N@H+]2CCC[C@@H]2Cc2ccc(Br)cc2)n1 ZINC000739840827 1076088020 /nfs/dbraw/zinc/08/80/20/1076088020.db2.gz MJLFFZMTIHHBNN-OAHLLOKOSA-N 1 2 406.280 2.457 20 0 HEADLO C[N@@H+]1CCO[C@@H]([C@@H](NC(=O)NCCOc2cccnc2)c2ccc(Cl)cc2)C1 ZINC000766248965 1076135601 /nfs/dbraw/zinc/13/56/01/1076135601.db2.gz RIDAYVVKLBBYHV-MOPGFXCFSA-N 1 2 404.898 2.485 20 0 HEADLO C[N@H+]1CCO[C@@H]([C@@H](NC(=O)NCCOc2cccnc2)c2ccc(Cl)cc2)C1 ZINC000766248965 1076135607 /nfs/dbraw/zinc/13/56/07/1076135607.db2.gz RIDAYVVKLBBYHV-MOPGFXCFSA-N 1 2 404.898 2.485 20 0 HEADLO O=C(C[N@@H+]1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1)Nc1ccccc1C(=O)NC1CC1 ZINC000766248124 1076146461 /nfs/dbraw/zinc/14/64/61/1076146461.db2.gz GRIXGOXARZXOTC-OAHLLOKOSA-N 1 2 408.506 2.392 20 0 HEADLO O=C(C[N@H+]1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1)Nc1ccccc1C(=O)NC1CC1 ZINC000766248124 1076146469 /nfs/dbraw/zinc/14/64/69/1076146469.db2.gz GRIXGOXARZXOTC-OAHLLOKOSA-N 1 2 408.506 2.392 20 0 HEADLO COCCCn1c(=O)c2ccc(C(=O)N(C)CCCC[NH+](C)C)cc2[nH]c1=S ZINC000740708614 1076214261 /nfs/dbraw/zinc/21/42/61/1076214261.db2.gz BNPWJWHAWSWHMR-UHFFFAOYSA-N 1 2 406.552 2.136 20 0 HEADLO C[C@H](NC(=O)c1ccccc1C[NH+]1CCOCC1)c1cccc(NS(C)(=O)=O)c1 ZINC000740741663 1076230478 /nfs/dbraw/zinc/23/04/78/1076230478.db2.gz OGCFHRYBGVKLSW-INIZCTEOSA-N 1 2 417.531 2.381 20 0 HEADLO CC[N@@H+]1C[C@H](C)N(CC(=O)N(c2ccc(C)c(C)c2)[C@H]2C=CS(=O)(=O)C2)C[C@@H]1C ZINC000766255410 1076235679 /nfs/dbraw/zinc/23/56/79/1076235679.db2.gz XSIQTSRMGUKIES-ZJOUEHCJSA-N 1 2 419.591 2.362 20 0 HEADLO CC[N@H+]1C[C@H](C)N(CC(=O)N(c2ccc(C)c(C)c2)[C@H]2C=CS(=O)(=O)C2)C[C@@H]1C ZINC000766255410 1076235686 /nfs/dbraw/zinc/23/56/86/1076235686.db2.gz XSIQTSRMGUKIES-ZJOUEHCJSA-N 1 2 419.591 2.362 20 0 HEADLO COc1ccc(S(=O)(=O)CCC(=O)N[C@H](Cn2cc[nH+]c2)C(C)(C)C)cc1OC ZINC000740819525 1076245733 /nfs/dbraw/zinc/24/57/33/1076245733.db2.gz UOONTDWANBFKGE-GOSISDBHSA-N 1 2 423.535 2.295 20 0 HEADLO CCCCNC(=O)CN1CC[NH+](CCOc2ccc3c(C)cc(=O)oc3c2)CC1 ZINC000740873559 1076276655 /nfs/dbraw/zinc/27/66/55/1076276655.db2.gz KRWFNERNWDHIML-UHFFFAOYSA-N 1 2 401.507 2.014 20 0 HEADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)N[C@@H]2C[C@H]2c2c(F)cccc2Cl)CC1 ZINC000740916035 1076304134 /nfs/dbraw/zinc/30/41/34/1076304134.db2.gz WKWASZWQGUCXHU-CZUORRHYSA-N 1 2 417.934 2.143 20 0 HEADLO CCN1CC[NH+](CCCNC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2O)CC1 ZINC000740924644 1076307077 /nfs/dbraw/zinc/30/70/77/1076307077.db2.gz XOGKRLZZTRUQBU-UHFFFAOYSA-N 1 2 406.527 2.497 20 0 HEADLO CC(=O)N1CCCc2cc(NC(=O)Nc3cnn(CC[NH+]4CCOCC4)c3)ccc21 ZINC000741064895 1076351419 /nfs/dbraw/zinc/35/14/19/1076351419.db2.gz YAKOPTFSWWBZSY-UHFFFAOYSA-N 1 2 412.494 2.158 20 0 HEADLO O=C(NC[C@H](O)c1c(F)cccc1F)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000741073666 1076353956 /nfs/dbraw/zinc/35/39/56/1076353956.db2.gz BYZJKTFWXMZFSS-LPHOPBHVSA-N 1 2 405.445 2.198 20 0 HEADLO O=C(NC[C@H](O)c1c(F)cccc1F)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000741073666 1076353959 /nfs/dbraw/zinc/35/39/59/1076353959.db2.gz BYZJKTFWXMZFSS-LPHOPBHVSA-N 1 2 405.445 2.198 20 0 HEADLO CCOC(=O)C1C(COC(=O)[C@@H]2CCCC[N@@H+]2CC)=NC(=O)N[C@@H]1c1ccccc1 ZINC000741146952 1076392515 /nfs/dbraw/zinc/39/25/15/1076392515.db2.gz RJFHIWDUXWKYQT-PKOBYXMFSA-N 1 2 415.490 2.275 20 0 HEADLO CCOC(=O)C1C(COC(=O)[C@@H]2CCCC[N@H+]2CC)=NC(=O)N[C@@H]1c1ccccc1 ZINC000741146952 1076392521 /nfs/dbraw/zinc/39/25/21/1076392521.db2.gz RJFHIWDUXWKYQT-PKOBYXMFSA-N 1 2 415.490 2.275 20 0 HEADLO CC[N@@H+]1CCCC[C@@H]1C(=O)OCC(=O)N1CCN(c2ccc(C(C)=O)cc2F)CC1 ZINC000741147056 1076392568 /nfs/dbraw/zinc/39/25/68/1076392568.db2.gz FYNKGFBXFNQQSQ-HXUWFJFHSA-N 1 2 419.497 2.095 20 0 HEADLO CC[N@H+]1CCCC[C@@H]1C(=O)OCC(=O)N1CCN(c2ccc(C(C)=O)cc2F)CC1 ZINC000741147056 1076392574 /nfs/dbraw/zinc/39/25/74/1076392574.db2.gz FYNKGFBXFNQQSQ-HXUWFJFHSA-N 1 2 419.497 2.095 20 0 HEADLO Cc1ccc(CCC(=O)NCCOC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cc1 ZINC000741185395 1076399832 /nfs/dbraw/zinc/39/98/32/1076399832.db2.gz WYEWSVGKUIVBLQ-QFIPXVFZSA-N 1 2 410.514 2.488 20 0 HEADLO Cc1ccc(CCC(=O)NCCOC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1 ZINC000741185395 1076399833 /nfs/dbraw/zinc/39/98/33/1076399833.db2.gz WYEWSVGKUIVBLQ-QFIPXVFZSA-N 1 2 410.514 2.488 20 0 HEADLO O=C(C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)OCC(=O)N1CCC(c2ccccc2)=N1 ZINC000741346922 1076489931 /nfs/dbraw/zinc/48/99/31/1076489931.db2.gz NGJNMOWAFROQSQ-OAQYLSRUSA-N 1 2 421.497 2.457 20 0 HEADLO O=C(C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)OCC(=O)N1CCC(c2ccccc2)=N1 ZINC000741346922 1076489933 /nfs/dbraw/zinc/48/99/33/1076489933.db2.gz NGJNMOWAFROQSQ-OAQYLSRUSA-N 1 2 421.497 2.457 20 0 HEADLO Cc1ccc(CNC(=O)COC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)cc1F ZINC000741387823 1076496108 /nfs/dbraw/zinc/49/61/08/1076496108.db2.gz QFUUAMHFXMTDJN-HXUWFJFHSA-N 1 2 400.450 2.195 20 0 HEADLO Cc1ccc(CNC(=O)COC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1F ZINC000741387823 1076496111 /nfs/dbraw/zinc/49/61/11/1076496111.db2.gz QFUUAMHFXMTDJN-HXUWFJFHSA-N 1 2 400.450 2.195 20 0 HEADLO O=C(COC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1)NCCc1ccc(Cl)cc1 ZINC000741383379 1076507847 /nfs/dbraw/zinc/50/78/47/1076507847.db2.gz MJXOGRSIHYGLDV-FQEVSTJZSA-N 1 2 416.905 2.443 20 0 HEADLO O=C(COC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)NCCc1ccc(Cl)cc1 ZINC000741383379 1076507859 /nfs/dbraw/zinc/50/78/59/1076507859.db2.gz MJXOGRSIHYGLDV-FQEVSTJZSA-N 1 2 416.905 2.443 20 0 HEADLO O=C(COC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1)N1CCC[C@H](C(F)(F)F)C1 ZINC000741386149 1076509301 /nfs/dbraw/zinc/50/93/01/1076509301.db2.gz VFGZPEHLTKICTR-IRXDYDNUSA-N 1 2 414.424 2.232 20 0 HEADLO O=C(COC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CCC[C@H](C(F)(F)F)C1 ZINC000741386149 1076509310 /nfs/dbraw/zinc/50/93/10/1076509310.db2.gz VFGZPEHLTKICTR-IRXDYDNUSA-N 1 2 414.424 2.232 20 0 HEADLO O=C(Nc1cccc2[nH+]ccn21)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 ZINC000741740130 1076617193 /nfs/dbraw/zinc/61/71/93/1076617193.db2.gz MHZNWUGFNMUBMF-UHFFFAOYSA-N 1 2 409.471 2.134 20 0 HEADLO CN(C)c1ccc([NH+]2CCC(NC(=O)[C@H]3CC(=O)N(C)[C@@H]3c3cccnc3)CC2)cc1 ZINC000741982008 1076702677 /nfs/dbraw/zinc/70/26/77/1076702677.db2.gz IRDBMGMGHNBMDG-JTHBVZDNSA-N 1 2 421.545 2.452 20 0 HEADLO COC(=O)[C@@H](C)C[N@@H+](Cc1ccccc1)CN1C(=O)C(=O)N(Cc2ccccc2)C1=O ZINC000742150108 1076766971 /nfs/dbraw/zinc/76/69/71/1076766971.db2.gz OEFWVQHJBGASOD-KRWDZBQOSA-N 1 2 423.469 2.246 20 0 HEADLO COC(=O)[C@@H](C)C[N@H+](Cc1ccccc1)CN1C(=O)C(=O)N(Cc2ccccc2)C1=O ZINC000742150108 1076766978 /nfs/dbraw/zinc/76/69/78/1076766978.db2.gz OEFWVQHJBGASOD-KRWDZBQOSA-N 1 2 423.469 2.246 20 0 HEADLO Cc1nc(-c2cccnc2)[nH]c(=O)c1CC(=O)N1CCC([N@H+](C)CC(F)F)CC1 ZINC000742237336 1076803535 /nfs/dbraw/zinc/80/35/35/1076803535.db2.gz GYDIJYPTFUQYCW-UHFFFAOYSA-N 1 2 405.449 2.283 20 0 HEADLO Cc1nc(-c2cccnc2)[nH]c(=O)c1CC(=O)N1CCC([N@@H+](C)CC(F)F)CC1 ZINC000742237336 1076803538 /nfs/dbraw/zinc/80/35/38/1076803538.db2.gz GYDIJYPTFUQYCW-UHFFFAOYSA-N 1 2 405.449 2.283 20 0 HEADLO C[N@H+](CC(F)F)C1CCN(C(=O)CNC(=O)NCc2ccc(Cl)cc2)CC1 ZINC000742238576 1076803574 /nfs/dbraw/zinc/80/35/74/1076803574.db2.gz ISKGHKSRYXBZRD-UHFFFAOYSA-N 1 2 402.873 2.327 20 0 HEADLO C[N@@H+](CC(F)F)C1CCN(C(=O)CNC(=O)NCc2ccc(Cl)cc2)CC1 ZINC000742238576 1076803577 /nfs/dbraw/zinc/80/35/77/1076803577.db2.gz ISKGHKSRYXBZRD-UHFFFAOYSA-N 1 2 402.873 2.327 20 0 HEADLO COc1ccc(CN2C[C@H](C(=O)N3CCC([N@H+](C)CC(F)F)CC3)CC2=O)cc1 ZINC000742239125 1076803930 /nfs/dbraw/zinc/80/39/30/1076803930.db2.gz PJZQINLCLJZFQY-MRXNPFEDSA-N 1 2 409.477 2.232 20 0 HEADLO COc1ccc(CN2C[C@H](C(=O)N3CCC([N@@H+](C)CC(F)F)CC3)CC2=O)cc1 ZINC000742239125 1076803932 /nfs/dbraw/zinc/80/39/32/1076803932.db2.gz PJZQINLCLJZFQY-MRXNPFEDSA-N 1 2 409.477 2.232 20 0 HEADLO Cc1cc(C)n(Cc2cccc(C(N)=[NH+]O[C@H]3CCN(c4cc(C)nn4C)C3=O)c2)n1 ZINC000742357564 1076830275 /nfs/dbraw/zinc/83/02/75/1076830275.db2.gz XNNNYBNAEVTBNA-IBGZPJMESA-N 1 2 421.505 2.242 20 0 HEADLO CC(=O)N(c1nc(C[NH2+]CCOCCS(C)(=O)=O)cs1)c1ccc(F)cc1 ZINC000742374869 1076834814 /nfs/dbraw/zinc/83/48/14/1076834814.db2.gz ITBSFMKQECEHDW-UHFFFAOYSA-N 1 2 415.512 2.118 20 0 HEADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)/C=C/c2cnc(C(C)(C)C)s2)CC1 ZINC000742507463 1076846281 /nfs/dbraw/zinc/84/62/81/1076846281.db2.gz KIOLJPLNWNXZCI-AATRIKPKSA-N 1 2 411.535 2.479 20 0 HEADLO CCCCC[C@@H](C)CC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000742539841 1076849880 /nfs/dbraw/zinc/84/98/80/1076849880.db2.gz FBKKIMUPTNIGFL-GOSISDBHSA-N 1 2 410.584 2.256 20 0 HEADLO Cc1cccc(C)c1NC(=S)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000737464882 1076857961 /nfs/dbraw/zinc/85/79/61/1076857961.db2.gz BEXLHYMNUDOGPV-UHFFFAOYSA-N 1 2 412.563 2.449 20 0 HEADLO Cc1cccc(C)c1NC(=S)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000737464882 1076857962 /nfs/dbraw/zinc/85/79/62/1076857962.db2.gz BEXLHYMNUDOGPV-UHFFFAOYSA-N 1 2 412.563 2.449 20 0 HEADLO N=C1NC(=O)[C@H](CC(=O)NCCCC[NH+]2CCC(Cc3ccccc3)CC2)S1 ZINC000742656816 1076861062 /nfs/dbraw/zinc/86/10/62/1076861062.db2.gz JRJBAEBJDYHCOO-SFHVURJKSA-N 1 2 402.564 2.394 20 0 HEADLO O=C(OCc1ccccc1)N1CCC(C(=O)N2CCC[C@H]2C[NH+]2CCOCC2)CC1 ZINC000742763922 1076875195 /nfs/dbraw/zinc/87/51/95/1076875195.db2.gz LBZSMFDCQFZVDP-NRFANRHFSA-N 1 2 415.534 2.358 20 0 HEADLO C[C@@H]1CN(c2ccc(NC(=O)NC[C@]3([NH+]4CCOCC4)CCSC3)cc2)CCO1 ZINC000743174069 1076988822 /nfs/dbraw/zinc/98/88/22/1076988822.db2.gz DFMNXHSOTVXVPE-DYESRHJHSA-N 1 2 420.579 2.241 20 0 HEADLO COCCNS(=O)(=O)c1ccc(NC(=O)N[C@H](Cn2cc[nH+]c2)C(C)(C)C)cc1 ZINC000743213354 1077005053 /nfs/dbraw/zinc/00/50/53/1077005053.db2.gz XIXOTFKLVDCHOV-QGZVFWFLSA-N 1 2 423.539 2.044 20 0 HEADLO COCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cn2c3ccc(C(=O)C(C)C)cc3oc2=O)C1 ZINC000743359658 1077031898 /nfs/dbraw/zinc/03/18/98/1077031898.db2.gz VSSRSHXZBVJXGI-NVXWUHKLSA-N 1 2 417.506 2.254 20 0 HEADLO COCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](Cn2c3ccc(C(=O)C(C)C)cc3oc2=O)C1 ZINC000743359658 1077031905 /nfs/dbraw/zinc/03/19/05/1077031905.db2.gz VSSRSHXZBVJXGI-NVXWUHKLSA-N 1 2 417.506 2.254 20 0 HEADLO C[C@@H]1C[NH+](CN2C(=O)N[C@](C)(c3cccc(N4CCOC4=O)c3)C2=O)C[C@@H](C)S1 ZINC000743374547 1077033039 /nfs/dbraw/zinc/03/30/39/1077033039.db2.gz DUXWMTDEXFGCIQ-ARGWCVDVSA-N 1 2 418.519 2.194 20 0 HEADLO Cc1ccc(CC[N@H+](C[C@@H]2CCCO2)CN2C(=O)NC3(CCOCC3)C2=O)cc1 ZINC000743387820 1077039064 /nfs/dbraw/zinc/03/90/64/1077039064.db2.gz MAFPYTGTXDPRHU-IBGZPJMESA-N 1 2 401.507 2.077 20 0 HEADLO Cc1ccc(CC[N@@H+](C[C@@H]2CCCO2)CN2C(=O)NC3(CCOCC3)C2=O)cc1 ZINC000743387820 1077039070 /nfs/dbraw/zinc/03/90/70/1077039070.db2.gz MAFPYTGTXDPRHU-IBGZPJMESA-N 1 2 401.507 2.077 20 0 HEADLO C[C@@H]1C[N@H+](Cn2c3ccc(S(=O)(=O)N(C)C)cc3oc2=O)[C@H]1c1ccccc1 ZINC000743394511 1077041475 /nfs/dbraw/zinc/04/14/75/1077041475.db2.gz MORSOTJFNWFSMU-AUUYWEPGSA-N 1 2 401.488 2.495 20 0 HEADLO C[C@@H]1C[N@@H+](Cn2c3ccc(S(=O)(=O)N(C)C)cc3oc2=O)[C@H]1c1ccccc1 ZINC000743394511 1077041478 /nfs/dbraw/zinc/04/14/78/1077041478.db2.gz MORSOTJFNWFSMU-AUUYWEPGSA-N 1 2 401.488 2.495 20 0 HEADLO CC(C)(C)OC(=O)NC[C@H]1CCCC[C@H]1NC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000743504395 1077058879 /nfs/dbraw/zinc/05/88/79/1077058879.db2.gz DFLAIKTUOBYTGY-IAGOWNOFSA-N 1 2 412.575 2.480 20 0 HEADLO C[C@@H]1[C@H](C)[S@](=O)CC[N@@H+]1C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000743851545 1077142344 /nfs/dbraw/zinc/14/23/44/1077142344.db2.gz VQELMIDACHAPBF-AAGWIPOESA-N 1 2 410.580 2.325 20 0 HEADLO C[C@@H]1[C@H](C)[S@](=O)CC[N@H+]1C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000743851545 1077142355 /nfs/dbraw/zinc/14/23/55/1077142355.db2.gz VQELMIDACHAPBF-AAGWIPOESA-N 1 2 410.580 2.325 20 0 HEADLO C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)C[N@@H+]1CCc2c(cccc2N2CCOC2=O)C1 ZINC000743858439 1077145142 /nfs/dbraw/zinc/14/51/42/1077145142.db2.gz XPVLBBHJQCFZET-CRAIPNDOSA-N 1 2 414.506 2.406 20 0 HEADLO C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)C[N@H+]1CCc2c(cccc2N2CCOC2=O)C1 ZINC000743858439 1077145148 /nfs/dbraw/zinc/14/51/48/1077145148.db2.gz XPVLBBHJQCFZET-CRAIPNDOSA-N 1 2 414.506 2.406 20 0 HEADLO CC(=O)N/C(=C/c1ccccc1)C(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000743937247 1077229119 /nfs/dbraw/zinc/22/91/19/1077229119.db2.gz NGORXELXVGSUJR-OQKWZONESA-N 1 2 423.513 2.191 20 0 HEADLO CCCCNC(=O)C1CC[NH+](CN2C(=O)N[C@](C)(c3ccccc3F)C2=O)CC1 ZINC000744137539 1077327665 /nfs/dbraw/zinc/32/76/65/1077327665.db2.gz QYHRGOIFHHHZAS-OAQYLSRUSA-N 1 2 404.486 2.179 20 0 HEADLO O=C(NC1CC[NH+](CN2C(=O)N[C@H](Cc3ccccc3)C2=O)CC1)C1CCCCC1 ZINC000744156814 1077333569 /nfs/dbraw/zinc/33/35/69/1077333569.db2.gz HEIMWYBBZNYTLC-HXUWFJFHSA-N 1 2 412.534 2.268 20 0 HEADLO O=C(C[N@@H+]1CCc2c(cccc2N2CCOC2=O)C1)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000744412829 1077384651 /nfs/dbraw/zinc/38/46/51/1077384651.db2.gz UEXGJVNDDXPBRZ-UHFFFAOYSA-N 1 2 407.430 2.222 20 0 HEADLO O=C(C[N@H+]1CCc2c(cccc2N2CCOC2=O)C1)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000744412829 1077384658 /nfs/dbraw/zinc/38/46/58/1077384658.db2.gz UEXGJVNDDXPBRZ-UHFFFAOYSA-N 1 2 407.430 2.222 20 0 HEADLO CCn1c2ccc(S(=O)(=O)N(C)C)cc2n(C[N@@H+]2CC[C@H](CC(C)C)C2)c1=O ZINC000744437936 1077394155 /nfs/dbraw/zinc/39/41/55/1077394155.db2.gz IHKAEHDNGZOIFL-MRXNPFEDSA-N 1 2 408.568 2.399 20 0 HEADLO CCn1c2ccc(S(=O)(=O)N(C)C)cc2n(C[N@H+]2CC[C@H](CC(C)C)C2)c1=O ZINC000744437936 1077394161 /nfs/dbraw/zinc/39/41/61/1077394161.db2.gz IHKAEHDNGZOIFL-MRXNPFEDSA-N 1 2 408.568 2.399 20 0 HEADLO CCN(CC1CC[NH+](CN2C(=O)C(=O)N(CC(C)C)C2=O)CC1)C(=O)OC(C)(C)C ZINC000744439341 1077395416 /nfs/dbraw/zinc/39/54/16/1077395416.db2.gz KMJOIXFVJKOZEJ-UHFFFAOYSA-N 1 2 424.542 2.360 20 0 HEADLO C[C@@H](OC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1)C(=O)Nc1ncnc2[nH]cnc21 ZINC000745103898 1077732242 /nfs/dbraw/zinc/73/22/42/1077732242.db2.gz IINSOXIEIOKGJQ-ZBFHGGJFSA-N 1 2 408.462 2.278 20 0 HEADLO C[C@@H](OC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1)C(=O)Nc1ncnc2[nH]cnc21 ZINC000745103898 1077732256 /nfs/dbraw/zinc/73/22/56/1077732256.db2.gz IINSOXIEIOKGJQ-ZBFHGGJFSA-N 1 2 408.462 2.278 20 0 HEADLO CN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)COC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000745080380 1077734940 /nfs/dbraw/zinc/73/49/40/1077734940.db2.gz ABFFFKSFNGCCFJ-HNNXBMFYSA-N 1 2 415.412 2.130 20 0 HEADLO CN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)COC(=O)[C@@H]1CCCC[N@H+]1C ZINC000745080380 1077734951 /nfs/dbraw/zinc/73/49/51/1077734951.db2.gz ABFFFKSFNGCCFJ-HNNXBMFYSA-N 1 2 415.412 2.130 20 0 HEADLO COc1cc2c(cc1OC)CC[NH+]([C@H](C)C(=O)Nc1sccc1C(N)=O)CC2 ZINC000771796318 1079512033 /nfs/dbraw/zinc/51/20/33/1079512033.db2.gz MMDTZXZOAROHHL-GFCCVEGCSA-N 1 2 403.504 2.292 20 0 HEADLO COC(=O)[C@H](c1cc(OC)cc(OC)c1)[N@@H+]1CCC[C@@H]1C[C@H](O)c1cnn(C)c1 ZINC000766946694 1079535131 /nfs/dbraw/zinc/53/51/31/1079535131.db2.gz QUNNCJBHEWNMNQ-UXPWSPDFSA-N 1 2 403.479 2.240 20 0 HEADLO COC(=O)[C@H](c1cc(OC)cc(OC)c1)[N@H+]1CCC[C@@H]1C[C@H](O)c1cnn(C)c1 ZINC000766946694 1079535147 /nfs/dbraw/zinc/53/51/47/1079535147.db2.gz QUNNCJBHEWNMNQ-UXPWSPDFSA-N 1 2 403.479 2.240 20 0 HEADLO Cc1ncc(CCNC(=O)NCc2ccccc2OCC[NH+]2CCOCC2)s1 ZINC000771969713 1079614328 /nfs/dbraw/zinc/61/43/28/1079614328.db2.gz KNIKWTJMQJMJKF-UHFFFAOYSA-N 1 2 404.536 2.204 20 0 HEADLO CC(C)(C)OC(=O)N1CC(n2nnc([C@H]3C[N@H+](Cc4ccccc4)CCO3)n2)C1 ZINC000767061785 1079634289 /nfs/dbraw/zinc/63/42/89/1079634289.db2.gz MDMLHDHNSMVAON-QGZVFWFLSA-N 1 2 400.483 2.038 20 0 HEADLO CC(C)(C)OC(=O)N1CC(n2nnc([C@H]3C[N@@H+](Cc4ccccc4)CCO3)n2)C1 ZINC000767061785 1079634310 /nfs/dbraw/zinc/63/43/10/1079634310.db2.gz MDMLHDHNSMVAON-QGZVFWFLSA-N 1 2 400.483 2.038 20 0 HEADLO C[N@H+](CC(=O)OCC(=O)N[C@H](c1nccs1)c1ccccc1)[C@H]1CCSC1 ZINC000767111909 1079665549 /nfs/dbraw/zinc/66/55/49/1079665549.db2.gz NLXDRCONDQXKOR-YJBOKZPZSA-N 1 2 405.545 2.329 20 0 HEADLO C[N@@H+](CC(=O)OCC(=O)N[C@H](c1nccs1)c1ccccc1)[C@H]1CCSC1 ZINC000767111909 1079665562 /nfs/dbraw/zinc/66/55/62/1079665562.db2.gz NLXDRCONDQXKOR-YJBOKZPZSA-N 1 2 405.545 2.329 20 0 HEADLO Cc1cc(NC(=O)COC(=O)C[N@@H+](C)[C@H]2CCSC2)n(-c2ccc(F)cc2)n1 ZINC000772050220 1079671177 /nfs/dbraw/zinc/67/11/77/1079671177.db2.gz VXZUKBOXPYOBCV-INIZCTEOSA-N 1 2 406.483 2.239 20 0 HEADLO Cc1cc(NC(=O)COC(=O)C[N@H+](C)[C@H]2CCSC2)n(-c2ccc(F)cc2)n1 ZINC000772050220 1079671186 /nfs/dbraw/zinc/67/11/86/1079671186.db2.gz VXZUKBOXPYOBCV-INIZCTEOSA-N 1 2 406.483 2.239 20 0 HEADLO Cc1cc(NC(=O)COC(=O)C[N@@H+](C)[C@@H]2CCSC2)n(-c2ccc(F)cc2)n1 ZINC000772050223 1079671332 /nfs/dbraw/zinc/67/13/32/1079671332.db2.gz VXZUKBOXPYOBCV-MRXNPFEDSA-N 1 2 406.483 2.239 20 0 HEADLO Cc1cc(NC(=O)COC(=O)C[N@H+](C)[C@@H]2CCSC2)n(-c2ccc(F)cc2)n1 ZINC000772050223 1079671340 /nfs/dbraw/zinc/67/13/40/1079671340.db2.gz VXZUKBOXPYOBCV-MRXNPFEDSA-N 1 2 406.483 2.239 20 0 HEADLO Cc1cc(NC(=O)COC(=O)C[N@@H+](C)[C@H]2CCSC2)n(-c2ccc(C)cc2)n1 ZINC000772058331 1079677455 /nfs/dbraw/zinc/67/74/55/1079677455.db2.gz FEWMVLODUDVEMS-KRWDZBQOSA-N 1 2 402.520 2.408 20 0 HEADLO Cc1cc(NC(=O)COC(=O)C[N@H+](C)[C@H]2CCSC2)n(-c2ccc(C)cc2)n1 ZINC000772058331 1079677462 /nfs/dbraw/zinc/67/74/62/1079677462.db2.gz FEWMVLODUDVEMS-KRWDZBQOSA-N 1 2 402.520 2.408 20 0 HEADLO Cc1n[nH]c(C)c1C[C@@H](C)C(=O)OCC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000772092549 1079699336 /nfs/dbraw/zinc/69/93/36/1079699336.db2.gz XSSZAELEHNPCLS-CQSZACIVSA-N 1 2 404.536 2.154 20 0 HEADLO CCOC1CC(CNC(=O)/C=C\c2ccc(Br)o2)([NH+]2CCOCC2)C1 ZINC000767167468 1079703717 /nfs/dbraw/zinc/70/37/17/1079703717.db2.gz YVUXBVDQVXLRSK-XQRVVYSFSA-N 1 2 413.312 2.441 20 0 HEADLO CC(C)(C)OC(=O)N1CCSC[C@@H]1CC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000772101948 1079726307 /nfs/dbraw/zinc/72/63/07/1079726307.db2.gz SJKZAMKALQYZCZ-IRXDYDNUSA-N 1 2 413.584 2.052 20 0 HEADLO CN(C)c1ccc([NH+]2CCC(NC(=O)C(=O)Nc3ccnn3C(C)(C)C)CC2)cc1 ZINC000772237414 1079781120 /nfs/dbraw/zinc/78/11/20/1079781120.db2.gz RSNMQQVQIHBMLB-UHFFFAOYSA-N 1 2 412.538 2.428 20 0 HEADLO COc1cc(NC(=O)[C@H]2C[C@@H]2C)c(C(=O)OCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)cc1OC ZINC000767411680 1079837609 /nfs/dbraw/zinc/83/76/09/1079837609.db2.gz WTBMRCIJEXDVDL-JONQDZQNSA-N 1 2 418.490 2.318 20 0 HEADLO COc1cc(NC(=O)[C@H]2C[C@@H]2C)c(C(=O)OCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)cc1OC ZINC000767411680 1079837620 /nfs/dbraw/zinc/83/76/20/1079837620.db2.gz WTBMRCIJEXDVDL-JONQDZQNSA-N 1 2 418.490 2.318 20 0 HEADLO CSCC[C@H](NC(=O)c1cccc(C)c1)C(=O)OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000767453185 1079879611 /nfs/dbraw/zinc/87/96/11/1079879611.db2.gz WOQQUVINRQNDES-OTWHNJEPSA-N 1 2 406.548 2.253 20 0 HEADLO CSCC[C@H](NC(=O)c1cccc(C)c1)C(=O)OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000767453185 1079879615 /nfs/dbraw/zinc/87/96/15/1079879615.db2.gz WOQQUVINRQNDES-OTWHNJEPSA-N 1 2 406.548 2.253 20 0 HEADLO O=C(OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)[C@@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000767476170 1079894802 /nfs/dbraw/zinc/89/48/02/1079894802.db2.gz LIWIJWKYIZMTRJ-KFWWJZLASA-N 1 2 423.307 2.208 20 0 HEADLO O=C(OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)[C@@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000767476170 1079894805 /nfs/dbraw/zinc/89/48/05/1079894805.db2.gz LIWIJWKYIZMTRJ-KFWWJZLASA-N 1 2 423.307 2.208 20 0 HEADLO CCOC(=O)c1cnn(-c2ccc(C(=O)OCC[N@H+]3C[C@H]4CC[C@@H](C3)O4)cc2)c1C ZINC000767481826 1079899117 /nfs/dbraw/zinc/89/91/17/1079899117.db2.gz JDUMZAMILQPVHX-KDURUIRLSA-N 1 2 413.474 2.377 20 0 HEADLO CCOC(=O)c1cnn(-c2ccc(C(=O)OCC[N@@H+]3C[C@H]4CC[C@@H](C3)O4)cc2)c1C ZINC000767481826 1079899121 /nfs/dbraw/zinc/89/91/21/1079899121.db2.gz JDUMZAMILQPVHX-KDURUIRLSA-N 1 2 413.474 2.377 20 0 HEADLO CCOc1cc(NC2CC[NH+](CN3C[C@](C)(c4ccccn4)CC3=O)CC2)ncn1 ZINC000767521847 1079917448 /nfs/dbraw/zinc/91/74/48/1079917448.db2.gz ATUWXUKVOZSRGB-JOCHJYFZSA-N 1 2 410.522 2.294 20 0 HEADLO CCOc1cc(NC2CC[NH+](CN3C(=O)NC4(CCC(C)CC4)C3=O)CC2)ncn1 ZINC000767522717 1079917783 /nfs/dbraw/zinc/91/77/83/1079917783.db2.gz MYNDSZACVUSRNW-UHFFFAOYSA-N 1 2 416.526 2.210 20 0 HEADLO CCOc1cc(NC2CC[NH+](CN3C(=O)CN(c4ccccc4)C3=O)CC2)ncn1 ZINC000767523645 1079918600 /nfs/dbraw/zinc/91/86/00/1079918600.db2.gz KIQPTYPOJSOHFU-UHFFFAOYSA-N 1 2 410.478 2.178 20 0 HEADLO COc1ccccc1OCCOC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000767535566 1079936889 /nfs/dbraw/zinc/93/68/89/1079936889.db2.gz BNYFGZFNAPDDOD-UHFFFAOYSA-N 1 2 413.474 2.141 20 0 HEADLO Cc1cc2c(ncnc2N2CCC[C@@H]2C(=O)OCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)s1 ZINC000767576624 1079963690 /nfs/dbraw/zinc/96/36/90/1079963690.db2.gz MIKYBPHWQCDFSL-HLLBOEOZSA-N 1 2 402.520 2.375 20 0 HEADLO Cc1cc2c(ncnc2N2CCC[C@@H]2C(=O)OCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)s1 ZINC000767576624 1079963708 /nfs/dbraw/zinc/96/37/08/1079963708.db2.gz MIKYBPHWQCDFSL-HLLBOEOZSA-N 1 2 402.520 2.375 20 0 HEADLO O=C(OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)[C@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000767613783 1079990117 /nfs/dbraw/zinc/99/01/17/1079990117.db2.gz UEPNGIGHPDJUNC-SLFFLAALSA-N 1 2 402.491 2.442 20 0 HEADLO O=C(OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)[C@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000767613783 1079990125 /nfs/dbraw/zinc/99/01/25/1079990125.db2.gz UEPNGIGHPDJUNC-SLFFLAALSA-N 1 2 402.491 2.442 20 0 HEADLO C[C@H](NC(=O)N(C1CC1)[C@H]1CCN(C(=O)OC(C)(C)C)C1)[C@H](C)[NH+]1CCOCC1 ZINC000772602089 1080002951 /nfs/dbraw/zinc/00/29/51/1080002951.db2.gz SDPFRUFHPNURRR-BQFCYCMXSA-N 1 2 410.559 2.279 20 0 HEADLO CC(=O)N1CCCc2cc(S(=O)(=O)N3CCC[C@H](c4[nH+]ccn4C)C3)ccc21 ZINC000767655806 1080023041 /nfs/dbraw/zinc/02/30/41/1080023041.db2.gz NBEKLWJWXOUFLI-KRWDZBQOSA-N 1 2 402.520 2.288 20 0 HEADLO Cc1ccc(N(C(=O)C[N@H+](C)CC2CCOCC2)[C@H]2C=CS(=O)(=O)C2)cc1C ZINC000767709031 1080043573 /nfs/dbraw/zinc/04/35/73/1080043573.db2.gz UBDXASDJDGGFFT-FQEVSTJZSA-N 1 2 406.548 2.306 20 0 HEADLO Cc1ccc(N(C(=O)C[N@@H+](C)CC2CCOCC2)[C@H]2C=CS(=O)(=O)C2)cc1C ZINC000767709031 1080043577 /nfs/dbraw/zinc/04/35/77/1080043577.db2.gz UBDXASDJDGGFFT-FQEVSTJZSA-N 1 2 406.548 2.306 20 0 HEADLO COC(=O)c1ccc(C[NH+]2CCN(c3ccc(NS(C)(=O)=O)cc3)CC2)s1 ZINC000767733413 1080068903 /nfs/dbraw/zinc/06/89/03/1080068903.db2.gz DIFGRDKHQZJHKZ-UHFFFAOYSA-N 1 2 409.533 2.228 20 0 HEADLO Cn1cnnc1[C@H]1CCC[N@@H+]1C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000767755201 1080071120 /nfs/dbraw/zinc/07/11/20/1080071120.db2.gz GPOMVTGOQLKHMN-OTWHNJEPSA-N 1 2 415.538 2.449 20 0 HEADLO Cn1cnnc1[C@H]1CCC[N@H+]1C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000767755201 1080071125 /nfs/dbraw/zinc/07/11/25/1080071125.db2.gz GPOMVTGOQLKHMN-OTWHNJEPSA-N 1 2 415.538 2.449 20 0 HEADLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)C(=O)NCCCCOc2ccc(F)cc2)C1 ZINC000785609135 1080076987 /nfs/dbraw/zinc/07/69/87/1080076987.db2.gz PEXWWWIQWKRHTK-INIZCTEOSA-N 1 2 402.470 2.241 20 0 HEADLO CC(C)C(=O)NCC[N@H+](C)CC(=O)Nc1ccccc1C(=O)NCc1ccccc1 ZINC000767769558 1080078010 /nfs/dbraw/zinc/07/80/10/1080078010.db2.gz ZPQSTQPTBWXLCN-UHFFFAOYSA-N 1 2 410.518 2.259 20 0 HEADLO CC(C)C(=O)NCC[N@@H+](C)CC(=O)Nc1ccccc1C(=O)NCc1ccccc1 ZINC000767769558 1080078022 /nfs/dbraw/zinc/07/80/22/1080078022.db2.gz ZPQSTQPTBWXLCN-UHFFFAOYSA-N 1 2 410.518 2.259 20 0 HEADLO CC(C)(C)OC(=O)N1C[C@H]([N@@H+]2Cc3ccncc3C2)C[C@H]1C(=O)N1CCSC1 ZINC001170048219 1080080148 /nfs/dbraw/zinc/08/01/48/1080080148.db2.gz LHTPNHLGYZAAOM-SJORKVTESA-N 1 2 404.536 2.308 20 0 HEADLO CC(C)(C)OC(=O)N1C[C@H]([N@H+]2Cc3ccncc3C2)C[C@H]1C(=O)N1CCSC1 ZINC001170048219 1080080159 /nfs/dbraw/zinc/08/01/59/1080080159.db2.gz LHTPNHLGYZAAOM-SJORKVTESA-N 1 2 404.536 2.308 20 0 HEADLO CC(C)C(=O)NCC[N@H+](C)[C@@H](C)C(=O)Nc1ccccc1C(=O)NCc1ccco1 ZINC000767774509 1080081520 /nfs/dbraw/zinc/08/15/20/1080081520.db2.gz HDVZUDHFEMLRRP-INIZCTEOSA-N 1 2 414.506 2.241 20 0 HEADLO CC(C)C(=O)NCC[N@@H+](C)[C@@H](C)C(=O)Nc1ccccc1C(=O)NCc1ccco1 ZINC000767774509 1080081532 /nfs/dbraw/zinc/08/15/32/1080081532.db2.gz HDVZUDHFEMLRRP-INIZCTEOSA-N 1 2 414.506 2.241 20 0 HEADLO C[N@H+](CCOC(C)(C)C)CN1C(=O)N[C@](C)(c2cccc(N3CCOC3=O)c2)C1=O ZINC000767774857 1080082377 /nfs/dbraw/zinc/08/23/77/1080082377.db2.gz CWCLGWSBKFAADH-OAQYLSRUSA-N 1 2 418.494 2.115 20 0 HEADLO C[N@@H+](CCOC(C)(C)C)CN1C(=O)N[C@](C)(c2cccc(N3CCOC3=O)c2)C1=O ZINC000767774857 1080082385 /nfs/dbraw/zinc/08/23/85/1080082385.db2.gz CWCLGWSBKFAADH-OAQYLSRUSA-N 1 2 418.494 2.115 20 0 HEADLO CS(=O)(=O)Nc1ccc(N2CC[NH+](CC(=O)N(C3CC3)C3CCCC3)CC2)cc1 ZINC000767753308 1080085980 /nfs/dbraw/zinc/08/59/80/1080085980.db2.gz XQNUEDPLDSREJR-UHFFFAOYSA-N 1 2 420.579 2.114 20 0 HEADLO C[C@@H](C(=O)Nc1cccc(F)c1)[NH+]1CCN(c2ccc(NS(C)(=O)=O)cc2)CC1 ZINC000767753423 1080086192 /nfs/dbraw/zinc/08/61/92/1080086192.db2.gz ZEWLJGYZFBQUDB-HNNXBMFYSA-N 1 2 420.510 2.346 20 0 HEADLO C[C@]1(c2ccc(F)cc2Cl)NC(=O)N(C[N@@H+]2CCS[C@H]3COCC[C@@H]32)C1=O ZINC000767787868 1080094450 /nfs/dbraw/zinc/09/44/50/1080094450.db2.gz WCDPENBEDAULHR-RLFYNMQTSA-N 1 2 413.902 2.410 20 0 HEADLO C[C@]1(c2ccc(F)cc2Cl)NC(=O)N(C[N@H+]2CCS[C@H]3COCC[C@@H]32)C1=O ZINC000767787868 1080094456 /nfs/dbraw/zinc/09/44/56/1080094456.db2.gz WCDPENBEDAULHR-RLFYNMQTSA-N 1 2 413.902 2.410 20 0 HEADLO O=C(OCCSc1ccc(Cl)cc1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000785653045 1080109315 /nfs/dbraw/zinc/10/93/15/1080109315.db2.gz AAGQTYYCVYQGNO-HNNXBMFYSA-N 1 2 412.939 2.156 20 0 HEADLO C[C@@H](NC(=O)CNC(=O)C[NH+]1CCC(O)(c2ccccc2)CC1)c1ccc(F)cc1 ZINC000767859119 1080182426 /nfs/dbraw/zinc/18/24/26/1080182426.db2.gz QGSPSUAZOJWNOZ-QGZVFWFLSA-N 1 2 413.493 2.103 20 0 HEADLO O=C(COC(=O)[C@@H](O)Cc1ccccc1Cl)N1CC[NH+](Cc2ccsc2)CC1 ZINC000785724924 1080201256 /nfs/dbraw/zinc/20/12/56/1080201256.db2.gz HENJDPOWPXBTHN-SFHVURJKSA-N 1 2 422.934 2.193 20 0 HEADLO CO[C@H](CNC(=O)OC(C)(C)C)CC(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000767924719 1080217870 /nfs/dbraw/zinc/21/78/70/1080217870.db2.gz OATCUGRKMXQKLX-AEFFLSMTSA-N 1 2 406.527 2.217 20 0 HEADLO CO[C@@H](CNC(=O)OC(C)(C)C)CC(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000767924721 1080217893 /nfs/dbraw/zinc/21/78/93/1080217893.db2.gz OATCUGRKMXQKLX-SJLPKXTDSA-N 1 2 406.527 2.217 20 0 HEADLO Cc1cccc([C@@H](O)CNC(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)c1 ZINC000767934444 1080230248 /nfs/dbraw/zinc/23/02/48/1080230248.db2.gz TXSNOTBOWFLLNR-NRFANRHFSA-N 1 2 410.518 2.431 20 0 HEADLO CC(C)N(CCS(C)(=O)=O)C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000768088407 1080321956 /nfs/dbraw/zinc/32/19/56/1080321956.db2.gz BXNXOUNDHAQNRD-UHFFFAOYSA-N 1 2 410.584 2.186 20 0 HEADLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)[C@]2(NC(=O)OCc3ccccc3)CCOC2)C1 ZINC000768129276 1080364442 /nfs/dbraw/zinc/36/44/42/1080364442.db2.gz UVRPQMWHXMHEPV-AVRDEDQJSA-N 1 2 412.490 2.212 20 0 HEADLO COCC[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000768154646 1080373505 /nfs/dbraw/zinc/37/35/05/1080373505.db2.gz WYFFKZHWNDKGDM-OALUTQOASA-N 1 2 414.506 2.458 20 0 HEADLO C[C@@H](Nc1ccc(N(C)CCO)c[nH+]1)[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000768250341 1080439566 /nfs/dbraw/zinc/43/95/66/1080439566.db2.gz XWVFJJVQHLJGKV-XLIONFOSSA-N 1 2 414.506 2.348 20 0 HEADLO Cc1cc(N2CC[NH+](Cc3ccc(NC(=O)OC(C)(C)C)nc3)CC2)n2ncnc2n1 ZINC000768302028 1080472854 /nfs/dbraw/zinc/47/28/54/1080472854.db2.gz DKCGLPAJYKVMBT-UHFFFAOYSA-N 1 2 424.509 2.497 20 0 HEADLO CN(CCCn1cc[nH+]c1)C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC000768322680 1080485239 /nfs/dbraw/zinc/48/52/39/1080485239.db2.gz ATCNYPANGFLLJD-UHFFFAOYSA-N 1 2 410.927 2.483 20 0 HEADLO CS(=O)(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1I ZINC000768340861 1080497964 /nfs/dbraw/zinc/49/79/64/1080497964.db2.gz GOSZLIHFHHEAQK-CYBMUJFWSA-N 1 2 408.305 2.195 20 0 HEADLO CS(=O)(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1I ZINC000768340861 1080497979 /nfs/dbraw/zinc/49/79/79/1080497979.db2.gz GOSZLIHFHHEAQK-CYBMUJFWSA-N 1 2 408.305 2.195 20 0 HEADLO COC(=O)CCc1cccc(NC(=O)C(=O)NCCc2cn3cccc(C)c3[nH+]2)c1 ZINC000786350533 1080554670 /nfs/dbraw/zinc/55/46/70/1080554670.db2.gz WOMMZYOSRCZGMT-UHFFFAOYSA-N 1 2 408.458 2.046 20 0 HEADLO CCc1ccc([C@@]2(CC)NC(=O)N(C[NH+]3CCC(OCCOC)CC3)C2=O)cc1 ZINC000768484008 1080577446 /nfs/dbraw/zinc/57/74/46/1080577446.db2.gz NFXAVBVXNBEMEL-JOCHJYFZSA-N 1 2 403.523 2.491 20 0 HEADLO C[N@@H+]1CCN(C(=O)Nc2ccc(N3CCCC3)nc2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000768497927 1080593774 /nfs/dbraw/zinc/59/37/74/1080593774.db2.gz KRAJUSQZFRUGDI-QGZVFWFLSA-N 1 2 418.542 2.354 20 0 HEADLO C[N@H+]1CCN(C(=O)Nc2ccc(N3CCCC3)nc2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000768497927 1080593781 /nfs/dbraw/zinc/59/37/81/1080593781.db2.gz KRAJUSQZFRUGDI-QGZVFWFLSA-N 1 2 418.542 2.354 20 0 HEADLO COc1c(C)c[nH+]c(CNC(=O)C(=O)NCc2ccnc(N3CCCCC3)c2)c1C ZINC000786467582 1080611962 /nfs/dbraw/zinc/61/19/62/1080611962.db2.gz KWLRPWZTOOZPQI-UHFFFAOYSA-N 1 2 411.506 2.025 20 0 HEADLO CS(=O)(=O)c1cc(C(=O)Nc2ccccc2C[NH+]2CCC(O)CC2)ccc1F ZINC000786481711 1080623423 /nfs/dbraw/zinc/62/34/23/1080623423.db2.gz DRJCSTNFWQDCGX-UHFFFAOYSA-N 1 2 406.479 2.438 20 0 HEADLO COC(=O)c1cc(S(=O)(=O)N2C[C@@H](C)[N@H+](C)C[C@H]2C)c(Br)cc1F ZINC000768563988 1080633638 /nfs/dbraw/zinc/63/36/38/1080633638.db2.gz VPVWRLLMUSVXLX-NXEZZACHSA-N 1 2 423.304 2.088 20 0 HEADLO COC(=O)c1cc(S(=O)(=O)N2C[C@@H](C)[N@@H+](C)C[C@H]2C)c(Br)cc1F ZINC000768563988 1080633643 /nfs/dbraw/zinc/63/36/43/1080633643.db2.gz VPVWRLLMUSVXLX-NXEZZACHSA-N 1 2 423.304 2.088 20 0 HEADLO O=C(NCc1ccc(Cl)nc1)C(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000786602075 1080702618 /nfs/dbraw/zinc/70/26/18/1080702618.db2.gz IPPAAANABAZIHB-UHFFFAOYSA-N 1 2 404.873 2.225 20 0 HEADLO O=C(NCc1ccc(Cl)nc1)C(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000786602075 1080702622 /nfs/dbraw/zinc/70/26/22/1080702622.db2.gz IPPAAANABAZIHB-UHFFFAOYSA-N 1 2 404.873 2.225 20 0 HEADLO CN(CC[N@H+](C)CC(=O)NC[C@H]1CCN(c2ccccc2)C1)C(=O)OC(C)(C)C ZINC000768745140 1080768606 /nfs/dbraw/zinc/76/86/06/1080768606.db2.gz MXJDXUDADBFDQF-GOSISDBHSA-N 1 2 404.555 2.428 20 0 HEADLO CN(CC[N@@H+](C)CC(=O)NC[C@H]1CCN(c2ccccc2)C1)C(=O)OC(C)(C)C ZINC000768745140 1080768616 /nfs/dbraw/zinc/76/86/16/1080768616.db2.gz MXJDXUDADBFDQF-GOSISDBHSA-N 1 2 404.555 2.428 20 0 HEADLO O=S(=O)(/C=C\c1cccc(Cl)c1)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000768802658 1080779805 /nfs/dbraw/zinc/77/98/05/1080779805.db2.gz AYSJZAPFDAHWKB-UUASQNMZSA-N 1 2 421.954 2.232 20 0 HEADLO O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)OCc1ccc(OC(F)F)cc1 ZINC000786995222 1080906367 /nfs/dbraw/zinc/90/63/67/1080906367.db2.gz IRHKONMPAYZHQW-KRWDZBQOSA-N 1 2 412.433 2.045 20 0 HEADLO O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)OC[C@@H]1CCc2ccccc2C1 ZINC000787000149 1080913466 /nfs/dbraw/zinc/91/34/66/1080913466.db2.gz VVAQORUNQKMXMM-WIYYLYMNSA-N 1 2 400.519 2.048 20 0 HEADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@H]1c2ccccc2CCN1C(=O)OC(C)(C)C ZINC000769122451 1080944153 /nfs/dbraw/zinc/94/41/53/1080944153.db2.gz JRVIUHIPRUXDCC-QFBILLFUSA-N 1 2 403.523 2.358 20 0 HEADLO CCNC(=O)c1ccc(NC(=O)C[NH+]2CCC(NC(=O)OC(C)(C)C)CC2)cc1 ZINC000769128470 1080947212 /nfs/dbraw/zinc/94/72/12/1080947212.db2.gz UWMCOXIMEFKOJO-UHFFFAOYSA-N 1 2 404.511 2.364 20 0 HEADLO CC[N@H+](CC(=O)Nc1ccc(N2CCOCC2)cc1)Cc1cc(-c2cnn(C)c2)no1 ZINC000769215744 1081005085 /nfs/dbraw/zinc/00/50/85/1081005085.db2.gz LEDMPPADLXPQSL-UHFFFAOYSA-N 1 2 424.505 2.372 20 0 HEADLO CC[N@@H+](CC(=O)Nc1ccc(N2CCOCC2)cc1)Cc1cc(-c2cnn(C)c2)no1 ZINC000769215744 1081005096 /nfs/dbraw/zinc/00/50/96/1081005096.db2.gz LEDMPPADLXPQSL-UHFFFAOYSA-N 1 2 424.505 2.372 20 0 HEADLO Cc1cccn2cc(CCNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)OCc3ccccc3)[nH+]c12 ZINC000746639671 1081020771 /nfs/dbraw/zinc/02/07/71/1081020771.db2.gz HPESTURQUGFVID-UXHICEINSA-N 1 2 422.485 2.073 20 0 HEADLO C[N@@H+]1CCN(C(=O)c2ccc3c(c2)C(C)(C)C(=O)N3)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000769276516 1081028360 /nfs/dbraw/zinc/02/83/60/1081028360.db2.gz QHQQQZFUZFPNCQ-HNNXBMFYSA-N 1 2 416.522 2.197 20 0 HEADLO C[N@H+]1CCN(C(=O)c2ccc3c(c2)C(C)(C)C(=O)N3)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000769276516 1081028372 /nfs/dbraw/zinc/02/83/72/1081028372.db2.gz QHQQQZFUZFPNCQ-HNNXBMFYSA-N 1 2 416.522 2.197 20 0 HEADLO CN(C(=O)CN1CC[NH+]([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1)C1CCCCC1 ZINC000769320748 1081041588 /nfs/dbraw/zinc/04/15/88/1081041588.db2.gz WQWKDIQVLOYGLK-IBGZPJMESA-N 1 2 408.587 2.405 20 0 HEADLO Cc1noc(C)c1S(=O)(=O)N1CCC[N@H+](C[C@@H](O)c2ccc(F)cc2C)CC1 ZINC000746655713 1081042604 /nfs/dbraw/zinc/04/26/04/1081042604.db2.gz PXGAOJRBCMNDJP-GOSISDBHSA-N 1 2 411.499 2.169 20 0 HEADLO Cc1noc(C)c1S(=O)(=O)N1CCC[N@@H+](C[C@@H](O)c2ccc(F)cc2C)CC1 ZINC000746655713 1081042613 /nfs/dbraw/zinc/04/26/13/1081042613.db2.gz PXGAOJRBCMNDJP-GOSISDBHSA-N 1 2 411.499 2.169 20 0 HEADLO COC(=O)c1cccc(NC(=O)C[N@@H+]2CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)n1 ZINC000787206082 1081061569 /nfs/dbraw/zinc/06/15/69/1081061569.db2.gz WAWSQVFNCNQKPV-HNNXBMFYSA-N 1 2 420.510 2.386 20 0 HEADLO COC(=O)c1cccc(NC(=O)C[N@H+]2CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)n1 ZINC000787206082 1081061573 /nfs/dbraw/zinc/06/15/73/1081061573.db2.gz WAWSQVFNCNQKPV-HNNXBMFYSA-N 1 2 420.510 2.386 20 0 HEADLO C[NH+](C)[C@H](CNC(=O)CS[C@@H]1CCS(=O)(=O)C1)c1cccc(C(F)(F)F)c1 ZINC000769399722 1081062462 /nfs/dbraw/zinc/06/24/62/1081062462.db2.gz RLWRTPUEDPTXMA-HUUCEWRRSA-N 1 2 424.510 2.345 20 0 HEADLO C[NH+](C)[C@H](CNC(=O)CS[C@H]1CCS(=O)(=O)C1)c1cccc(C(F)(F)F)c1 ZINC000769399723 1081062567 /nfs/dbraw/zinc/06/25/67/1081062567.db2.gz RLWRTPUEDPTXMA-LSDHHAIUSA-N 1 2 424.510 2.345 20 0 HEADLO CCCOc1ccc(CNC(=O)C(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)cc1OC ZINC000787243120 1081067934 /nfs/dbraw/zinc/06/79/34/1081067934.db2.gz XPKCTUCXQCEUAB-QGZVFWFLSA-N 1 2 414.506 2.240 20 0 HEADLO Cc1nn(CC(=O)OC(C)C)c(C)c1C[N@H+](C)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000769422555 1081068915 /nfs/dbraw/zinc/06/89/15/1081068915.db2.gz JUQHMBMHISLEER-OAHLLOKOSA-N 1 2 404.433 2.047 20 0 HEADLO Cc1nn(CC(=O)OC(C)C)c(C)c1C[N@@H+](C)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000769422555 1081068922 /nfs/dbraw/zinc/06/89/22/1081068922.db2.gz JUQHMBMHISLEER-OAHLLOKOSA-N 1 2 404.433 2.047 20 0 HEADLO C[C@H]1CCCN(Cc2cnc(N3CC[NH+](C)CC3)nc2)[C@@H]1CNC(=O)OC(C)(C)C ZINC000769427278 1081070545 /nfs/dbraw/zinc/07/05/45/1081070545.db2.gz XECKNDPMZNNIQG-PKOBYXMFSA-N 1 2 418.586 2.354 20 0 HEADLO COC(=O)c1cccc(NC(=O)C[N@@H+]2CCC[C@@H]2CN(C)C(=O)OC(C)(C)C)n1 ZINC000787251015 1081071718 /nfs/dbraw/zinc/07/17/18/1081071718.db2.gz ANPOHOMROODVOZ-CQSZACIVSA-N 1 2 406.483 2.138 20 0 HEADLO COC(=O)c1cccc(NC(=O)C[N@H+]2CCC[C@@H]2CN(C)C(=O)OC(C)(C)C)n1 ZINC000787251015 1081071722 /nfs/dbraw/zinc/07/17/22/1081071722.db2.gz ANPOHOMROODVOZ-CQSZACIVSA-N 1 2 406.483 2.138 20 0 HEADLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)C(=O)NCc2ccnc(OC3CCCC3)c2)C1 ZINC000787255913 1081072915 /nfs/dbraw/zinc/07/29/15/1081072915.db2.gz BOTHIAPLMBVDTM-KRWDZBQOSA-N 1 2 411.506 2.159 20 0 HEADLO COc1ccc(OCc2ccccn2)c(CN2CC[NH+](CC[S@](C)=O)CC2)c1 ZINC000769477807 1081092577 /nfs/dbraw/zinc/09/25/77/1081092577.db2.gz BCLSRJZMNQISRU-NDEPHWFRSA-N 1 2 403.548 2.165 20 0 HEADLO COc1ccc(OCc2ccccn2)c(CN2CC[NH+](CC[S@@](C)=O)CC2)c1 ZINC000769477781 1081092659 /nfs/dbraw/zinc/09/26/59/1081092659.db2.gz BCLSRJZMNQISRU-MUUNZHRXSA-N 1 2 403.548 2.165 20 0 HEADLO C[S@@](=O)CC[NH+]1CCN(Cc2cc(Cl)ccc2OC[C@@H]2CCCO2)CC1 ZINC000769478633 1081093701 /nfs/dbraw/zinc/09/37/01/1081093701.db2.gz DZUBYOJKGUJHMD-HFJWLAOPSA-N 1 2 400.972 2.394 20 0 HEADLO COC(=O)c1cccc(NC(=O)C[NH+]2CCC(CNC(=O)OC(C)(C)C)CC2)n1 ZINC000787263873 1081098706 /nfs/dbraw/zinc/09/87/06/1081098706.db2.gz XSSQYLWAHIYCSI-UHFFFAOYSA-N 1 2 406.483 2.043 20 0 HEADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(Cl)nc2c1COC2(C)C ZINC001164706499 719848134 /nfs/dbraw/zinc/84/81/34/719848134.db2.gz XMINDKFUWBAXHD-XCLFUZPHSA-N 1 2 424.929 2.128 20 0 HEADLO CCc1c(Cl)nnc(N2CC[C@H]([NH+]3CCOCC3)C[C@]2(C)C(=O)OC)c1CC ZINC001164702912 719855402 /nfs/dbraw/zinc/85/54/02/719855402.db2.gz OHFQPRASGNYDSU-VBKZILBWSA-N 1 2 410.946 2.488 20 0 HEADLO CCCN(CCC)c1cncc(N2CC[C@@H]([NH+]3CCOCC3)C[C@@]2(C)C(=O)OC)n1 ZINC001164706698 719862689 /nfs/dbraw/zinc/86/26/89/719862689.db2.gz YMPCYTQYUXJWRD-GCJKJVERSA-N 1 2 419.570 2.336 20 0 HEADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3cc(C4CCCCC4)nc(C)n3)C2)C1 ZINC001164721516 720278777 /nfs/dbraw/zinc/27/87/77/720278777.db2.gz KNJHHUPGKZPFPN-HSZRJFAPSA-N 1 2 415.582 2.498 20 0 HEADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3cc(C4CCCCC4)nc(C)n3)C2)C1 ZINC001164721516 720278786 /nfs/dbraw/zinc/27/87/86/720278786.db2.gz KNJHHUPGKZPFPN-HSZRJFAPSA-N 1 2 415.582 2.498 20 0 HEADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3ncc(F)c(-c4ccsc4)n3)C2)C1 ZINC001164723774 720307028 /nfs/dbraw/zinc/30/70/28/720307028.db2.gz PERMXUWYXZFYHM-HXUWFJFHSA-N 1 2 419.526 2.009 20 0 HEADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3ncc(F)c(-c4ccsc4)n3)C2)C1 ZINC001164723774 720307031 /nfs/dbraw/zinc/30/70/31/720307031.db2.gz PERMXUWYXZFYHM-HXUWFJFHSA-N 1 2 419.526 2.009 20 0 HEADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ncc(Cl)cn4)CC3)C2=O)cs1 ZINC001164821460 720357515 /nfs/dbraw/zinc/35/75/15/720357515.db2.gz AJPKOZSPVWSTBK-UHFFFAOYSA-N 1 2 406.943 2.208 20 0 HEADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ncc(Cl)cn4)CC3)C2=O)cs1 ZINC001164821460 720357520 /nfs/dbraw/zinc/35/75/20/720357520.db2.gz AJPKOZSPVWSTBK-UHFFFAOYSA-N 1 2 406.943 2.208 20 0 HEADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nc(C)ncc4F)CC3)C2=O)cs1 ZINC001164824062 720363420 /nfs/dbraw/zinc/36/34/20/720363420.db2.gz HZYWPCADUVLSEU-UHFFFAOYSA-N 1 2 404.515 2.002 20 0 HEADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nc(C)ncc4F)CC3)C2=O)cs1 ZINC001164824062 720363432 /nfs/dbraw/zinc/36/34/32/720363432.db2.gz HZYWPCADUVLSEU-UHFFFAOYSA-N 1 2 404.515 2.002 20 0 HEADLO Cc1c[nH]c2nc(N3Cc4ncn(C)c4[C@H](COCC[NH+]4CCOCC4)C3)ccc12 ZINC001164826975 720442886 /nfs/dbraw/zinc/44/28/86/720442886.db2.gz XKCMCVCCUPBECD-KRWDZBQOSA-N 1 2 410.522 2.057 20 0 HEADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1nccc3ccsc31)C2 ZINC001164827142 720443863 /nfs/dbraw/zinc/44/38/63/720443863.db2.gz ZHEFFNUGRZMZNY-QGZVFWFLSA-N 1 2 413.547 2.482 20 0 HEADLO Cc1cccc2ncnc(N3Cc4ncn(C)c4[C@@H](COCC[NH+]4CCOCC4)C3)c12 ZINC001164830628 720455446 /nfs/dbraw/zinc/45/54/46/720455446.db2.gz KMAFBVPWSRGQMQ-GOSISDBHSA-N 1 2 422.533 2.124 20 0 HEADLO Cc1cc(C(F)(F)N2CCCn3c(=O)cc(Cn4cc[nH+]c4)nc3C2)c(Cl)nn1 ZINC001164856921 720896202 /nfs/dbraw/zinc/89/62/02/720896202.db2.gz IBMJZYXIXGWKTH-UHFFFAOYSA-N 1 2 421.839 2.195 20 0 HEADLO NC(=O)c1cc(Cl)ncc1C(F)(F)N1C[C@@H]2C[NH+](Cc3nccs3)C[C@H]2C1 ZINC001164781858 721423007 /nfs/dbraw/zinc/42/30/07/721423007.db2.gz FMDNTUCHFDACDY-QWRGUYRKSA-N 1 2 413.881 2.404 20 0 HEADLO CCOC(=O)c1cnc(Cl)nc1N1CCCn2c(C[N@H+](C)C(C)C)nnc2C1 ZINC001165010198 721694289 /nfs/dbraw/zinc/69/42/89/721694289.db2.gz TYUBSEVASVQTQW-UHFFFAOYSA-N 1 2 407.906 2.149 20 0 HEADLO CCOC(=O)c1cnc(Cl)nc1N1CCCn2c(C[N@@H+](C)C(C)C)nnc2C1 ZINC001165010198 721694291 /nfs/dbraw/zinc/69/42/91/721694291.db2.gz TYUBSEVASVQTQW-UHFFFAOYSA-N 1 2 407.906 2.149 20 0 HEADLO F[C@H](Oc1ccnc(Cl)c1)N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164910395 721776408 /nfs/dbraw/zinc/77/64/08/721776408.db2.gz BMRAJJUFSRFSSE-VQTJNVASSA-N 1 2 422.888 2.365 20 0 HEADLO F[C@H](Oc1ccnc(Cl)c1)N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164910395 721776410 /nfs/dbraw/zinc/77/64/10/721776410.db2.gz BMRAJJUFSRFSSE-VQTJNVASSA-N 1 2 422.888 2.365 20 0 HEADLO COc1cc(Cl)nc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c1 ZINC001164912853 721780217 /nfs/dbraw/zinc/78/02/17/721780217.db2.gz QVRHCVWYDDLZCE-FQEVSTJZSA-N 1 2 404.898 2.246 20 0 HEADLO COc1cc(Cl)nc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c1 ZINC001164912853 721780221 /nfs/dbraw/zinc/78/02/21/721780221.db2.gz QVRHCVWYDDLZCE-FQEVSTJZSA-N 1 2 404.898 2.246 20 0 HEADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2ncc(C(=O)N(C)C)cc2Cl)CC1 ZINC001164917099 721819576 /nfs/dbraw/zinc/81/95/76/721819576.db2.gz BGHRRBZXCUMCNZ-UHFFFAOYSA-N 1 2 402.930 2.383 20 0 HEADLO CCc1nc(N2CCO[C@@]3(C2)COCCN(Cc2csc(C)n2)C3)cc(C)[nH+]1 ZINC001164922410 721832374 /nfs/dbraw/zinc/83/23/74/721832374.db2.gz OUCKFLGXCROHCG-FQEVSTJZSA-N 1 2 403.552 2.220 20 0 HEADLO CN(C)c1cc(Cl)nc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)n1 ZINC001164946870 721975223 /nfs/dbraw/zinc/97/52/23/721975223.db2.gz LUQGFYZFOSDPKV-UHFFFAOYSA-N 1 2 414.941 2.167 20 0 HEADLO CN(C)c1cc(Cl)nc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)n1 ZINC001164946870 721975227 /nfs/dbraw/zinc/97/52/27/721975227.db2.gz LUQGFYZFOSDPKV-UHFFFAOYSA-N 1 2 414.941 2.167 20 0 HEADLO Nc1cc(F)c(Cl)nc1N1CCC2(CC1)C(=O)NCC[N@H+]2Cc1ccccc1 ZINC001164945783 721977026 /nfs/dbraw/zinc/97/70/26/721977026.db2.gz FYROPPCQHSDWME-UHFFFAOYSA-N 1 2 403.889 2.427 20 0 HEADLO Nc1cc(F)c(Cl)nc1N1CCC2(CC1)C(=O)NCC[N@@H+]2Cc1ccccc1 ZINC001164945783 721977029 /nfs/dbraw/zinc/97/70/29/721977029.db2.gz FYROPPCQHSDWME-UHFFFAOYSA-N 1 2 403.889 2.427 20 0 HEADLO CC(C)COc1cncc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)n1 ZINC001164948360 721978810 /nfs/dbraw/zinc/97/88/10/721978810.db2.gz LFTHNXQWRMBNHH-UHFFFAOYSA-N 1 2 409.534 2.482 20 0 HEADLO CC(C)COc1cncc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)n1 ZINC001164948360 721978814 /nfs/dbraw/zinc/97/88/14/721978814.db2.gz LFTHNXQWRMBNHH-UHFFFAOYSA-N 1 2 409.534 2.482 20 0 HEADLO COc1cccc(/C=C(/C(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)n2nnnc2C)c1 ZINC000769751314 1078538677 /nfs/dbraw/zinc/53/86/77/1078538677.db2.gz AMIWCLOKUPUPQH-NFBGKYEXSA-N 1 2 407.478 2.128 20 0 HEADLO COc1cccc(/C=C(\C(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)n2nnnc2C)c1 ZINC000769751306 1078538714 /nfs/dbraw/zinc/53/87/14/1078538714.db2.gz AMIWCLOKUPUPQH-HNMKQIAWSA-N 1 2 407.478 2.128 20 0 HEADLO Cc1cc(F)cc(C(=O)OCC(=O)NCc2ccccc2C[NH+]2CCOCC2)c1 ZINC000745568259 1078542276 /nfs/dbraw/zinc/54/22/76/1078542276.db2.gz DUVLMEMWJXPVFF-UHFFFAOYSA-N 1 2 400.450 2.440 20 0 HEADLO Cc1cc(N2CCN(C(=O)COC(=O)[C@@H](C)C(F)(F)F)CC2)nc(C(C)C)[nH+]1 ZINC000745619042 1078561458 /nfs/dbraw/zinc/56/14/58/1078561458.db2.gz IUPUVXGRCPZYFP-CYBMUJFWSA-N 1 2 402.417 2.299 20 0 HEADLO C[C@H]1CC[C@H](CCC(=O)OCC(=O)NCc2ccccc2C[NH+]2CCOCC2)O1 ZINC000745710786 1078603223 /nfs/dbraw/zinc/60/32/23/1078603223.db2.gz FHPROKUBXCSITC-FXAWDEMLSA-N 1 2 404.507 2.026 20 0 HEADLO C[C@H](NC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1)c1ccc(N2CCOC2=O)cc1 ZINC000745781658 1078640780 /nfs/dbraw/zinc/64/07/80/1078640780.db2.gz OUVGBRGIGVHIHJ-QFBILLFUSA-N 1 2 402.495 2.210 20 0 HEADLO C[C@@H](NC(=O)N1CCC[C@H]1C[NH+]1CCOCC1)c1ccc(N2CCOC2=O)cc1 ZINC000745781656 1078640818 /nfs/dbraw/zinc/64/08/18/1078640818.db2.gz OUVGBRGIGVHIHJ-APWZRJJASA-N 1 2 402.495 2.210 20 0 HEADLO COC(=O)/C=C1/SCC(=O)N1CCCN1CC[NH+]([C@H](C)c2cccc(F)c2)CC1 ZINC000769929781 1078662836 /nfs/dbraw/zinc/66/28/36/1078662836.db2.gz ZIHKDNNGWHXVAO-ZGPWBKFBSA-N 1 2 421.538 2.484 20 0 HEADLO CS(=O)(=O)CCOc1cccc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccn2)c1 ZINC000746197603 1078816119 /nfs/dbraw/zinc/81/61/19/1078816119.db2.gz PNIUSYCDVYWOQL-IBGZPJMESA-N 1 2 403.504 2.108 20 0 HEADLO CS(=O)(=O)CCOc1cccc(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccccn2)c1 ZINC000746197603 1078816120 /nfs/dbraw/zinc/81/61/20/1078816120.db2.gz PNIUSYCDVYWOQL-IBGZPJMESA-N 1 2 403.504 2.108 20 0 HEADLO Fc1ccc(-c2nnc(SC[C@H]3CCOCO3)n2CC[NH+]2CCOCC2)cc1 ZINC000746203666 1078817652 /nfs/dbraw/zinc/81/76/52/1078817652.db2.gz PDWFCBJUMATLQV-QGZVFWFLSA-N 1 2 408.499 2.272 20 0 HEADLO NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(NC(=O)c2ccc3c(c2)[nH]c(=S)[nH]c3=O)c1 ZINC000746236122 1078827975 /nfs/dbraw/zinc/82/79/75/1078827975.db2.gz QTLLBTBDUDUOFK-KRWDZBQOSA-N 1 2 423.498 2.326 20 0 HEADLO NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(NC(=O)c2ccc3c(c2)[nH]c(=S)[nH]c3=O)c1 ZINC000746236122 1078827979 /nfs/dbraw/zinc/82/79/79/1078827979.db2.gz QTLLBTBDUDUOFK-KRWDZBQOSA-N 1 2 423.498 2.326 20 0 HEADLO O=C(NCCN1C(=O)S/C(=C\c2ccccc2F)C1=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000746285558 1078836075 /nfs/dbraw/zinc/83/60/75/1078836075.db2.gz RFDQSQGQKOLBDJ-HNDQUVLASA-N 1 2 414.462 2.437 20 0 HEADLO CCOCCCNC(=O)C1CC[NH+](CN2C(=S)N=NC2Cc2cccs2)CC1 ZINC000746502771 1078847776 /nfs/dbraw/zinc/84/77/76/1078847776.db2.gz LCCBATBQWIYXRZ-UHFFFAOYSA-N 1 2 423.608 2.431 20 0 HEADLO COc1c(C)c[nH+]c(CNC(=O)N(C)[C@@H](C)c2cccc(S(N)(=O)=O)c2)c1C ZINC000770440518 1078855154 /nfs/dbraw/zinc/85/51/54/1078855154.db2.gz ONQMGGFSJJOIJY-AWEZNQCLSA-N 1 2 406.508 2.257 20 0 HEADLO COc1cccc(/C=C(/C(=O)N2CCC([N@H+](C)CC(F)F)CC2)n2nnnc2C)c1 ZINC000746323134 1078858370 /nfs/dbraw/zinc/85/83/70/1078858370.db2.gz FBZXRQJZIXCCDZ-PDGQHHTCSA-N 1 2 420.464 2.176 20 0 HEADLO COc1cccc(/C=C(/C(=O)N2CCC([N@@H+](C)CC(F)F)CC2)n2nnnc2C)c1 ZINC000746323134 1078858373 /nfs/dbraw/zinc/85/83/73/1078858373.db2.gz FBZXRQJZIXCCDZ-PDGQHHTCSA-N 1 2 420.464 2.176 20 0 HEADLO Cc1ccc(C)c(S(=O)(=O)NCCC(=O)N2CCC([N@H+](C)CC(F)F)CC2)c1 ZINC000746324821 1078859493 /nfs/dbraw/zinc/85/94/93/1078859493.db2.gz SLZUVVLIXVLIMR-UHFFFAOYSA-N 1 2 417.522 2.160 20 0 HEADLO Cc1ccc(C)c(S(=O)(=O)NCCC(=O)N2CCC([N@@H+](C)CC(F)F)CC2)c1 ZINC000746324821 1078859497 /nfs/dbraw/zinc/85/94/97/1078859497.db2.gz SLZUVVLIXVLIMR-UHFFFAOYSA-N 1 2 417.522 2.160 20 0 HEADLO CC(C)(C)OC(=O)NC[C@@H](NC(=O)NCC[N@@H+]1CCOC(C)(C)C1)C1CCCC1 ZINC000770468971 1078866816 /nfs/dbraw/zinc/86/68/16/1078866816.db2.gz AAKPZGFYKOLIGW-QGZVFWFLSA-N 1 2 412.575 2.480 20 0 HEADLO CC(C)(C)OC(=O)NC[C@@H](NC(=O)NCC[N@H+]1CCOC(C)(C)C1)C1CCCC1 ZINC000770468971 1078866819 /nfs/dbraw/zinc/86/68/19/1078866819.db2.gz AAKPZGFYKOLIGW-QGZVFWFLSA-N 1 2 412.575 2.480 20 0 HEADLO COc1ccc([C@@H]2CCC[N@@H+]2CN2C(=O)C[C@H](Cc3cnn(C)c3)C2=O)c(OC)c1 ZINC000746373848 1078880522 /nfs/dbraw/zinc/88/05/22/1078880522.db2.gz BZMUVGAPQHWJTN-LPHOPBHVSA-N 1 2 412.490 2.150 20 0 HEADLO COc1ccc([C@@H]2CCC[N@H+]2CN2C(=O)C[C@H](Cc3cnn(C)c3)C2=O)c(OC)c1 ZINC000746373848 1078880525 /nfs/dbraw/zinc/88/05/25/1078880525.db2.gz BZMUVGAPQHWJTN-LPHOPBHVSA-N 1 2 412.490 2.150 20 0 HEADLO Cn1cc(C[C@@H]2CC(=O)N(C[N@H+](CCc3ccccc3)Cc3ccncc3)C2=O)cn1 ZINC000746378429 1078884474 /nfs/dbraw/zinc/88/44/74/1078884474.db2.gz YEETVOKJMYMPPK-JOCHJYFZSA-N 1 2 417.513 2.435 20 0 HEADLO Cn1cc(C[C@@H]2CC(=O)N(C[N@@H+](CCc3ccccc3)Cc3ccncc3)C2=O)cn1 ZINC000746378429 1078884478 /nfs/dbraw/zinc/88/44/78/1078884478.db2.gz YEETVOKJMYMPPK-JOCHJYFZSA-N 1 2 417.513 2.435 20 0 HEADLO Cc1ccc(CC[N@H+](C[C@@H]2CCCO2)CN2C(=O)C[C@@H](Cc3cnn(C)c3)C2=O)cc1 ZINC000746380577 1078885829 /nfs/dbraw/zinc/88/58/29/1078885829.db2.gz TUVDFGYKGRWCIO-YADHBBJMSA-N 1 2 424.545 2.327 20 0 HEADLO Cc1ccc(CC[N@@H+](C[C@@H]2CCCO2)CN2C(=O)C[C@@H](Cc3cnn(C)c3)C2=O)cc1 ZINC000746380577 1078885830 /nfs/dbraw/zinc/88/58/30/1078885830.db2.gz TUVDFGYKGRWCIO-YADHBBJMSA-N 1 2 424.545 2.327 20 0 HEADLO CC[C@@]1(c2ccc(Cl)cc2)NC(=O)N(C[NH+]2CCC(CC(=O)NC)CC2)C1=O ZINC000746384390 1078888853 /nfs/dbraw/zinc/88/88/53/1078888853.db2.gz KUXLOBCBENJGCS-FQEVSTJZSA-N 1 2 406.914 2.303 20 0 HEADLO CCOC(=O)N1CC[C@@H](NC(=O)N2CC[NH+](Cc3cc(C)ccc3OC)CC2)C1 ZINC000770537419 1078889399 /nfs/dbraw/zinc/88/93/99/1078889399.db2.gz KGAYPBBXARTBQB-GOSISDBHSA-N 1 2 404.511 2.062 20 0 HEADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)C(=O)Nc1ccnn1CC1CC1 ZINC000746423675 1078920667 /nfs/dbraw/zinc/92/06/67/1078920667.db2.gz WZZVDPZFCHWOKH-UHFFFAOYSA-N 1 2 410.522 2.392 20 0 HEADLO COCCN(CC(=O)Nc1ccc(N2CCOCC2)[nH+]c1C)C(=O)OC(C)(C)C ZINC000770668018 1078925862 /nfs/dbraw/zinc/92/58/62/1078925862.db2.gz YTJFRVKUGOKAQV-UHFFFAOYSA-N 1 2 408.499 2.049 20 0 HEADLO C[C@H]([C@H](C)NC(=O)[C@H]1CCCN(C(=O)OCc2ccccc2)C1)[NH+]1CCOCC1 ZINC000766380467 1078930592 /nfs/dbraw/zinc/93/05/92/1078930592.db2.gz SXZHJVVGGFYJQL-NSHGMRRFSA-N 1 2 403.523 2.261 20 0 HEADLO CCOC(=O)C1=C(C[NH2+][C@H](CO)c2ccsc2)NC(=O)N[C@@H]1c1ccccc1 ZINC000770686457 1078934622 /nfs/dbraw/zinc/93/46/22/1078934622.db2.gz FYYUTDBMXYLAOF-SJLPKXTDSA-N 1 2 401.488 2.242 20 0 HEADLO CC1(C)C[N@H+](CCNC(=O)[C@@H]2CCCN(C(=O)OCc3ccccc3)C2)CCO1 ZINC000766371258 1078938133 /nfs/dbraw/zinc/93/81/33/1078938133.db2.gz SPUMJFDBYGEKJH-LJQANCHMSA-N 1 2 403.523 2.262 20 0 HEADLO CC1(C)C[N@@H+](CCNC(=O)[C@@H]2CCCN(C(=O)OCc3ccccc3)C2)CCO1 ZINC000766371258 1078938135 /nfs/dbraw/zinc/93/81/35/1078938135.db2.gz SPUMJFDBYGEKJH-LJQANCHMSA-N 1 2 403.523 2.262 20 0 HEADLO O=C(CS[C@H]1CCS(=O)(=O)C1)NC[C@H]([NH2+]Cc1ccccc1)c1ccco1 ZINC000804272042 1078946900 /nfs/dbraw/zinc/94/69/00/1078946900.db2.gz ZYTASINVWXYZSL-IRXDYDNUSA-N 1 2 408.545 2.147 20 0 HEADLO COC(=O)c1cc(S(=O)(=O)N2CC[N@H+](C)[C@H](C)[C@H]2C)c(Br)cc1F ZINC000770723608 1078951376 /nfs/dbraw/zinc/95/13/76/1078951376.db2.gz ORCVYWFZXFYWSI-NXEZZACHSA-N 1 2 423.304 2.088 20 0 HEADLO COC(=O)c1cc(S(=O)(=O)N2CC[N@@H+](C)[C@H](C)[C@H]2C)c(Br)cc1F ZINC000770723608 1078951388 /nfs/dbraw/zinc/95/13/88/1078951388.db2.gz ORCVYWFZXFYWSI-NXEZZACHSA-N 1 2 423.304 2.088 20 0 HEADLO CC(C)(C)n1ncc2c1nc[nH+]c2NC[C@H](O)COc1ccc2c(c1)CCC(=O)N2 ZINC000766405174 1078955130 /nfs/dbraw/zinc/95/51/30/1078955130.db2.gz RJSYDGOYDJIJEE-AWEZNQCLSA-N 1 2 410.478 2.318 20 0 HEADLO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc(S(C)(=O)=O)sc2Cl)C[C@H]1C ZINC000770690467 1078958393 /nfs/dbraw/zinc/95/83/93/1078958393.db2.gz YKRGYKALGRTQGI-GHMZBOCLSA-N 1 2 415.002 2.298 20 0 HEADLO CC[N@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc(S(C)(=O)=O)sc2Cl)C[C@H]1C ZINC000770690467 1078958400 /nfs/dbraw/zinc/95/84/00/1078958400.db2.gz YKRGYKALGRTQGI-GHMZBOCLSA-N 1 2 415.002 2.298 20 0 HEADLO Fc1cccc(CNc2nc(NCc3cccc(F)n3)[nH+]c(N3CCOCC3)n2)n1 ZINC000766424165 1078974537 /nfs/dbraw/zinc/97/45/37/1078974537.db2.gz AZFAUOHIFFNYSL-UHFFFAOYSA-N 1 2 414.420 2.001 20 0 HEADLO CC(C)(C)n1ncc2c1nc[nH+]c2N1CCO[C@@H](CN2C(=O)c3ccccc3C2=O)C1 ZINC000766425619 1078978680 /nfs/dbraw/zinc/97/86/80/1078978680.db2.gz WBHWHADHZFWKFB-CQSZACIVSA-N 1 2 420.473 2.083 20 0 HEADLO CCC[C@@H]1CN(c2nc(CS(C)(=O)=O)nc(Cl)c2CC)CC[N@@H+]1CCOC ZINC000766427073 1078978990 /nfs/dbraw/zinc/97/89/90/1078978990.db2.gz CBZWWHBMBCGEEJ-CQSZACIVSA-N 1 2 418.991 2.174 20 0 HEADLO CCC[C@@H]1CN(c2nc(CS(C)(=O)=O)nc(Cl)c2CC)CC[N@H+]1CCOC ZINC000766427073 1078978996 /nfs/dbraw/zinc/97/89/96/1078978996.db2.gz CBZWWHBMBCGEEJ-CQSZACIVSA-N 1 2 418.991 2.174 20 0 HEADLO Cn1ncc(NC(=O)C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)c1C1CC1 ZINC000770767641 1078987660 /nfs/dbraw/zinc/98/76/60/1078987660.db2.gz ZRTDXLCMNZFLEE-DOTOQJQBSA-N 1 2 403.433 2.076 20 0 HEADLO Cn1ncc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)c1C1CC1 ZINC000770767641 1078987667 /nfs/dbraw/zinc/98/76/67/1078987667.db2.gz ZRTDXLCMNZFLEE-DOTOQJQBSA-N 1 2 403.433 2.076 20 0 HEADLO Cn1ncc(NC(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)c1C1CC1 ZINC000770767644 1078987886 /nfs/dbraw/zinc/98/78/86/1078987886.db2.gz ZRTDXLCMNZFLEE-WBVHZDCISA-N 1 2 403.433 2.076 20 0 HEADLO Cn1ncc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)c1C1CC1 ZINC000770767644 1078987890 /nfs/dbraw/zinc/98/78/90/1078987890.db2.gz ZRTDXLCMNZFLEE-WBVHZDCISA-N 1 2 403.433 2.076 20 0 HEADLO CN(CC(=O)NCc1ccccc1C[NH+]1CCOCC1)Cc1ccc(Cl)nc1 ZINC000746448499 1078989750 /nfs/dbraw/zinc/98/97/50/1078989750.db2.gz CDOOQDZSJVBNDM-UHFFFAOYSA-N 1 2 402.926 2.315 20 0 HEADLO Cc1ccc(-c2csc(NC(=O)CN3CC[NH+](CC[S@@](C)=O)CC3)n2)cc1C ZINC000746470424 1079020951 /nfs/dbraw/zinc/02/09/51/1079020951.db2.gz WQDXJTXUBWZJMN-MUUNZHRXSA-N 1 2 420.604 2.362 20 0 HEADLO Cc1ccc(-c2csc(NC(=O)CN3CC[NH+](CC[S@@](C)=O)CC3)n2)cc1 ZINC000746472294 1079021783 /nfs/dbraw/zinc/02/17/83/1079021783.db2.gz DDPVULFVOBVVRB-HHHXNRCGSA-N 1 2 406.577 2.053 20 0 HEADLO C[S@](=O)CC[NH+]1CCN(CC(=O)Nc2ccc(Br)cc2Cl)CC1 ZINC000746476685 1079031339 /nfs/dbraw/zinc/03/13/39/1079031339.db2.gz XBXHRDDJXXJVII-QHCPKHFHSA-N 1 2 422.776 2.037 20 0 HEADLO C[C@@H]1C[C@@H]([N@@H+]2CCCn3nnc(Cn4ccnc4)c3C2)CN1C(=O)OC(C)(C)C ZINC001168852331 1079052180 /nfs/dbraw/zinc/05/21/80/1079052180.db2.gz BNXFYYWZIJLHRH-HZPDHXFCSA-N 1 2 401.515 2.127 20 0 HEADLO C[C@@H]1C[C@@H]([N@H+]2CCCn3nnc(Cn4ccnc4)c3C2)CN1C(=O)OC(C)(C)C ZINC001168852331 1079052183 /nfs/dbraw/zinc/05/21/83/1079052183.db2.gz BNXFYYWZIJLHRH-HZPDHXFCSA-N 1 2 401.515 2.127 20 0 HEADLO O=C(OCc1cccc2[nH+]ccn21)c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1 ZINC000770921227 1079081313 /nfs/dbraw/zinc/08/13/13/1079081313.db2.gz NOFKFVHMNSXXON-QGZVFWFLSA-N 1 2 415.471 2.149 20 0 HEADLO O=C(Cc1ccc(S(=O)(=O)N2CCCC2)s1)OCc1cccc2[nH+]ccn21 ZINC000770922348 1079081705 /nfs/dbraw/zinc/08/17/05/1079081705.db2.gz MJMPUYBNZYNRBK-UHFFFAOYSA-N 1 2 405.501 2.466 20 0 HEADLO CSCC[C@H](NS(=O)(=O)c1ccccc1)C(=O)OCc1cccc2[nH+]ccn21 ZINC000770922240 1079081789 /nfs/dbraw/zinc/08/17/89/1079081789.db2.gz ZNBOUMCLDBFPPQ-KRWDZBQOSA-N 1 2 419.528 2.478 20 0 HEADLO CN(CCCC(=O)OCc1cccc2[nH+]ccn21)C1=NS(=O)(=O)c2ccccc21 ZINC000770922857 1079082212 /nfs/dbraw/zinc/08/22/12/1079082212.db2.gz URNIBGRVKMSTMO-UHFFFAOYSA-N 1 2 412.471 2.239 20 0 HEADLO CCOC(=O)c1nc2c(o1)CC[N@@H+]([C@H]1CCN(Cc3ccc(OC)cc3)C(=O)C1)C2 ZINC001168945001 1079082793 /nfs/dbraw/zinc/08/27/93/1079082793.db2.gz CUCORWCJXNAHFG-INIZCTEOSA-N 1 2 413.474 2.409 20 0 HEADLO CCOC(=O)c1nc2c(o1)CC[N@H+]([C@H]1CCN(Cc3ccc(OC)cc3)C(=O)C1)C2 ZINC001168945001 1079082801 /nfs/dbraw/zinc/08/28/01/1079082801.db2.gz CUCORWCJXNAHFG-INIZCTEOSA-N 1 2 413.474 2.409 20 0 HEADLO Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)OCc2cccc3[nH+]ccn32)CC1 ZINC000770924928 1079083168 /nfs/dbraw/zinc/08/31/68/1079083168.db2.gz KXYIRKCVAGDEGV-UHFFFAOYSA-N 1 2 418.475 2.083 20 0 HEADLO C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N1CCO[C@H](C[NH+]2CCOCC2)C1 ZINC001169004529 1079097652 /nfs/dbraw/zinc/09/76/52/1079097652.db2.gz ZECIDBQSJXCSOB-MAUKXSAKSA-N 1 2 400.441 2.444 20 0 HEADLO O=C(Nc1c[nH]nc1[C@H]1CCC[N@H+](C[C@@H]2CCCS2(=O)=O)C1)c1ccccc1 ZINC001169187951 1079177736 /nfs/dbraw/zinc/17/77/36/1079177736.db2.gz NRXRUXFHMOLGSQ-IRXDYDNUSA-N 1 2 402.520 2.419 20 0 HEADLO O=C(Nc1c[nH]nc1[C@H]1CCC[N@@H+](C[C@@H]2CCCS2(=O)=O)C1)c1ccccc1 ZINC001169187951 1079177741 /nfs/dbraw/zinc/17/77/41/1079177741.db2.gz NRXRUXFHMOLGSQ-IRXDYDNUSA-N 1 2 402.520 2.419 20 0 HEADLO O=C(Nc1ccc(SC(F)F)nc1)C(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000771230171 1079218855 /nfs/dbraw/zinc/21/88/55/1079218855.db2.gz WQHFDEYUTFXAFL-UONOGXRCSA-N 1 2 414.478 2.094 20 0 HEADLO COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)Nc2cccc(-n3cc[nH+]c3)c2)C1=O ZINC000771298546 1079271744 /nfs/dbraw/zinc/27/17/44/1079271744.db2.gz LFQQMNBDRWFOMH-JOCHJYFZSA-N 1 2 419.441 2.287 20 0 HEADLO O=C(NCCN(Cc1ccccc1)c1cccc[nH+]1)N1CC[C@@H](Cn2ccnn2)C1 ZINC001687511068 1079268131 /nfs/dbraw/zinc/26/81/31/1079268131.db2.gz MAULXOLOQJVYCY-HXUWFJFHSA-N 1 2 405.506 2.411 20 0 HEADLO COc1ccc(OC)c([C@@H](O)CNC(=O)CNc2cc(C)[nH+]c(OC(F)F)c2)c1 ZINC001169442329 1079292497 /nfs/dbraw/zinc/29/24/97/1079292497.db2.gz QRCAFFQOKIEDBV-HNNXBMFYSA-N 1 2 411.405 2.270 20 0 HEADLO Cc1cc2c(cc1C)[C@H](C(=O)N1CC[N@@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C)CO2 ZINC000771399947 1079322895 /nfs/dbraw/zinc/32/28/95/1079322895.db2.gz VJEBEOJWDNOKOD-FUHWJXTLSA-N 1 2 403.523 2.447 20 0 HEADLO Cc1cc2c(cc1C)[C@H](C(=O)N1CC[N@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C)CO2 ZINC000771399947 1079322905 /nfs/dbraw/zinc/32/29/05/1079322905.db2.gz VJEBEOJWDNOKOD-FUHWJXTLSA-N 1 2 403.523 2.447 20 0 HEADLO CC(=O)N1CCC[C@H](N2CCO[C@@H](c3[nH+]cn4c3cccc4Br)C2)C1 ZINC001169602564 1079341206 /nfs/dbraw/zinc/34/12/06/1079341206.db2.gz IQCLDBIFUKWMIW-GOEBONIOSA-N 1 2 407.312 2.481 20 0 HEADLO O=C(N[C@H]1CCc2c[nH+]cn2C1)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC000804332709 1079348653 /nfs/dbraw/zinc/34/86/53/1079348653.db2.gz PSHUCOKSKWWJTQ-AWEZNQCLSA-N 1 2 408.911 2.066 20 0 HEADLO CCOC(=O)N1CCC[C@@H]([NH+]2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)CC1 ZINC001169683689 1079366457 /nfs/dbraw/zinc/36/64/57/1079366457.db2.gz YUYWCZBEHPYOTJ-QGZVFWFLSA-N 1 2 413.515 2.143 20 0 HEADLO CCOC(=O)N1CCC[C@@H]([N@@H+]2CCn3nnc(COCc4cccnc4)c3C2)CC1 ZINC001169691223 1079372025 /nfs/dbraw/zinc/37/20/25/1079372025.db2.gz GIARSLVLDYYINV-GOSISDBHSA-N 1 2 414.510 2.217 20 0 HEADLO CCOC(=O)N1CCC[C@@H]([N@H+]2CCn3nnc(COCc4cccnc4)c3C2)CC1 ZINC001169691223 1079372028 /nfs/dbraw/zinc/37/20/28/1079372028.db2.gz GIARSLVLDYYINV-GOSISDBHSA-N 1 2 414.510 2.217 20 0 HEADLO CC(C)(C)OC(=O)N1CC[C@H](c2cc(C(=O)N[C@@H]3CCc4c[nH+]cn4C3)[nH]n2)C1 ZINC000804334404 1079376705 /nfs/dbraw/zinc/37/67/05/1079376705.db2.gz FZBSLJXWRJVGCG-UONOGXRCSA-N 1 2 400.483 2.075 20 0 HEADLO O=C(N[C@@H]1CCc2c[nH+]cn2C1)c1ccnc(Cl)c1I ZINC000804333702 1079378484 /nfs/dbraw/zinc/37/84/84/1079378484.db2.gz PRZRFFGKNKNXDT-MRVPVSSYSA-N 1 2 402.623 2.281 20 0 HEADLO CC(C)(C)OC(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000771563209 1079386175 /nfs/dbraw/zinc/38/61/75/1079386175.db2.gz VQIAFJYGOFCTLZ-VQTJNVASSA-N 1 2 415.534 2.282 20 0 HEADLO CCO[C@@H]1C[C@](NC(=O)OC(C)(C)C)(C(=O)N[C@@H]2CCc3c[nH+]cn3C2)C1(C)C ZINC000804338425 1079409561 /nfs/dbraw/zinc/40/95/61/1079409561.db2.gz PUBRKINKJUMEIK-NVAPDCRFSA-N 1 2 406.527 2.413 20 0 HEADLO CCn1c(N2CCOCC2)nn(C[N@@H+]2CCC[C@H](C(C)(C)C(=O)OC)C2)c1=S ZINC000771628231 1079411661 /nfs/dbraw/zinc/41/16/61/1079411661.db2.gz GZPFCPQRKFFNSG-HNNXBMFYSA-N 1 2 411.572 2.139 20 0 HEADLO CCn1c(N2CCOCC2)nn(C[N@H+]2CCC[C@H](C(C)(C)C(=O)OC)C2)c1=S ZINC000771628231 1079411673 /nfs/dbraw/zinc/41/16/73/1079411673.db2.gz GZPFCPQRKFFNSG-HNNXBMFYSA-N 1 2 411.572 2.139 20 0 HEADLO C[N@@H+](CC(=O)Nc1ccccc1Cl)C[C@@H](O)Cn1c(=O)onc1-c1ccccc1 ZINC000771660826 1079430665 /nfs/dbraw/zinc/43/06/65/1079430665.db2.gz VSDJSDVCNAUPKQ-OAHLLOKOSA-N 1 2 416.865 2.088 20 0 HEADLO C[N@H+](CC(=O)Nc1ccccc1Cl)C[C@@H](O)Cn1c(=O)onc1-c1ccccc1 ZINC000771660826 1079430666 /nfs/dbraw/zinc/43/06/66/1079430666.db2.gz VSDJSDVCNAUPKQ-OAHLLOKOSA-N 1 2 416.865 2.088 20 0 HEADLO Cc1cc(C2(NC(=O)C[NH+]3CCC(NC(=O)OC(C)(C)C)CC3)CCOCC2)on1 ZINC001169911156 1079474734 /nfs/dbraw/zinc/47/47/34/1079474734.db2.gz GBSGOIPBXPIFNV-UHFFFAOYSA-N 1 2 422.526 2.094 20 0 HEADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)COCCNC(=O)OC(C)(C)C ZINC000737934326 1075939555 /nfs/dbraw/zinc/93/95/55/1075939555.db2.gz DEDJYHSFURAPJZ-UHFFFAOYSA-N 1 2 407.511 2.307 20 0 HEADLO C[C@@H](c1ccccc1Cl)[NH+]1CCN(Cn2cc(S(=O)(=O)N(C)C)cn2)CC1 ZINC000738018355 1075951287 /nfs/dbraw/zinc/95/12/87/1075951287.db2.gz BWUXLNFXKWNKAM-HNNXBMFYSA-N 1 2 411.959 2.123 20 0 HEADLO CC(C)[C@@]1(C)NC(=O)N(CN(Cc2ccccc2)[C@H](C)C[NH+]2CCOCC2)C1=O ZINC000738042116 1075956173 /nfs/dbraw/zinc/95/61/73/1075956173.db2.gz SQWRLXNSYHHZMF-XMSQKQJNSA-N 1 2 402.539 2.133 20 0 HEADLO CC[N@H+](CCC(=O)OC)CN1C(=O)N[C@@](C)(c2ccc(OC(F)(F)F)cc2)C1=O ZINC000738099564 1075960923 /nfs/dbraw/zinc/96/09/23/1075960923.db2.gz NDYXJJCWGUZTQH-KRWDZBQOSA-N 1 2 417.384 2.195 20 0 HEADLO CC[N@@H+](CCC(=O)OC)CN1C(=O)N[C@@](C)(c2ccc(OC(F)(F)F)cc2)C1=O ZINC000738099564 1075960933 /nfs/dbraw/zinc/96/09/33/1075960933.db2.gz NDYXJJCWGUZTQH-KRWDZBQOSA-N 1 2 417.384 2.195 20 0 HEADLO COC(=O)c1ncn(C[NH+]2CCC(C(=O)Nc3ccc(Br)cc3)CC2)n1 ZINC000738117191 1075967663 /nfs/dbraw/zinc/96/76/63/1075967663.db2.gz MCDBBEMNVZDDTH-UHFFFAOYSA-N 1 2 422.283 2.135 20 0 HEADLO COC(=O)c1cn(C[NH+]2CCC(C(=O)Nc3ccccc3Br)CC2)nn1 ZINC000738148911 1075968771 /nfs/dbraw/zinc/96/87/71/1075968771.db2.gz RBVOORWCJQLXFY-UHFFFAOYSA-N 1 2 422.283 2.135 20 0 HEADLO COc1ccc(OC)c(-n2nnn(CN3CCC[C@H](n4cc[nH+]c4)C3)c2=S)c1 ZINC000738149460 1075969210 /nfs/dbraw/zinc/96/92/10/1075969210.db2.gz RUVBDSXQECPMCU-AWEZNQCLSA-N 1 2 401.496 2.307 20 0 HEADLO CC(=O)N1CCCCC[C@H]1C1CC[NH+](CN2C(=O)C[C@]3(CCSC3)C2=O)CC1 ZINC000738220999 1075975708 /nfs/dbraw/zinc/97/57/08/1075975708.db2.gz OPMLDNXLKMMFLZ-RXVVDRJESA-N 1 2 407.580 2.329 20 0 HEADLO C[N@H+](CCN1CCN(C(=O)OC(C)(C)C)CC1)CC(=O)Nc1nc2c(s1)CCC2 ZINC000738326728 1075980911 /nfs/dbraw/zinc/98/09/11/1075980911.db2.gz MZJOJGDCWAEVFI-UHFFFAOYSA-N 1 2 423.583 2.055 20 0 HEADLO C[N@@H+](CCN1CCN(C(=O)OC(C)(C)C)CC1)CC(=O)Nc1nc2c(s1)CCC2 ZINC000738326728 1075980916 /nfs/dbraw/zinc/98/09/16/1075980916.db2.gz MZJOJGDCWAEVFI-UHFFFAOYSA-N 1 2 423.583 2.055 20 0 HEADLO S=c1oc2ccccc2n1CN1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000738288590 1075984917 /nfs/dbraw/zinc/98/49/17/1075984917.db2.gz HURKWSHOAMEUNE-UHFFFAOYSA-N 1 2 412.519 2.370 20 0 HEADLO Cc1cccc(NC(=O)N2CC[NH+](CCC(=O)Nc3sccc3C(N)=O)CC2)c1 ZINC000738311694 1075987965 /nfs/dbraw/zinc/98/79/65/1075987965.db2.gz IQGVILPZWMECAT-UHFFFAOYSA-N 1 2 415.519 2.334 20 0 HEADLO CCO[C@@H]1CCC[N@H+](CC(=O)Nc2sc3c(c2C(=O)NCCOC)CCCC3)C1 ZINC000738318257 1075988826 /nfs/dbraw/zinc/98/88/26/1075988826.db2.gz BPPSJJKPEBIWBY-OAHLLOKOSA-N 1 2 423.579 2.443 20 0 HEADLO CCO[C@@H]1CCC[N@@H+](CC(=O)Nc2sc3c(c2C(=O)NCCOC)CCCC3)C1 ZINC000738318257 1075988833 /nfs/dbraw/zinc/98/88/33/1075988833.db2.gz BPPSJJKPEBIWBY-OAHLLOKOSA-N 1 2 423.579 2.443 20 0 HEADLO C[C@@H](CNS(=O)(=O)/C=C\c1cccc(Br)c1)C[NH+]1CCOCC1 ZINC000738412817 1075995275 /nfs/dbraw/zinc/99/52/75/1075995275.db2.gz HFNIMJVQPZHYRY-MFNCVGGLSA-N 1 2 403.342 2.308 20 0 HEADLO C[C@@H]1COCCN1c1ccc(NC(=O)C(=O)N[C@@H](Cn2cc[nH+]c2)C(C)(C)C)cc1 ZINC000739065724 1076034601 /nfs/dbraw/zinc/03/46/01/1076034601.db2.gz GLPCSTVKLRRRQU-APWZRJJASA-N 1 2 413.522 2.278 20 0 HEADLO C[C@H]1COCCN1c1ccc(NC(=O)C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000739082304 1076039737 /nfs/dbraw/zinc/03/97/37/1076039737.db2.gz RQSUOIZVCPEMOD-KRWDZBQOSA-N 1 2 419.485 2.352 20 0 HEADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)N2CCC3(CCCC3)CC2)CC1 ZINC000739138816 1076049518 /nfs/dbraw/zinc/04/95/18/1076049518.db2.gz WCZRURQEPGYPEK-UHFFFAOYSA-N 1 2 412.534 2.196 20 0 HEADLO COC(=O)N1CCC(NC(=O)N[C@@H](c2ccc(Cl)cc2)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000766247163 1076144955 /nfs/dbraw/zinc/14/49/55/1076144955.db2.gz CDWMENNNXCAIDT-ROUUACIJSA-N 1 2 424.929 2.242 20 0 HEADLO COC(=O)N1CCC(NC(=O)N[C@@H](c2ccc(Cl)cc2)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000766247163 1076144961 /nfs/dbraw/zinc/14/49/61/1076144961.db2.gz CDWMENNNXCAIDT-ROUUACIJSA-N 1 2 424.929 2.242 20 0 HEADLO CC[C@@H](C)NC(=O)CN1CC[NH+](CCOc2ccc3c(C)cc(=O)oc3c2)CC1 ZINC000740874550 1076277222 /nfs/dbraw/zinc/27/72/22/1076277222.db2.gz PCAIAUYWJGUPTI-QGZVFWFLSA-N 1 2 401.507 2.013 20 0 HEADLO CC[C@H]1C[N@H+](CC(=O)N2CCOCC2)[C@@H](CC)CN1C(=O)OCc1ccccc1 ZINC000740887468 1076285305 /nfs/dbraw/zinc/28/53/05/1076285305.db2.gz VBBBQFJOCSWINA-PMACEKPBSA-N 1 2 403.523 2.357 20 0 HEADLO CC[C@H]1C[N@@H+](CC(=O)N2CCOCC2)[C@@H](CC)CN1C(=O)OCc1ccccc1 ZINC000740887468 1076285308 /nfs/dbraw/zinc/28/53/08/1076285308.db2.gz VBBBQFJOCSWINA-PMACEKPBSA-N 1 2 403.523 2.357 20 0 HEADLO C[C@H](C(=O)OCCOc1cccc(S(C)(=O)=O)c1)[N@@H+]1CCc2ccccc2C1 ZINC000740987037 1076319463 /nfs/dbraw/zinc/31/94/63/1076319463.db2.gz IQDLDPFLPLGFMG-MRXNPFEDSA-N 1 2 403.500 2.459 20 0 HEADLO C[C@H](C(=O)OCCOc1cccc(S(C)(=O)=O)c1)[N@H+]1CCc2ccccc2C1 ZINC000740987037 1076319468 /nfs/dbraw/zinc/31/94/68/1076319468.db2.gz IQDLDPFLPLGFMG-MRXNPFEDSA-N 1 2 403.500 2.459 20 0 HEADLO CCOc1ccc(F)c(C(=O)OCC(=O)N2CC[NH+](Cc3ccsc3)CC2)c1N ZINC000741039912 1076335731 /nfs/dbraw/zinc/33/57/31/1076335731.db2.gz VTSWOULTMZURAU-UHFFFAOYSA-N 1 2 421.494 2.369 20 0 HEADLO CC[NH+](CC)[C@H](C(=O)OCC(=O)N1CCOCC1)c1cccc(C(F)(F)F)c1 ZINC000741024977 1076341026 /nfs/dbraw/zinc/34/10/26/1076341026.db2.gz BFEBRYSHIIJQQF-KRWDZBQOSA-N 1 2 402.413 2.490 20 0 HEADLO O=C(NCc1cccc(OCC[NH+]2CCOCC2)c1)N[C@H](CCO)c1cccs1 ZINC000741080996 1076356834 /nfs/dbraw/zinc/35/68/34/1076356834.db2.gz PATUNJIBZASTIN-LJQANCHMSA-N 1 2 419.547 2.382 20 0 HEADLO O=C(NC[C@H]1CCCO1)c1ccccc1NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000741176214 1076396032 /nfs/dbraw/zinc/39/60/32/1076396032.db2.gz TVFQLEYZVUYHOI-KNQAVFIVSA-N 1 2 423.513 2.435 20 0 HEADLO O=C(NC[C@H]1CCCO1)c1ccccc1NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000741176214 1076396035 /nfs/dbraw/zinc/39/60/35/1076396035.db2.gz TVFQLEYZVUYHOI-KNQAVFIVSA-N 1 2 423.513 2.435 20 0 HEADLO CCOC(=O)[C@@H]1C[N@H+](CCC(=O)Nc2c(C)nn(-c3ccccc3)c2C)CCO1 ZINC000741247690 1076435291 /nfs/dbraw/zinc/43/52/91/1076435291.db2.gz LMQXKBWEGMUUPY-SFHVURJKSA-N 1 2 400.479 2.082 20 0 HEADLO CCOC(=O)[C@@H]1C[N@@H+](CCC(=O)Nc2c(C)nn(-c3ccccc3)c2C)CCO1 ZINC000741247690 1076435296 /nfs/dbraw/zinc/43/52/96/1076435296.db2.gz LMQXKBWEGMUUPY-SFHVURJKSA-N 1 2 400.479 2.082 20 0 HEADLO O=C(CCCc1ccccn1)OCC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000741337658 1076481993 /nfs/dbraw/zinc/48/19/93/1076481993.db2.gz PJRCBRWIYSCGKD-UHFFFAOYSA-N 1 2 423.513 2.227 20 0 HEADLO CC(C)[C@H](OC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1)C(=O)NCc1ccco1 ZINC000741388134 1076495572 /nfs/dbraw/zinc/49/55/72/1076495572.db2.gz RCDPFXSPGAFUKD-UXHICEINSA-N 1 2 400.475 2.365 20 0 HEADLO CC(C)[C@H](OC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1)C(=O)NCc1ccco1 ZINC000741388134 1076495577 /nfs/dbraw/zinc/49/55/77/1076495577.db2.gz RCDPFXSPGAFUKD-UXHICEINSA-N 1 2 400.475 2.365 20 0 HEADLO Cc1ccccc1C[C@H](C)NC(=O)COC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000741380542 1076505481 /nfs/dbraw/zinc/50/54/81/1076505481.db2.gz CGDFXHKHIPEWPV-UGKGYDQZSA-N 1 2 410.514 2.486 20 0 HEADLO Cc1ccccc1C[C@H](C)NC(=O)COC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000741380542 1076505484 /nfs/dbraw/zinc/50/54/84/1076505484.db2.gz CGDFXHKHIPEWPV-UGKGYDQZSA-N 1 2 410.514 2.486 20 0 HEADLO O=C(COC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1)NC1C2CC3CC(C2)CC1C3 ZINC000741385890 1076509684 /nfs/dbraw/zinc/50/96/84/1076509684.db2.gz JFECIWCLUPXOCG-UVFITVQJSA-N 1 2 412.530 2.372 20 0 HEADLO O=C(COC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)NC1C2CC3CC(C2)CC1C3 ZINC000741385890 1076509688 /nfs/dbraw/zinc/50/96/88/1076509688.db2.gz JFECIWCLUPXOCG-UVFITVQJSA-N 1 2 412.530 2.372 20 0 HEADLO COCCCn1c(=O)c2ccc(C(=O)N(C)[C@@H]3CC[N@H+](C)C[C@H]3C)cc2[nH]c1=S ZINC000741705789 1076599457 /nfs/dbraw/zinc/59/94/57/1076599457.db2.gz UKESIFUDINODGK-RDTXWAMCSA-N 1 2 418.563 2.134 20 0 HEADLO COCCCn1c(=O)c2ccc(C(=O)N(C)[C@@H]3CC[N@@H+](C)C[C@H]3C)cc2[nH]c1=S ZINC000741705789 1076599467 /nfs/dbraw/zinc/59/94/67/1076599467.db2.gz UKESIFUDINODGK-RDTXWAMCSA-N 1 2 418.563 2.134 20 0 HEADLO COCCCn1c(=O)c2ccc(C(=O)N(C)[C@@H]3CC[N@H+](C)[C@H](C)C3)cc2[nH]c1=S ZINC000741706906 1076600086 /nfs/dbraw/zinc/60/00/86/1076600086.db2.gz CGSHRBLMAPAQJG-GDBMZVCRSA-N 1 2 418.563 2.276 20 0 HEADLO COCCCn1c(=O)c2ccc(C(=O)N(C)[C@@H]3CC[N@@H+](C)[C@H](C)C3)cc2[nH]c1=S ZINC000741706906 1076600092 /nfs/dbraw/zinc/60/00/92/1076600092.db2.gz CGSHRBLMAPAQJG-GDBMZVCRSA-N 1 2 418.563 2.276 20 0 HEADLO CCCCOC(=O)c1ccc(NC(=O)C[N@@H+]2CC[C@@H](CN3CCOCC3)C2)cc1 ZINC000741808566 1076633874 /nfs/dbraw/zinc/63/38/74/1076633874.db2.gz MLRDZZRIOYRHEH-SFHVURJKSA-N 1 2 403.523 2.236 20 0 HEADLO CCCCOC(=O)c1ccc(NC(=O)C[N@H+]2CC[C@@H](CN3CCOCC3)C2)cc1 ZINC000741808566 1076633882 /nfs/dbraw/zinc/63/38/82/1076633882.db2.gz MLRDZZRIOYRHEH-SFHVURJKSA-N 1 2 403.523 2.236 20 0 HEADLO Cc1cn2cc(NC(=O)CCCN(C)C3=NS(=O)(=O)c4ccccc43)ccc2[nH+]1 ZINC000741919839 1076676378 /nfs/dbraw/zinc/67/63/78/1076676378.db2.gz NHDPLLQUUOGBLT-UHFFFAOYSA-N 1 2 411.487 2.442 20 0 HEADLO CN(C)c1ccc([NH+]2CCC(NC(=O)Cn3ncc4ccccc4c3=O)CC2)cc1 ZINC000741981409 1076702279 /nfs/dbraw/zinc/70/22/79/1076702279.db2.gz HPZFQENWDVVLAZ-UHFFFAOYSA-N 1 2 405.502 2.248 20 0 HEADLO CN(C)c1ccc([NH+]2CCC(NC(=O)CN3C(=O)[C@H]4CCCC[C@@H]4C3=O)CC2)cc1 ZINC000741982503 1076702306 /nfs/dbraw/zinc/70/23/06/1076702306.db2.gz USOIPFQHHFLJCZ-PMACEKPBSA-N 1 2 412.534 2.013 20 0 HEADLO CN(C)c1ccc([NH+]2CCC(NC(=O)c3cccnc3N3CCOCC3)CC2)cc1 ZINC000741981627 1076702443 /nfs/dbraw/zinc/70/24/43/1076702443.db2.gz TYLFMWQHWNAMKC-UHFFFAOYSA-N 1 2 409.534 2.383 20 0 HEADLO COC(=O)c1cnc(N(C(=O)C2CC[NH+](Cc3nccn3C)CC2)C2CC2)s1 ZINC000741997393 1076711629 /nfs/dbraw/zinc/71/16/29/1076711629.db2.gz GSWISSFQZFPLKW-UHFFFAOYSA-N 1 2 403.508 2.071 20 0 HEADLO CC(C)(C)OC(=O)N(CC(=O)NCCc1cn2c([nH+]1)CCCC2)C[C@@H]1CCCO1 ZINC000742044652 1076716139 /nfs/dbraw/zinc/71/61/39/1076716139.db2.gz QWCQXEMRPKXVNZ-KRWDZBQOSA-N 1 2 406.527 2.294 20 0 HEADLO C[C@@H]1SCC[N@H+](CN2C(=O)NC3(CCN(C(=O)OC(C)(C)C)CC3)C2=O)[C@H]1C ZINC000742148752 1076765620 /nfs/dbraw/zinc/76/56/20/1076765620.db2.gz CNYRIQJECBYOEG-KBPBESRZSA-N 1 2 412.556 2.091 20 0 HEADLO C[C@@H]1SCC[N@@H+](CN2C(=O)NC3(CCN(C(=O)OC(C)(C)C)CC3)C2=O)[C@H]1C ZINC000742148752 1076765630 /nfs/dbraw/zinc/76/56/30/1076765630.db2.gz CNYRIQJECBYOEG-KBPBESRZSA-N 1 2 412.556 2.091 20 0 HEADLO COCCCn1c(=O)c2ccc(C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)cc2[nH]c1=S ZINC000742185668 1076775465 /nfs/dbraw/zinc/77/54/65/1076775465.db2.gz SDWHPJHBIVXZID-AWEZNQCLSA-N 1 2 420.579 2.428 20 0 HEADLO CC(C)CN1C(=O)C(=O)N(CN2CC[NH+]([C@H](C)c3ccc(Cl)cc3)CC2)C1=O ZINC000742177492 1076793643 /nfs/dbraw/zinc/79/36/43/1076793643.db2.gz VFZFYSXTKVXDTB-OAHLLOKOSA-N 1 2 406.914 2.423 20 0 HEADLO Cc1nnnn1[C@H](Cc1cccc(F)c1)C(=O)N1CCC([N@H+](C)CC(F)F)CC1 ZINC000742236939 1076802951 /nfs/dbraw/zinc/80/29/51/1076802951.db2.gz CEIRLDCSYBYRID-QGZVFWFLSA-N 1 2 410.444 2.092 20 0 HEADLO Cc1nnnn1[C@H](Cc1cccc(F)c1)C(=O)N1CCC([N@@H+](C)CC(F)F)CC1 ZINC000742236939 1076802954 /nfs/dbraw/zinc/80/29/54/1076802954.db2.gz CEIRLDCSYBYRID-QGZVFWFLSA-N 1 2 410.444 2.092 20 0 HEADLO C[C@@H](Cn1cc[nH+]c1)NS(=O)(=O)C[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000742277377 1076808970 /nfs/dbraw/zinc/80/89/70/1076808970.db2.gz NKAAMOPLEGFMOG-PKOBYXMFSA-N 1 2 420.535 2.240 20 0 HEADLO O=C1C[C@H]([N@@H+]2CCc3c(cccc3N3CCOC3=O)C2)C(=O)N1c1cccc(O)c1 ZINC000742264682 1076811024 /nfs/dbraw/zinc/81/10/24/1076811024.db2.gz HMZRBJXTTDFSCN-IBGZPJMESA-N 1 2 407.426 2.039 20 0 HEADLO O=C1C[C@H]([N@H+]2CCc3c(cccc3N3CCOC3=O)C2)C(=O)N1c1cccc(O)c1 ZINC000742264682 1076811025 /nfs/dbraw/zinc/81/10/25/1076811025.db2.gz HMZRBJXTTDFSCN-IBGZPJMESA-N 1 2 407.426 2.039 20 0 HEADLO Cc1ccccc1C[C@H](C)NC(=O)CON=C(N)c1cccc(C[NH+]2CCOCC2)c1 ZINC000742356835 1076830018 /nfs/dbraw/zinc/83/00/18/1076830018.db2.gz ITGNVVFOOGAPDM-IBGZPJMESA-N 1 2 424.545 2.421 20 0 HEADLO O=C(c1cc(S(=O)(=O)NC2CC2)c(Cl)cc1Cl)N1CC[NH+](C2CC2)CC1 ZINC000742446971 1076838618 /nfs/dbraw/zinc/83/86/18/1076838618.db2.gz QGVKUYCZQNEZDO-UHFFFAOYSA-N 1 2 418.346 2.354 20 0 HEADLO CC[C@@]1(c2ccc(Cl)cc2)NC(=O)N(C[N@@H+]2CCC[C@@H](CNC(C)=O)C2)C1=O ZINC000742557473 1076851801 /nfs/dbraw/zinc/85/18/01/1076851801.db2.gz GBCFHOLLSYILBS-YWZLYKJASA-N 1 2 406.914 2.303 20 0 HEADLO CC[C@@]1(c2ccc(Cl)cc2)NC(=O)N(C[N@H+]2CCC[C@@H](CNC(C)=O)C2)C1=O ZINC000742557473 1076851802 /nfs/dbraw/zinc/85/18/02/1076851802.db2.gz GBCFHOLLSYILBS-YWZLYKJASA-N 1 2 406.914 2.303 20 0 HEADLO C[NH+](C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)C[C@H]1SC(=N)NC1=O ZINC000742593079 1076853973 /nfs/dbraw/zinc/85/39/73/1076853973.db2.gz JBWGNWNGLNJBRB-CYBMUJFWSA-N 1 2 402.442 2.152 20 0 HEADLO O=C([C@@H]1CC(=O)N(Cc2ccccc2Cl)C1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000742761259 1076874907 /nfs/dbraw/zinc/87/49/07/1076874907.db2.gz HDFJJJLTAIPXIK-QZTJIDSGSA-N 1 2 405.926 2.012 20 0 HEADLO Cc1sc(=O)n(CC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)c1-c1ccc(F)cc1 ZINC000742760700 1076874926 /nfs/dbraw/zinc/87/49/26/1076874926.db2.gz CGMKURKWCODDAR-SFHVURJKSA-N 1 2 419.522 2.348 20 0 HEADLO O=C(Nc1cccc(CN2CCOC2=O)c1)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000743099251 1076953216 /nfs/dbraw/zinc/95/32/16/1076953216.db2.gz RDZDPKKGZSWWIK-IBGZPJMESA-N 1 2 402.495 2.357 20 0 HEADLO Cc1c(NC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)cccc1N1CCOC1=O ZINC000743243384 1077012795 /nfs/dbraw/zinc/01/27/95/1077012795.db2.gz GDGIAMNAUKYFFK-FQEVSTJZSA-N 1 2 420.535 2.281 20 0 HEADLO Cc1noc(C)c1S(=O)(=O)N1CCC[N@H+](C[C@H](O)c2cc(C)cc(C)c2)CC1 ZINC000743255585 1077015150 /nfs/dbraw/zinc/01/51/50/1077015150.db2.gz JPYSNMVDNABOBF-IBGZPJMESA-N 1 2 407.536 2.338 20 0 HEADLO Cc1noc(C)c1S(=O)(=O)N1CCC[N@@H+](C[C@H](O)c2cc(C)cc(C)c2)CC1 ZINC000743255585 1077015158 /nfs/dbraw/zinc/01/51/58/1077015158.db2.gz JPYSNMVDNABOBF-IBGZPJMESA-N 1 2 407.536 2.338 20 0 HEADLO C[C@]1(c2ccc3ccccc3c2)NC(=O)N(CN2CCC[C@@H]2C[NH+]2CCOCC2)C1=O ZINC000743374767 1077035413 /nfs/dbraw/zinc/03/54/13/1077035413.db2.gz PUEZOKWPPUSLQP-ZJSXRUAMSA-N 1 2 422.529 2.361 20 0 HEADLO COc1ccc(CCN2C(=O)C(=O)N(C[N@@H+]3CCS[C@H](C(C)C)C3)C2=O)cc1 ZINC000743396703 1077041851 /nfs/dbraw/zinc/04/18/51/1077041851.db2.gz UZHMJFVEHQAUHP-KRWDZBQOSA-N 1 2 405.520 2.059 20 0 HEADLO COc1ccc(CCN2C(=O)C(=O)N(C[N@H+]3CCS[C@H](C(C)C)C3)C2=O)cc1 ZINC000743396703 1077041858 /nfs/dbraw/zinc/04/18/58/1077041858.db2.gz UZHMJFVEHQAUHP-KRWDZBQOSA-N 1 2 405.520 2.059 20 0 HEADLO Cc1ccc(N2CC[C@@H](NC(=O)NCc3ccccc3C[NH+]3CCOCC3)C2=O)cc1 ZINC000743515351 1077061759 /nfs/dbraw/zinc/06/17/59/1077061759.db2.gz WFRZBQUNEUBGEV-JOCHJYFZSA-N 1 2 422.529 2.432 20 0 HEADLO Cc1cc([C@@](C)(O)CNC(=O)NCc2ccccc2C[NH+]2CCOCC2)c(C)o1 ZINC000743514552 1077061969 /nfs/dbraw/zinc/06/19/69/1077061969.db2.gz QOMUEBPUVMMSNP-QFIPXVFZSA-N 1 2 401.507 2.436 20 0 HEADLO CN(C)c1ccc([NH+]2CCC(NC(=O)NCCC(=O)N3CCCCC3)CC2)cc1 ZINC000743540269 1077070583 /nfs/dbraw/zinc/07/05/83/1077070583.db2.gz PXGGSJJMSNSZLL-UHFFFAOYSA-N 1 2 401.555 2.423 20 0 HEADLO C[C@@H]1CN(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CC[C@@H]1c1ccccc1 ZINC000743601494 1077078942 /nfs/dbraw/zinc/07/89/42/1077078942.db2.gz DFKBGIRHFLPVEL-XLIONFOSSA-N 1 2 407.580 2.331 20 0 HEADLO CN(C)c1ccc([NH+]2CCC(NC(=O)CN3CCN(c4ccccn4)CC3)CC2)cc1 ZINC000743700533 1077092873 /nfs/dbraw/zinc/09/28/73/1077092873.db2.gz BZKQBTBEUDLZDP-UHFFFAOYSA-N 1 2 422.577 2.055 20 0 HEADLO C[C@@H]1[C@H](C)[S@@](=O)CC[N@@H+]1C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000743851539 1077141942 /nfs/dbraw/zinc/14/19/42/1077141942.db2.gz VQELMIDACHAPBF-ZXDOVGCVSA-N 1 2 410.580 2.325 20 0 HEADLO C[C@@H]1[C@H](C)[S@@](=O)CC[N@H+]1C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000743851539 1077141945 /nfs/dbraw/zinc/14/19/45/1077141945.db2.gz VQELMIDACHAPBF-ZXDOVGCVSA-N 1 2 410.580 2.325 20 0 HEADLO CCOC(=O)N1CCN(C(=O)C[NH+]2CCN([C@H](C)c3ccc(Cl)cc3)CC2)CC1 ZINC000743855291 1077142972 /nfs/dbraw/zinc/14/29/72/1077142972.db2.gz JJFFYFQXUCYUPC-QGZVFWFLSA-N 1 2 422.957 2.319 20 0 HEADLO CCOC(=O)N1CCN(C(=O)CN2CC[NH+]([C@H](C)c3ccc(Cl)cc3)CC2)CC1 ZINC000743855291 1077142983 /nfs/dbraw/zinc/14/29/83/1077142983.db2.gz JJFFYFQXUCYUPC-QGZVFWFLSA-N 1 2 422.957 2.319 20 0 HEADLO CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)N[C@H]3CC[C@H](SC)C3)cc2)CC1 ZINC000743968790 1077273240 /nfs/dbraw/zinc/27/32/40/1077273240.db2.gz SMDLYDODZOYPSY-OALUTQOASA-N 1 2 404.580 2.163 20 0 HEADLO Cn1cc[nH+]c1C[C@@H](NC(=O)C(=O)Nc1ccc(-n2nccn2)cc1)c1ccccc1 ZINC000743985088 1077296593 /nfs/dbraw/zinc/29/65/93/1077296593.db2.gz ABQSLPNKCBYMOA-LJQANCHMSA-N 1 2 415.457 2.040 20 0 HEADLO C[C@@]1(c2ccccc2F)NC(=O)N(C[NH+]2CCC(c3nnc4ccccn43)CC2)C1=O ZINC000744123527 1077324809 /nfs/dbraw/zinc/32/48/09/1077324809.db2.gz LEBQKXAELDASGT-QFIPXVFZSA-N 1 2 422.464 2.473 20 0 HEADLO COc1ccc(CC(N)=[NH+]OCC(=O)Nc2ccc(OC)c(OC)c2)cc1OC ZINC000744185212 1077336951 /nfs/dbraw/zinc/33/69/51/1077336951.db2.gz QPENVJSRCLGLJZ-UHFFFAOYSA-N 1 2 403.435 2.401 20 0 HEADLO O=C(NCc1ccccc1OCC[NH+]1CCOCC1)NC[C@@H](O)c1cccc(F)c1 ZINC000744292154 1077357768 /nfs/dbraw/zinc/35/77/68/1077357768.db2.gz VGCUHRUZMOKYOB-HXUWFJFHSA-N 1 2 417.481 2.070 20 0 HEADLO CCNC(=O)c1cccc(NC(=O)C[N@@H+]2CCC[C@@H]2CNC(=O)OC(C)(C)C)c1 ZINC000744419989 1077379065 /nfs/dbraw/zinc/37/90/65/1077379065.db2.gz NJTRDNGGFVALHT-QGZVFWFLSA-N 1 2 404.511 2.364 20 0 HEADLO CCNC(=O)c1cccc(NC(=O)C[N@H+]2CCC[C@@H]2CNC(=O)OC(C)(C)C)c1 ZINC000744419989 1077379072 /nfs/dbraw/zinc/37/90/72/1077379072.db2.gz NJTRDNGGFVALHT-QGZVFWFLSA-N 1 2 404.511 2.364 20 0 HEADLO CC(C)[C@@H]1C[N@H+](CC(=O)NN2C(=O)N[C@](C)(CCc3ccccc3)C2=O)CCS1 ZINC000744422508 1077386530 /nfs/dbraw/zinc/38/65/30/1077386530.db2.gz GPGYWQQORAYLMH-LAUBAEHRSA-N 1 2 418.563 2.034 20 0 HEADLO CC(C)[C@@H]1C[N@@H+](CC(=O)NN2C(=O)N[C@](C)(CCc3ccccc3)C2=O)CCS1 ZINC000744422508 1077386538 /nfs/dbraw/zinc/38/65/38/1077386538.db2.gz GPGYWQQORAYLMH-LAUBAEHRSA-N 1 2 418.563 2.034 20 0 HEADLO COC(=O)c1ccc(C[N@H+](C)CN2CC3(CN(C(=O)OC(C)(C)C)C3)CC2=O)cc1 ZINC000744430908 1077391498 /nfs/dbraw/zinc/39/14/98/1077391498.db2.gz PRAWKBBJSULJFZ-UHFFFAOYSA-N 1 2 417.506 2.332 20 0 HEADLO COC(=O)c1ccc(C[N@@H+](C)CN2CC3(CN(C(=O)OC(C)(C)C)C3)CC2=O)cc1 ZINC000744430908 1077391508 /nfs/dbraw/zinc/39/15/08/1077391508.db2.gz PRAWKBBJSULJFZ-UHFFFAOYSA-N 1 2 417.506 2.332 20 0 HEADLO O=C(NCc1ccc(Cl)nc1)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000744868621 1077629141 /nfs/dbraw/zinc/62/91/41/1077629141.db2.gz BQMBPURGGLNJDT-UHFFFAOYSA-N 1 2 404.898 2.445 20 0 HEADLO CC[N@H+](C)[C@H](C(=O)OCC(=O)NC(=O)Nc1ccc2c(c1)OCO2)c1ccccc1 ZINC000745098062 1077730054 /nfs/dbraw/zinc/73/00/54/1077730054.db2.gz QQTXIZWGMYFXDD-IBGZPJMESA-N 1 2 413.430 2.300 20 0 HEADLO CC[N@@H+](C)[C@H](C(=O)OCC(=O)NC(=O)Nc1ccc2c(c1)OCO2)c1ccccc1 ZINC000745098062 1077730060 /nfs/dbraw/zinc/73/00/60/1077730060.db2.gz QQTXIZWGMYFXDD-IBGZPJMESA-N 1 2 413.430 2.300 20 0 HEADLO CCC(CC)(CNC(=O)NCC(C)(C)[NH+]1CCOCC1)NC(=O)OC(C)(C)C ZINC000745288877 1077803913 /nfs/dbraw/zinc/80/39/13/1077803913.db2.gz GWCSAFCFKWIWSX-UHFFFAOYSA-N 1 2 400.564 2.480 20 0 HEADLO Cc1cc(N2CCN(C(=O)COC(=O)[C@@H]3Cc4ccccc43)CC2)nc(C(C)C)[nH+]1 ZINC000745378487 1077815117 /nfs/dbraw/zinc/81/51/17/1077815117.db2.gz CFGNVGHLWKZZTC-LJQANCHMSA-N 1 2 408.502 2.440 20 0 HEADLO CC(C)(C)OC(=O)N1CC[C@@H]([N@H+](CN2C(=O)C(=O)N(C3CCCC3)C2=O)C2CC2)C1 ZINC000771863783 1079555638 /nfs/dbraw/zinc/55/56/38/1079555638.db2.gz IZWGWFGZYRCDJQ-MRXNPFEDSA-N 1 2 420.510 2.151 20 0 HEADLO CC(C)(C)OC(=O)N1CC[C@@H]([N@@H+](CN2C(=O)C(=O)N(C3CCCC3)C2=O)C2CC2)C1 ZINC000771863783 1079555651 /nfs/dbraw/zinc/55/56/51/1079555651.db2.gz IZWGWFGZYRCDJQ-MRXNPFEDSA-N 1 2 420.510 2.151 20 0 HEADLO Cn1cc([C@H](O)C[C@@H]2CCC[N@@H+]2[C@H](C(N)=O)c2cccc(Br)c2)cn1 ZINC000766965470 1079560612 /nfs/dbraw/zinc/56/06/12/1079560612.db2.gz ZYLVYWDKILADOW-BBWFWOEESA-N 1 2 407.312 2.297 20 0 HEADLO Cn1cc([C@H](O)C[C@@H]2CCC[N@H+]2[C@H](C(N)=O)c2cccc(Br)c2)cn1 ZINC000766965470 1079560625 /nfs/dbraw/zinc/56/06/25/1079560625.db2.gz ZYLVYWDKILADOW-BBWFWOEESA-N 1 2 407.312 2.297 20 0 HEADLO COc1cc(I)c(C(=O)OCCn2cc[nH+]c2)cc1OC ZINC000771944326 1079594350 /nfs/dbraw/zinc/59/43/50/1079594350.db2.gz VWQFBZBCNRKDMF-UHFFFAOYSA-N 1 2 402.188 2.362 20 0 HEADLO CN(CCNC(=O)NCc1ccc(-n2cc[nH+]c2)cc1)S(=O)(=O)c1cccs1 ZINC000771968624 1079613768 /nfs/dbraw/zinc/61/37/68/1079613768.db2.gz HYXAGHJQDWRTLA-UHFFFAOYSA-N 1 2 419.532 2.054 20 0 HEADLO COc1cc(C)c([C@H](C)NC(=O)COC(=O)C[N@H+](C)[C@H]2CCSC2)cc1OC ZINC000767110104 1079664555 /nfs/dbraw/zinc/66/45/55/1079664555.db2.gz HAKZAIOVKROGIK-GJZGRUSLSA-N 1 2 410.536 2.170 20 0 HEADLO COc1cc(C)c([C@H](C)NC(=O)COC(=O)C[N@@H+](C)[C@H]2CCSC2)cc1OC ZINC000767110104 1079664579 /nfs/dbraw/zinc/66/45/79/1079664579.db2.gz HAKZAIOVKROGIK-GJZGRUSLSA-N 1 2 410.536 2.170 20 0 HEADLO COc1ccc([C@H]2CCCN2C(=O)COC(=O)C[N@H+](C)[C@H]2CCSC2)c(OC)c1 ZINC000767116895 1079683279 /nfs/dbraw/zinc/68/32/79/1079683279.db2.gz OANNSSQWPKOPAO-MAUKXSAKSA-N 1 2 422.547 2.348 20 0 HEADLO COc1ccc([C@H]2CCCN2C(=O)COC(=O)C[N@@H+](C)[C@H]2CCSC2)c(OC)c1 ZINC000767116895 1079683286 /nfs/dbraw/zinc/68/32/86/1079683286.db2.gz OANNSSQWPKOPAO-MAUKXSAKSA-N 1 2 422.547 2.348 20 0 HEADLO CNC(=O)COc1cccc(CC(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)c1 ZINC000772102060 1079702765 /nfs/dbraw/zinc/70/27/65/1079702765.db2.gz WJNAHZYBDCHFHQ-UHFFFAOYSA-N 1 2 424.545 2.205 20 0 HEADLO C[C@@H]1C[N@@H+]([C@@H]2C[C@@H](C(=O)N3CCSC3)N(C(=O)OC(C)(C)C)C2)CCCC1=O ZINC001170038522 1079723700 /nfs/dbraw/zinc/72/37/00/1079723700.db2.gz LUWNDMXCWHENEG-OAGGEKHMSA-N 1 2 411.568 2.198 20 0 HEADLO C[C@@H]1C[N@H+]([C@@H]2C[C@@H](C(=O)N3CCSC3)N(C(=O)OC(C)(C)C)C2)CCCC1=O ZINC001170038522 1079723715 /nfs/dbraw/zinc/72/37/15/1079723715.db2.gz LUWNDMXCWHENEG-OAGGEKHMSA-N 1 2 411.568 2.198 20 0 HEADLO CCOC(=O)c1sc2nc(C[NH+]3CCC(C4OCCO4)CC3)nc(N)c2c1C ZINC000772184244 1079729549 /nfs/dbraw/zinc/72/95/49/1079729549.db2.gz QAWHCZJJONLKAM-UHFFFAOYSA-N 1 2 406.508 2.344 20 0 HEADLO COc1ccc([C@@H](OC)[C@H](C)NC(=O)C(=O)Nc2ccc(C)[nH+]c2N(C)C)cc1 ZINC000772274444 1079776402 /nfs/dbraw/zinc/77/64/02/1079776402.db2.gz HIXZJFFJTOGTLH-KSSFIOAISA-N 1 2 400.479 2.296 20 0 HEADLO CN(C)c1ccc(N2C(=O)C[C@@H]([NH+]3CCC([C@@](C)(O)C(F)(F)F)CC3)C2=O)cc1 ZINC000767359832 1079828669 /nfs/dbraw/zinc/82/86/69/1079828669.db2.gz IFEDQOFXNIDUOJ-VQIMIIECSA-N 1 2 413.440 2.410 20 0 HEADLO Cc1cncc(/C=C/C(=O)OCC(=O)NCc2ccccc2C[NH+]2CCOCC2)c1 ZINC000772385567 1079857232 /nfs/dbraw/zinc/85/72/32/1079857232.db2.gz SERHPCZLRNIMHD-VOTSOKGWSA-N 1 2 409.486 2.095 20 0 HEADLO COC1(C(=O)OCC(=O)NCc2ccccc2C[NH+]2CCOCC2)CCCCC1 ZINC000772447753 1079882437 /nfs/dbraw/zinc/88/24/37/1079882437.db2.gz PFEGDSBNFSMVGN-UHFFFAOYSA-N 1 2 404.507 2.028 20 0 HEADLO Cc1sc(=O)n(CC(=O)OCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)c1-c1ccc(F)cc1 ZINC000767503686 1079907649 /nfs/dbraw/zinc/90/76/49/1079907649.db2.gz QLDGBHPNPWGZGJ-CALCHBBNSA-N 1 2 406.479 2.431 20 0 HEADLO Cc1sc(=O)n(CC(=O)OCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c1-c1ccc(F)cc1 ZINC000767503686 1079907656 /nfs/dbraw/zinc/90/76/56/1079907656.db2.gz QLDGBHPNPWGZGJ-CALCHBBNSA-N 1 2 406.479 2.431 20 0 HEADLO Cc1ccc(C)c(NC(=O)COC(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)c1 ZINC000767538537 1079941230 /nfs/dbraw/zinc/94/12/30/1079941230.db2.gz NWNVCIMCRGPAIP-UHFFFAOYSA-N 1 2 424.501 2.309 20 0 HEADLO CCc1ccc(C(=O)COC(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000767539641 1079943206 /nfs/dbraw/zinc/94/32/06/1079943206.db2.gz PSVLCZDXLHRJRH-UHFFFAOYSA-N 1 2 409.486 2.499 20 0 HEADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)C[C@@H](O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000772591517 1079952416 /nfs/dbraw/zinc/95/24/16/1079952416.db2.gz XYYTUJNHDLMPJE-MRXNPFEDSA-N 1 2 402.322 2.087 20 0 HEADLO CCNC(=O)C[N@H+]1CCCN(C(=O)C[C@@H](O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000772591517 1079952439 /nfs/dbraw/zinc/95/24/39/1079952439.db2.gz XYYTUJNHDLMPJE-MRXNPFEDSA-N 1 2 402.322 2.087 20 0 HEADLO Cc1ccc(C(=O)OCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)cc1S(=O)(=O)NC1CCCC1 ZINC000767567825 1079977250 /nfs/dbraw/zinc/97/72/50/1079977250.db2.gz XVVDATGYHZBZFZ-KDURUIRLSA-N 1 2 422.547 2.236 20 0 HEADLO Cc1ccc(C(=O)OCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)cc1S(=O)(=O)NC1CCCC1 ZINC000767567825 1079977256 /nfs/dbraw/zinc/97/72/56/1079977256.db2.gz XVVDATGYHZBZFZ-KDURUIRLSA-N 1 2 422.547 2.236 20 0 HEADLO COC(=O)c1ccc(S(C)(=O)=O)cc1NC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC001129371970 1080002782 /nfs/dbraw/zinc/00/27/82/1080002782.db2.gz WXJHZHJBYHKJND-UHFFFAOYSA-N 1 2 413.455 2.374 20 0 HEADLO COc1ccc(OC)c([C@@H](C)NC(=O)C(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)c1 ZINC000785500134 1080022218 /nfs/dbraw/zinc/02/22/18/1080022218.db2.gz NOQBJCUFTVZETM-CABCVRRESA-N 1 2 400.479 2.021 20 0 HEADLO CN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000767664131 1080026165 /nfs/dbraw/zinc/02/61/65/1080026165.db2.gz PQVPFJHYYLXGQH-CQSZACIVSA-N 1 2 410.927 2.344 20 0 HEADLO C[N@H+](Cc1cccc(Br)c1OCCS(C)(=O)=O)CC1(C)COC1 ZINC000785529401 1080040779 /nfs/dbraw/zinc/04/07/79/1080040779.db2.gz LVBPXIPEGOJJRV-UHFFFAOYSA-N 1 2 406.342 2.341 20 0 HEADLO C[N@@H+](Cc1cccc(Br)c1OCCS(C)(=O)=O)CC1(C)COC1 ZINC000785529401 1080040789 /nfs/dbraw/zinc/04/07/89/1080040789.db2.gz LVBPXIPEGOJJRV-UHFFFAOYSA-N 1 2 406.342 2.341 20 0 HEADLO CS(=O)(=O)Nc1ccc(N2CC[NH+](C[C@H](O)c3cc(F)ccc3F)CC2)cc1 ZINC000767744432 1080061689 /nfs/dbraw/zinc/06/16/89/1080061689.db2.gz LASHFMGXLZSUII-IBGZPJMESA-N 1 2 411.474 2.192 20 0 HEADLO COc1cccc([C@H]2CN(C(=O)[C@H](C)CS(=O)(=O)c3ccc(F)cc3)CC[NH2+]2)c1 ZINC001169974873 1080079205 /nfs/dbraw/zinc/07/92/05/1080079205.db2.gz LXEVCDVWKNUSEK-FOIQADDNSA-N 1 2 420.506 2.417 20 0 HEADLO COc1cccc([C@@H]2CN(C(=O)C3CCN(C(=O)[C@H](C)CSC)CC3)CC[NH2+]2)c1 ZINC001169975267 1080088155 /nfs/dbraw/zinc/08/81/55/1080088155.db2.gz PIKUYYIRCSXXNF-UZLBHIALSA-N 1 2 419.591 2.406 20 0 HEADLO C[C@]1(c2ccc3c(c2)CCC3)NC(=O)N(C[N@@H+]2CCS[C@H]3COCC[C@H]32)C1=O ZINC000767782552 1080090146 /nfs/dbraw/zinc/09/01/46/1080090146.db2.gz POVVHUJYOSZTPV-LVCYWYKZSA-N 1 2 401.532 2.106 20 0 HEADLO C[C@]1(c2ccc3c(c2)CCC3)NC(=O)N(C[N@H+]2CCS[C@H]3COCC[C@H]32)C1=O ZINC000767782552 1080090153 /nfs/dbraw/zinc/09/01/53/1080090153.db2.gz POVVHUJYOSZTPV-LVCYWYKZSA-N 1 2 401.532 2.106 20 0 HEADLO C[C@]1(c2ccc3c(c2)CCC3)NC(=O)N(C[N@@H+]2CCS[C@H]3COCC[C@@H]32)C1=O ZINC000767782547 1080090321 /nfs/dbraw/zinc/09/03/21/1080090321.db2.gz POVVHUJYOSZTPV-BBTUJRGHSA-N 1 2 401.532 2.106 20 0 HEADLO C[C@]1(c2ccc3c(c2)CCC3)NC(=O)N(C[N@H+]2CCS[C@H]3COCC[C@@H]32)C1=O ZINC000767782547 1080090329 /nfs/dbraw/zinc/09/03/29/1080090329.db2.gz POVVHUJYOSZTPV-BBTUJRGHSA-N 1 2 401.532 2.106 20 0 HEADLO C[C@]1(c2ccc(F)cc2Cl)NC(=O)N(C[N@@H+]2CCS[C@@H]3COCC[C@@H]32)C1=O ZINC000767787862 1080094417 /nfs/dbraw/zinc/09/44/17/1080094417.db2.gz WCDPENBEDAULHR-HDMKZQKVSA-N 1 2 413.902 2.410 20 0 HEADLO C[C@]1(c2ccc(F)cc2Cl)NC(=O)N(C[N@H+]2CCS[C@@H]3COCC[C@@H]32)C1=O ZINC000767787862 1080094430 /nfs/dbraw/zinc/09/44/30/1080094430.db2.gz WCDPENBEDAULHR-HDMKZQKVSA-N 1 2 413.902 2.410 20 0 HEADLO O=C(OCc1nc(-c2ccccc2)cs1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000785656168 1080175456 /nfs/dbraw/zinc/17/54/56/1080175456.db2.gz JMGSHLVVFFLPDF-KRWDZBQOSA-N 1 2 415.515 2.034 20 0 HEADLO CN(C(=O)C[N@H+](CCO)CCNC(=O)OC(C)(C)C)[C@@H]1CCCc2ccccc21 ZINC000767922184 1080217058 /nfs/dbraw/zinc/21/70/58/1080217058.db2.gz GXMJMDOSOVMOJA-LJQANCHMSA-N 1 2 405.539 2.341 20 0 HEADLO CN(C(=O)C[N@@H+](CCO)CCNC(=O)OC(C)(C)C)[C@@H]1CCCc2ccccc21 ZINC000767922184 1080217073 /nfs/dbraw/zinc/21/70/73/1080217073.db2.gz GXMJMDOSOVMOJA-LJQANCHMSA-N 1 2 405.539 2.341 20 0 HEADLO Cc1cccc([C@@H](O)CNC(=O)NCc2cccc(OCC[NH+]3CCOCC3)c2)c1 ZINC000767936628 1080230596 /nfs/dbraw/zinc/23/05/96/1080230596.db2.gz BFZRLHPIFGNXND-QFIPXVFZSA-N 1 2 413.518 2.239 20 0 HEADLO CC(C)(C)OC(=O)N1C[C@@H]([N@@H+]2CCc3ncsc3C2)C[C@H]1C(=O)N1CCSC1 ZINC001170049835 1080249878 /nfs/dbraw/zinc/24/98/78/1080249878.db2.gz FLLVXFHGAPTSMF-ZFWWWQNUSA-N 1 2 424.592 2.412 20 0 HEADLO CC(C)(C)OC(=O)N1C[C@@H]([N@H+]2CCc3ncsc3C2)C[C@H]1C(=O)N1CCSC1 ZINC001170049835 1080249886 /nfs/dbraw/zinc/24/98/86/1080249886.db2.gz FLLVXFHGAPTSMF-ZFWWWQNUSA-N 1 2 424.592 2.412 20 0 HEADLO O=C(NCc1cnc(N2CCOCC2)s1)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000786148886 1080424467 /nfs/dbraw/zinc/42/44/67/1080424467.db2.gz BIBWMTUTWTWEKV-GOSISDBHSA-N 1 2 404.511 2.400 20 0 HEADLO O=C(NCc1cnc(N2CCOCC2)s1)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000786148886 1080424476 /nfs/dbraw/zinc/42/44/76/1080424476.db2.gz BIBWMTUTWTWEKV-GOSISDBHSA-N 1 2 404.511 2.400 20 0 HEADLO Cc1cccc(-c2nnc(SCCC(=O)N3CCN(c4cccc[nH+]4)CC3)n2N)c1 ZINC000768446881 1080565368 /nfs/dbraw/zinc/56/53/68/1080565368.db2.gz CROVSOPSILUEAA-UHFFFAOYSA-N 1 2 423.546 2.193 20 0 HEADLO C[N@@H+]1CCN(C(=O)NC[C@]2(C)CCO[C@H]2C2CC2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000768527820 1080612806 /nfs/dbraw/zinc/61/28/06/1080612806.db2.gz GDUKNQIBKFKPIQ-WWMYMODYSA-N 1 2 410.559 2.042 20 0 HEADLO C[N@H+]1CCN(C(=O)NC[C@]2(C)CCO[C@H]2C2CC2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000768527820 1080612812 /nfs/dbraw/zinc/61/28/12/1080612812.db2.gz GDUKNQIBKFKPIQ-WWMYMODYSA-N 1 2 410.559 2.042 20 0 HEADLO COC(=O)c1cc(S(=O)(=O)N2C[C@H](C)[N@H+](C)C[C@@H]2C)c(F)cc1Br ZINC000768562584 1080632396 /nfs/dbraw/zinc/63/23/96/1080632396.db2.gz OQCGJBLKYQEDRZ-UWVGGRQHSA-N 1 2 423.304 2.088 20 0 HEADLO COC(=O)c1cc(S(=O)(=O)N2C[C@H](C)[N@@H+](C)C[C@@H]2C)c(F)cc1Br ZINC000768562584 1080632405 /nfs/dbraw/zinc/63/24/05/1080632405.db2.gz OQCGJBLKYQEDRZ-UWVGGRQHSA-N 1 2 423.304 2.088 20 0 HEADLO Cc1[nH]nc(C(F)(F)F)c1C(=O)NCCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000746587830 1080632717 /nfs/dbraw/zinc/63/27/17/1080632717.db2.gz CYFHWYIYBKCYNM-UHFFFAOYSA-N 1 2 419.448 2.410 20 0 HEADLO CC(C)[C@H](CNC(=O)C(=O)NCCc1ccc(-c2ccccc2)cc1)[NH+]1CCOCC1 ZINC000786456935 1080638270 /nfs/dbraw/zinc/63/82/70/1080638270.db2.gz DUYFEKHCJBVMLN-QHCPKHFHSA-N 1 2 423.557 2.485 20 0 HEADLO O=C(Nc1cnn(-c2ccccc2Cl)c1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000768712419 1080728398 /nfs/dbraw/zinc/72/83/98/1080728398.db2.gz DNCVDTLKUSFBSC-UHFFFAOYSA-N 1 2 410.865 2.208 20 0 HEADLO CC(C)(C)OC(=O)Cn1cc(COC(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)nn1 ZINC000768806407 1080783093 /nfs/dbraw/zinc/78/30/93/1080783093.db2.gz BGEUNHMSFYFASY-GOSISDBHSA-N 1 2 400.479 2.328 20 0 HEADLO CC(C)(C)OC(=O)Cn1cc(COC(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)nn1 ZINC000768806407 1080783102 /nfs/dbraw/zinc/78/31/02/1080783102.db2.gz BGEUNHMSFYFASY-GOSISDBHSA-N 1 2 400.479 2.328 20 0 HEADLO CC(C)[C@H](CNC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)Cc1ccccc1 ZINC000786758056 1080795712 /nfs/dbraw/zinc/79/57/12/1080795712.db2.gz JAULIMPKUHNLSG-IBGZPJMESA-N 1 2 409.596 2.310 20 0 HEADLO Cn1cccc1C(=O)NCc1cn2c(n1)C[N@H+](C1CC(C)(C)N(O)C(C)(C)C1)CC2 ZINC001169996161 1080799102 /nfs/dbraw/zinc/79/91/02/1080799102.db2.gz NQWAYXYWTRCWJA-UHFFFAOYSA-N 1 2 414.554 2.378 20 0 HEADLO Cn1cccc1C(=O)NCc1cn2c(n1)C[N@@H+](C1CC(C)(C)N(O)C(C)(C)C1)CC2 ZINC001169996161 1080799110 /nfs/dbraw/zinc/79/91/10/1080799110.db2.gz NQWAYXYWTRCWJA-UHFFFAOYSA-N 1 2 414.554 2.378 20 0 HEADLO O=C([C@H]1CCC[N@@H+]1Cc1ccccc1)N(CCCO)S(=O)(=O)c1cccs1 ZINC000768790646 1080800166 /nfs/dbraw/zinc/80/01/66/1080800166.db2.gz SELUJXMWTVMVEM-QGZVFWFLSA-N 1 2 408.545 2.312 20 0 HEADLO O=C([C@H]1CCC[N@H+]1Cc1ccccc1)N(CCCO)S(=O)(=O)c1cccs1 ZINC000768790646 1080800170 /nfs/dbraw/zinc/80/01/70/1080800170.db2.gz SELUJXMWTVMVEM-QGZVFWFLSA-N 1 2 408.545 2.312 20 0 HEADLO COc1ccc(NC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)c2cccnc12 ZINC000768972974 1080870619 /nfs/dbraw/zinc/87/06/19/1080870619.db2.gz UPRFOCNHWLNGAL-UHFFFAOYSA-N 1 2 418.461 2.274 20 0 HEADLO O=C(COC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)NCC1(N2CCOCC2)CCCCC1 ZINC000786885604 1080886095 /nfs/dbraw/zinc/88/60/95/1080886095.db2.gz YHEUUUMEZKYKSC-HXUWFJFHSA-N 1 2 421.582 2.088 20 0 HEADLO O=C(COC(=O)[C@H]1CCC[N@H+]1C1CCCC1)NCC1(N2CCOCC2)CCCCC1 ZINC000786885604 1080886097 /nfs/dbraw/zinc/88/60/97/1080886097.db2.gz YHEUUUMEZKYKSC-HXUWFJFHSA-N 1 2 421.582 2.088 20 0 HEADLO O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)OCc1ccc(C(F)(F)F)cc1 ZINC000786997065 1080908795 /nfs/dbraw/zinc/90/87/95/1080908795.db2.gz NWNRNVCWWPQKCL-QGZVFWFLSA-N 1 2 414.424 2.462 20 0 HEADLO O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)OCc1coc(-c2cccs2)n1 ZINC000787002576 1080914924 /nfs/dbraw/zinc/91/49/24/1080914924.db2.gz SZESIRRKWFYVCS-INIZCTEOSA-N 1 2 419.503 2.160 20 0 HEADLO CCOc1nccc(C)c1C(=O)OCC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000769066493 1080921449 /nfs/dbraw/zinc/92/14/49/1080921449.db2.gz BAAUMYSZSLPEMV-UHFFFAOYSA-N 1 2 403.504 2.351 20 0 HEADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)c2nc(Br)ccc2C)CC1 ZINC000786976224 1080933992 /nfs/dbraw/zinc/93/39/92/1080933992.db2.gz VHNKMKCAIQYYKW-UHFFFAOYSA-N 1 2 411.344 2.169 20 0 HEADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)c2nc(Br)ccc2C)CC1 ZINC000786976224 1080934008 /nfs/dbraw/zinc/93/40/08/1080934008.db2.gz VHNKMKCAIQYYKW-UHFFFAOYSA-N 1 2 411.344 2.169 20 0 HEADLO O=C(NC[C@H](O)c1cc(F)cc(Cl)c1)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000787037305 1080960518 /nfs/dbraw/zinc/96/05/18/1080960518.db2.gz RWTRUERSYDJOMB-FUHWJXTLSA-N 1 2 417.934 2.020 20 0 HEADLO O=C(COC(=O)[C@H](F)c1ccccc1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000769160310 1080978978 /nfs/dbraw/zinc/97/89/78/1080978978.db2.gz QDRLHOZOVVDUNI-OAQYLSRUSA-N 1 2 400.450 2.389 20 0 HEADLO CON(C)C(=O)c1ccc(NC(=O)C[NH+]2CCC(NC(=O)OC(C)(C)C)CC2)cc1 ZINC000769173951 1080988829 /nfs/dbraw/zinc/98/88/29/1080988829.db2.gz AZURNMGILCMPKY-UHFFFAOYSA-N 1 2 420.510 2.248 20 0 HEADLO C[C@H]1COCC[N@@H+]1CCNC(=O)[C@H]1c2ccccc2CCN1C(=O)OC(C)(C)C ZINC000769178260 1080993067 /nfs/dbraw/zinc/99/30/67/1080993067.db2.gz HZIDLMSPSXIPAG-QFBILLFUSA-N 1 2 403.523 2.358 20 0 HEADLO C[C@H]1COCC[N@H+]1CCNC(=O)[C@H]1c2ccccc2CCN1C(=O)OC(C)(C)C ZINC000769178260 1080993086 /nfs/dbraw/zinc/99/30/86/1080993086.db2.gz HZIDLMSPSXIPAG-QFBILLFUSA-N 1 2 403.523 2.358 20 0 HEADLO CSC1(CNC(=O)C[NH+]2CCC(NC(=O)OC(C)(C)C)CC2)CCOCC1 ZINC000769234765 1081011313 /nfs/dbraw/zinc/01/13/13/1081011313.db2.gz IKSLMABUYDEADU-UHFFFAOYSA-N 1 2 401.573 2.004 20 0 HEADLO CC(=O)Nc1ccc(NC(=O)N2CC[N@@H+](C)C[C@H]2CNC(=O)OC(C)(C)C)cc1 ZINC000769237892 1081011688 /nfs/dbraw/zinc/01/16/88/1081011688.db2.gz SFXLGNMWRYLOQL-QGZVFWFLSA-N 1 2 405.499 2.318 20 0 HEADLO CC(=O)Nc1ccc(NC(=O)N2CC[N@H+](C)C[C@H]2CNC(=O)OC(C)(C)C)cc1 ZINC000769237892 1081011699 /nfs/dbraw/zinc/01/16/99/1081011699.db2.gz SFXLGNMWRYLOQL-QGZVFWFLSA-N 1 2 405.499 2.318 20 0 HEADLO CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCN(CC(=O)N3CCc4ccccc43)CC2)C1 ZINC000769297597 1081033047 /nfs/dbraw/zinc/03/30/47/1081033047.db2.gz DJDZMZCBMXNWCL-IBGZPJMESA-N 1 2 414.550 2.203 20 0 HEADLO CC(C)(C)OC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)COc3ccc(F)cc3)CC2)C1 ZINC000769300023 1081034051 /nfs/dbraw/zinc/03/40/51/1081034051.db2.gz UJOWDKOBIQAXDO-QGZVFWFLSA-N 1 2 407.486 2.358 20 0 HEADLO COc1cc(C)c(C[NH+]2CCN(C(=O)COC(=O)CC(C)(C)OC)CC2)cc1OC ZINC000787124071 1081034619 /nfs/dbraw/zinc/03/46/19/1081034619.db2.gz BGLCVDTXUQWXKR-UHFFFAOYSA-N 1 2 422.522 2.015 20 0 HEADLO CC1CCC(NC(=O)CN2CC[NH+]([C@@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)CC1 ZINC000769320744 1081041444 /nfs/dbraw/zinc/04/14/44/1081041444.db2.gz WLTVYGRFKLBXOC-CTWPCTMYSA-N 1 2 408.587 2.308 20 0 HEADLO COc1c(C)c[nH+]c(CNC(=O)C(=O)NCc2ccc(N3CCCCC3)nc2)c1C ZINC000787195548 1081058436 /nfs/dbraw/zinc/05/84/36/1081058436.db2.gz BTYQPRBOESLDJZ-UHFFFAOYSA-N 1 2 411.506 2.025 20 0 HEADLO Cc1nn(C)c(N2CCOCC2)c1C[NH+]1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000769388432 1081060492 /nfs/dbraw/zinc/06/04/92/1081060492.db2.gz LLQAXMQISAGGSI-HZPDHXFCSA-N 1 2 407.559 2.395 20 0 HEADLO COC(=O)c1cccc(NC(=O)C[N@@H+]2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)n1 ZINC000787204365 1081060931 /nfs/dbraw/zinc/06/09/31/1081060931.db2.gz IHZMOQJOEIJHMX-AWEZNQCLSA-N 1 2 406.483 2.043 20 0 HEADLO COC(=O)c1cccc(NC(=O)C[N@H+]2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)n1 ZINC000787204365 1081060938 /nfs/dbraw/zinc/06/09/38/1081060938.db2.gz IHZMOQJOEIJHMX-AWEZNQCLSA-N 1 2 406.483 2.043 20 0 HEADLO CC(C)(C)OC(=O)N1CC[C@@H]([NH+]2CCN([C@@H]3CCN(c4ccccc4)C3=O)CC2)C1 ZINC000769405728 1081064296 /nfs/dbraw/zinc/06/42/96/1081064296.db2.gz YRWBUVWVAQSBPB-WOJBJXKFSA-N 1 2 414.550 2.419 20 0 HEADLO CCOc1cc(/C=C\C(=O)NCC2([NH+]3CCOCC3)CC(OCC)C2)ccc1O ZINC000769459595 1081086725 /nfs/dbraw/zinc/08/67/25/1081086725.db2.gz VXCSCRLEIMQGCO-VURMDHGXSA-N 1 2 404.507 2.190 20 0 HEADLO CCOC(=O)[C@H]1C[N@H+](Cc2sc(N3CCOCC3)nc2-c2ccccc2)CCO1 ZINC000769466797 1081089011 /nfs/dbraw/zinc/08/90/11/1081089011.db2.gz KMBZEMJHZFCJDN-QGZVFWFLSA-N 1 2 417.531 2.411 20 0 HEADLO CCOC(=O)[C@H]1C[N@@H+](Cc2sc(N3CCOCC3)nc2-c2ccccc2)CCO1 ZINC000769466797 1081089022 /nfs/dbraw/zinc/08/90/22/1081089022.db2.gz KMBZEMJHZFCJDN-QGZVFWFLSA-N 1 2 417.531 2.411 20 0 HEADLO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1CN1CCC([N@H+](C)CC(F)F)CC1 ZINC000769508058 1081101206 /nfs/dbraw/zinc/10/12/06/1081101206.db2.gz CXOJTHSHLIAWTH-CQSZACIVSA-N 1 2 424.945 2.366 20 0 HEADLO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1CN1CCC([N@@H+](C)CC(F)F)CC1 ZINC000769508058 1081101213 /nfs/dbraw/zinc/10/12/13/1081101213.db2.gz CXOJTHSHLIAWTH-CQSZACIVSA-N 1 2 424.945 2.366 20 0 HEADLO COCCN1CC[N@H+](C)C2(CCN(c3nccnc3Oc3ccccc3)CC2)C1=O ZINC001164644936 719283055 /nfs/dbraw/zinc/28/30/55/719283055.db2.gz XFNCPSYITAGVKA-UHFFFAOYSA-N 1 2 411.506 2.028 20 0 HEADLO COCCN1CC[N@@H+](C)C2(CCN(c3nccnc3Oc3ccccc3)CC2)C1=O ZINC001164644936 719283056 /nfs/dbraw/zinc/28/30/56/719283056.db2.gz XFNCPSYITAGVKA-UHFFFAOYSA-N 1 2 411.506 2.028 20 0 HEADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc(Cl)nc(SC)n1 ZINC001164699904 719839472 /nfs/dbraw/zinc/83/94/72/719839472.db2.gz ISRUPFMREYVGNA-SJCJKPOMSA-N 1 2 400.932 2.085 20 0 HEADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc(C(=O)OC(C)(C)C)ccn1 ZINC001164699893 719843823 /nfs/dbraw/zinc/84/38/23/719843823.db2.gz ISMFZBGUQJSESS-VGSWGCGISA-N 1 2 419.522 2.270 20 0 HEADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(Cl)nc2c1CSC2 ZINC001164697200 719848203 /nfs/dbraw/zinc/84/82/03/719848203.db2.gz BPYBXNFMGAAPJF-KPZWWZAWSA-N 1 2 412.943 2.110 20 0 HEADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc(C(=O)OC(C)(C)C)cn1 ZINC001164701081 719854080 /nfs/dbraw/zinc/85/40/80/719854080.db2.gz JGJZGHHBSFTTSB-JTSKRJEESA-N 1 2 419.522 2.270 20 0 HEADLO CCCN(CCC)c1cncc(N2CC[C@H]([NH+]3CCOCC3)C[C@@]2(C)C(=O)OC)n1 ZINC001164706695 719862676 /nfs/dbraw/zinc/86/26/76/719862676.db2.gz YMPCYTQYUXJWRD-AVRDEDQJSA-N 1 2 419.570 2.336 20 0 HEADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc(-c2ccc(C)o2)nn1 ZINC001164707956 719873029 /nfs/dbraw/zinc/87/30/29/719873029.db2.gz WTULQQMGEYAAKG-IIBYNOLFSA-N 1 2 400.479 2.278 20 0 HEADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1ncc(F)c3ccccc31)CC2 ZINC001164709258 719910677 /nfs/dbraw/zinc/91/06/77/719910677.db2.gz RVJPTVJHQQDNOC-UHFFFAOYSA-N 1 2 408.481 2.058 20 0 HEADLO COc1cccnc1N1CCC2(CC1)C(=O)N(Cc1csc(C)n1)CC[N@H+]2C ZINC001164823302 720363596 /nfs/dbraw/zinc/36/35/96/720363596.db2.gz DMBRHOXHWWYOFY-UHFFFAOYSA-N 1 2 401.536 2.168 20 0 HEADLO COc1cccnc1N1CCC2(CC1)C(=O)N(Cc1csc(C)n1)CC[N@@H+]2C ZINC001164823302 720363603 /nfs/dbraw/zinc/36/36/03/720363603.db2.gz DMBRHOXHWWYOFY-UHFFFAOYSA-N 1 2 401.536 2.168 20 0 HEADLO CCc1nccc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)n1 ZINC001164819931 720374427 /nfs/dbraw/zinc/37/44/27/720374427.db2.gz JJOOHTXEKRLAFR-UHFFFAOYSA-N 1 2 400.552 2.117 20 0 HEADLO CCc1nccc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)n1 ZINC001164819931 720374434 /nfs/dbraw/zinc/37/44/34/720374434.db2.gz JJOOHTXEKRLAFR-UHFFFAOYSA-N 1 2 400.552 2.117 20 0 HEADLO CCSc1ccnc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)c1 ZINC001164831914 720478947 /nfs/dbraw/zinc/47/89/47/720478947.db2.gz IEXKBXXUENAABS-QGZVFWFLSA-N 1 2 417.579 2.380 20 0 HEADLO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4nc[nH]c5nc(=S)sc4-5)C3)O2)CC1 ZINC001164897449 721430288 /nfs/dbraw/zinc/43/02/88/721430288.db2.gz UDMXDSOCCDANKQ-AUUYWEPGSA-N 1 2 420.608 2.140 20 0 HEADLO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4nc[nH]c5nc(=S)sc4-5)C3)O2)CC1 ZINC001164897449 721430290 /nfs/dbraw/zinc/43/02/90/721430290.db2.gz UDMXDSOCCDANKQ-AUUYWEPGSA-N 1 2 420.608 2.140 20 0 HEADLO COc1cc2ncc(N3CCCn4c(C[N@H+](C)C(C)C)nnc4C3)nc2cc1OC ZINC001165009837 721701931 /nfs/dbraw/zinc/70/19/31/721701931.db2.gz FKJRYCDNSROIAJ-UHFFFAOYSA-N 1 2 411.510 2.489 20 0 HEADLO COc1cc2ncc(N3CCCn4c(C[N@@H+](C)C(C)C)nnc4C3)nc2cc1OC ZINC001165009837 721701938 /nfs/dbraw/zinc/70/19/38/721701938.db2.gz FKJRYCDNSROIAJ-UHFFFAOYSA-N 1 2 411.510 2.489 20 0 HEADLO Cc1nc(Cl)nc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c1C ZINC001164911815 721767695 /nfs/dbraw/zinc/76/76/95/721767695.db2.gz SBRIBBJXFPPDBV-HXUWFJFHSA-N 1 2 403.914 2.250 20 0 HEADLO Cc1nc(Cl)nc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c1C ZINC001164911815 721767700 /nfs/dbraw/zinc/76/77/00/721767700.db2.gz SBRIBBJXFPPDBV-HXUWFJFHSA-N 1 2 403.914 2.250 20 0 HEADLO Cc1cccc2ncc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)nc12 ZINC001164912883 721779849 /nfs/dbraw/zinc/77/98/49/721779849.db2.gz RDUGCQMIDGAKHP-HSZRJFAPSA-N 1 2 405.502 2.441 20 0 HEADLO Cc1cccc2ncc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)nc12 ZINC001164912883 721779857 /nfs/dbraw/zinc/77/98/57/721779857.db2.gz RDUGCQMIDGAKHP-HSZRJFAPSA-N 1 2 405.502 2.441 20 0 HEADLO F[C@H](Oc1ccc(Cl)nc1)N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164916400 721782480 /nfs/dbraw/zinc/78/24/80/721782480.db2.gz QQCPEGQGXVVGRE-PMACEKPBSA-N 1 2 422.888 2.365 20 0 HEADLO F[C@H](Oc1ccc(Cl)nc1)N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164916400 721782485 /nfs/dbraw/zinc/78/24/85/721782485.db2.gz QQCPEGQGXVVGRE-PMACEKPBSA-N 1 2 422.888 2.365 20 0 HEADLO CSc1nc(Cl)ncc1N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164916631 721782587 /nfs/dbraw/zinc/78/25/87/721782587.db2.gz RFNWRKNBIGJDBR-IBGZPJMESA-N 1 2 421.954 2.355 20 0 HEADLO CSc1nc(Cl)ncc1N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164916631 721782590 /nfs/dbraw/zinc/78/25/90/721782590.db2.gz RFNWRKNBIGJDBR-IBGZPJMESA-N 1 2 421.954 2.355 20 0 HEADLO COc1ccc(Cl)c(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164917913 721783166 /nfs/dbraw/zinc/78/31/66/721783166.db2.gz ZUUNKBIGHPBXAD-FQEVSTJZSA-N 1 2 404.898 2.246 20 0 HEADLO COc1ccc(Cl)c(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164917913 721783169 /nfs/dbraw/zinc/78/31/69/721783169.db2.gz ZUUNKBIGHPBXAD-FQEVSTJZSA-N 1 2 404.898 2.246 20 0 HEADLO Cc1nc(CN2CCOC[C@]3(CN(c4nc(C)[nH+]c(C)c4C)CCO3)C2)cs1 ZINC001164920620 721833122 /nfs/dbraw/zinc/83/31/22/721833122.db2.gz GFJDPOJUDWZLOO-HXUWFJFHSA-N 1 2 403.552 2.275 20 0 HEADLO COC(=O)c1c(C)cc(C)[nH+]c1N1CCC2(CC1)COCCN2Cc1ccn(C)n1 ZINC001164932913 721905133 /nfs/dbraw/zinc/90/51/33/721905133.db2.gz BPJWEDSUYWOYTP-UHFFFAOYSA-N 1 2 413.522 2.090 20 0 HEADLO CN(C)c1nc(Cl)cc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)n1 ZINC001164944907 721968710 /nfs/dbraw/zinc/96/87/10/721968710.db2.gz KHSTUEJGVDZXFB-UHFFFAOYSA-N 1 2 414.941 2.167 20 0 HEADLO CN(C)c1nc(Cl)cc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)n1 ZINC001164944907 721968712 /nfs/dbraw/zinc/96/87/12/721968712.db2.gz KHSTUEJGVDZXFB-UHFFFAOYSA-N 1 2 414.941 2.167 20 0 HEADLO COC(=O)c1ccnc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)c1C ZINC001164943781 721972119 /nfs/dbraw/zinc/97/21/19/721972119.db2.gz FADBUFVRYWATRL-UHFFFAOYSA-N 1 2 408.502 2.148 20 0 HEADLO COC(=O)c1ccnc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)c1C ZINC001164943781 721972121 /nfs/dbraw/zinc/97/21/21/721972121.db2.gz FADBUFVRYWATRL-UHFFFAOYSA-N 1 2 408.502 2.148 20 0 HEADLO COc1cc(N2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)nc2ccccc21 ZINC001164997177 722235893 /nfs/dbraw/zinc/23/58/93/722235893.db2.gz NMUGFXNAKRSWSF-UHFFFAOYSA-N 1 2 404.518 2.390 20 0 HEADLO COc1cccc(/C=C(\C(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)n2nnnc2C)c1 ZINC000769751303 1078538579 /nfs/dbraw/zinc/53/85/79/1078538579.db2.gz AMIWCLOKUPUPQH-AMRJIULGSA-N 1 2 407.478 2.128 20 0 HEADLO C[N@@H+]1CCN(S(=O)(=O)CCC(=O)OCc2ccccc2)[C@@H](c2ccccc2)C1 ZINC000769750922 1078539090 /nfs/dbraw/zinc/53/90/90/1078539090.db2.gz BOYFMIGNZXLMKP-HXUWFJFHSA-N 1 2 402.516 2.438 20 0 HEADLO C[N@H+]1CCN(S(=O)(=O)CCC(=O)OCc2ccccc2)[C@@H](c2ccccc2)C1 ZINC000769750922 1078539096 /nfs/dbraw/zinc/53/90/96/1078539096.db2.gz BOYFMIGNZXLMKP-HXUWFJFHSA-N 1 2 402.516 2.438 20 0 HEADLO C[C@H](c1ccccc1)N1C(=O)C(=O)N(C[N@@H+]2CCSC3(CCOCC3)C2)C1=O ZINC000769775176 1078550968 /nfs/dbraw/zinc/55/09/68/1078550968.db2.gz QFDIJFYYZOPEKO-OAHLLOKOSA-N 1 2 403.504 2.094 20 0 HEADLO C[C@H](c1ccccc1)N1C(=O)C(=O)N(C[N@H+]2CCSC3(CCOCC3)C2)C1=O ZINC000769775176 1078550973 /nfs/dbraw/zinc/55/09/73/1078550973.db2.gz QFDIJFYYZOPEKO-OAHLLOKOSA-N 1 2 403.504 2.094 20 0 HEADLO CC(C)(C)OC(=O)N1CCC2(CC[N@H+](Cc3nnnn3CC3CCOCC3)C2)CC1 ZINC000769766399 1078545833 /nfs/dbraw/zinc/54/58/33/1078545833.db2.gz GHKMTPWVEYKGLE-UHFFFAOYSA-N 1 2 420.558 2.323 20 0 HEADLO CC(C)(C)OC(=O)N1CCC2(CC[N@@H+](Cc3nnnn3CC3CCOCC3)C2)CC1 ZINC000769766399 1078545836 /nfs/dbraw/zinc/54/58/36/1078545836.db2.gz GHKMTPWVEYKGLE-UHFFFAOYSA-N 1 2 420.558 2.323 20 0 HEADLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)c2ccc(F)c(S(=O)(=O)N3CCCC3)c2)C1 ZINC000769770378 1078547579 /nfs/dbraw/zinc/54/75/79/1078547579.db2.gz JYHOICZTPWIARN-INIZCTEOSA-N 1 2 420.510 2.364 20 0 HEADLO CCOC(=O)N1CCC(NC(=O)C[NH+]2CCC(O)(c3ccccc3Cl)CC2)CC1 ZINC000769817053 1078559756 /nfs/dbraw/zinc/55/97/56/1078559756.db2.gz MPGHZXIGGYNAHY-UHFFFAOYSA-N 1 2 423.941 2.361 20 0 HEADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1 ZINC000207417240 1078560768 /nfs/dbraw/zinc/56/07/68/1078560768.db2.gz GBSWCLYIILFUHX-DZXKJOIRSA-N 1 2 402.520 2.101 20 0 HEADLO Cc1ccccc1CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1OC[C@@H]3CCC[C@@H]31)C2 ZINC001109535422 1078592332 /nfs/dbraw/zinc/59/23/32/1078592332.db2.gz HZIIDMZHKHCILT-IKHCIZMXSA-N 1 2 411.546 2.148 20 0 HEADLO Cc1ccccc1CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1OC[C@@H]3CCC[C@@H]31)C2 ZINC001109535422 1078592342 /nfs/dbraw/zinc/59/23/42/1078592342.db2.gz HZIIDMZHKHCILT-IKHCIZMXSA-N 1 2 411.546 2.148 20 0 HEADLO Cc1ccc([C@H](C)[C@H](O)C(=O)OCC(=O)N2CC[NH+](Cc3ccsc3)CC2)cc1 ZINC000745754422 1078625632 /nfs/dbraw/zinc/62/56/32/1078625632.db2.gz FJVFDDVIHIWGRP-UWJYYQICSA-N 1 2 416.543 2.409 20 0 HEADLO C[C@H]1C[N@H+](CCNC(=O)N2C[C@@H](CC(=O)N(C)C)c3cc(Cl)ccc32)CCO1 ZINC000745792094 1078649458 /nfs/dbraw/zinc/64/94/58/1078649458.db2.gz OSWDRURJYOBZDQ-LSDHHAIUSA-N 1 2 408.930 2.152 20 0 HEADLO C[C@H]1C[N@@H+](CCNC(=O)N2C[C@@H](CC(=O)N(C)C)c3cc(Cl)ccc32)CCO1 ZINC000745792094 1078649461 /nfs/dbraw/zinc/64/94/61/1078649461.db2.gz OSWDRURJYOBZDQ-LSDHHAIUSA-N 1 2 408.930 2.152 20 0 HEADLO C[C@H](CNC(=O)NCC[N@@H+]1CCO[C@H](C)C1)Oc1cccc(Br)c1 ZINC000745793476 1078650068 /nfs/dbraw/zinc/65/00/68/1078650068.db2.gz UWBXHDIPUVSKCA-ZIAGYGMSSA-N 1 2 400.317 2.236 20 0 HEADLO C[C@H](CNC(=O)NCC[N@H+]1CCO[C@H](C)C1)Oc1cccc(Br)c1 ZINC000745793476 1078650074 /nfs/dbraw/zinc/65/00/74/1078650074.db2.gz UWBXHDIPUVSKCA-ZIAGYGMSSA-N 1 2 400.317 2.236 20 0 HEADLO Cn1ccnc1[C@@H](O)[C@@H]1CCCN(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC000769970512 1078660005 /nfs/dbraw/zinc/66/00/05/1078660005.db2.gz SVBLSSZTXYUTRR-QUCCMNQESA-N 1 2 412.538 2.461 20 0 HEADLO CC[C@@H](c1ccncc1)[N@H+](C)CC(=O)NN1C(=O)N[C@@](CC)(c2ccccc2)C1=O ZINC000769935883 1078664291 /nfs/dbraw/zinc/66/42/91/1078664291.db2.gz DDRGNLSKWDZLCG-AVRDEDQJSA-N 1 2 409.490 2.353 20 0 HEADLO CC[C@@H](c1ccncc1)[N@@H+](C)CC(=O)NN1C(=O)N[C@@](CC)(c2ccccc2)C1=O ZINC000769935883 1078664297 /nfs/dbraw/zinc/66/42/97/1078664297.db2.gz DDRGNLSKWDZLCG-AVRDEDQJSA-N 1 2 409.490 2.353 20 0 HEADLO CC(=O)NC[C@@H]1CCCN(C(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)C1 ZINC000745868531 1078668039 /nfs/dbraw/zinc/66/80/39/1078668039.db2.gz XECFMOOJSNGWKD-SFHVURJKSA-N 1 2 401.555 2.279 20 0 HEADLO Cc1ccc(NC(=O)C(=O)NC2CCC(C(=O)OC(C)(C)C)CC2)c(N(C)C)[nH+]1 ZINC000770089623 1078715164 /nfs/dbraw/zinc/71/51/64/1078715164.db2.gz RPEXQQQXZMVROF-UHFFFAOYSA-N 1 2 404.511 2.411 20 0 HEADLO CN(C)C(=O)c1ccc(NC(=O)C[N@H+](C)[C@H]2CCN(C(=O)OC(C)(C)C)C2)cc1 ZINC000745991818 1078722558 /nfs/dbraw/zinc/72/25/58/1078722558.db2.gz UNIIQKZAVJEIPM-KRWDZBQOSA-N 1 2 404.511 2.268 20 0 HEADLO CN(C)C(=O)c1ccc(NC(=O)C[N@@H+](C)[C@H]2CCN(C(=O)OC(C)(C)C)C2)cc1 ZINC000745991818 1078722565 /nfs/dbraw/zinc/72/25/65/1078722565.db2.gz UNIIQKZAVJEIPM-KRWDZBQOSA-N 1 2 404.511 2.268 20 0 HEADLO C[N@H+](CC(=O)Nc1ccccc1C(=O)NC1CC1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000745991330 1078723114 /nfs/dbraw/zinc/72/31/14/1078723114.db2.gz OFXDDLAJVILXPK-INIZCTEOSA-N 1 2 416.522 2.459 20 0 HEADLO C[N@@H+](CC(=O)Nc1ccccc1C(=O)NC1CC1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000745991330 1078723117 /nfs/dbraw/zinc/72/31/17/1078723117.db2.gz OFXDDLAJVILXPK-INIZCTEOSA-N 1 2 416.522 2.459 20 0 HEADLO C[C@H]1CCCN1S(=O)(=O)N1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000770243594 1078783212 /nfs/dbraw/zinc/78/32/12/1078783212.db2.gz PMLJKKFJKABEPJ-AWEZNQCLSA-N 1 2 407.458 2.432 20 0 HEADLO CCOC1CC(CNC(=O)Nc2ccc3c(c2)CCCN3C)([NH+]2CCOCC2)C1 ZINC000770278519 1078804804 /nfs/dbraw/zinc/80/48/04/1078804804.db2.gz NBOJJGIRHVQWHO-UHFFFAOYSA-N 1 2 402.539 2.460 20 0 HEADLO O=C(NCCN1C(=O)S/C(=C/c2ccccc2F)C1=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000746285559 1078835980 /nfs/dbraw/zinc/83/59/80/1078835980.db2.gz RFDQSQGQKOLBDJ-LUYJPIOASA-N 1 2 414.462 2.437 20 0 HEADLO O=C(CCC(=O)N1CCN(c2cccc[nH+]2)CC1)OCc1cnc2ccccc2n1 ZINC000766339263 1078852104 /nfs/dbraw/zinc/85/21/04/1078852104.db2.gz MMKFLJXXLYLYQG-UHFFFAOYSA-N 1 2 405.458 2.197 20 0 HEADLO CC(C)(C)OC(=O)NC[C@@H](NC(=O)NCC[N@@H+]1CCOCC1(C)C)C1CCCC1 ZINC000770511735 1078872089 /nfs/dbraw/zinc/87/20/89/1078872089.db2.gz FOZBURHCIGTXHF-QGZVFWFLSA-N 1 2 412.575 2.480 20 0 HEADLO CC(C)(C)OC(=O)NC[C@@H](NC(=O)NCC[N@H+]1CCOCC1(C)C)C1CCCC1 ZINC000770511735 1078872091 /nfs/dbraw/zinc/87/20/91/1078872091.db2.gz FOZBURHCIGTXHF-QGZVFWFLSA-N 1 2 412.575 2.480 20 0 HEADLO Cn1cc(C[C@H]2CC(=O)N(C[NH+]3CCC(c4ccc(F)c(F)c4)CC3)C2=O)cn1 ZINC000746378637 1078883841 /nfs/dbraw/zinc/88/38/41/1078883841.db2.gz UJUJWPKBNORWKG-KRWDZBQOSA-N 1 2 402.445 2.453 20 0 HEADLO C[C@@H]1CC[N@H+](Cn2nc(CCC(N)=O)n(C[C@@H]3CCCO3)c2=S)CC12CCC2 ZINC000770671419 1078926551 /nfs/dbraw/zinc/92/65/51/1078926551.db2.gz YTDCPDDDIGDWME-CVEARBPZSA-N 1 2 407.584 2.481 20 0 HEADLO C[C@@H]1CC[N@@H+](Cn2nc(CCC(N)=O)n(C[C@@H]3CCCO3)c2=S)CC12CCC2 ZINC000770671419 1078926557 /nfs/dbraw/zinc/92/65/57/1078926557.db2.gz YTDCPDDDIGDWME-CVEARBPZSA-N 1 2 407.584 2.481 20 0 HEADLO O=C(C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[C@H]1c1c(F)cccc1F)C2)NCC1CC1 ZINC001109706457 1078926893 /nfs/dbraw/zinc/92/68/93/1078926893.db2.gz IFKWCHJFBNTESF-IHYABNQOSA-N 1 2 403.473 2.316 20 0 HEADLO O=C(C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[C@H]1c1c(F)cccc1F)C2)NCC1CC1 ZINC001109706457 1078926898 /nfs/dbraw/zinc/92/68/98/1078926898.db2.gz IFKWCHJFBNTESF-IHYABNQOSA-N 1 2 403.473 2.316 20 0 HEADLO CCOC(=O)C1=C(C[N@@H+]2CCSC3(CCOCC3)C2)NC(=O)N[C@H]1c1ccco1 ZINC000770684599 1078934286 /nfs/dbraw/zinc/93/42/86/1078934286.db2.gz HVJLYIFXIHPEGX-KRWDZBQOSA-N 1 2 421.519 2.049 20 0 HEADLO CCOC(=O)C1=C(C[N@H+]2CCSC3(CCOCC3)C2)NC(=O)N[C@H]1c1ccco1 ZINC000770684599 1078934296 /nfs/dbraw/zinc/93/42/96/1078934296.db2.gz HVJLYIFXIHPEGX-KRWDZBQOSA-N 1 2 421.519 2.049 20 0 HEADLO NC(=O)c1c(NC(=O)C[N@@H+]2CCSC3(CCOCC3)C2)sc2c1CCCC2 ZINC000770685966 1078935410 /nfs/dbraw/zinc/93/54/10/1078935410.db2.gz DEMSNDOSKDKDSG-UHFFFAOYSA-N 1 2 409.577 2.262 20 0 HEADLO NC(=O)c1c(NC(=O)C[N@H+]2CCSC3(CCOCC3)C2)sc2c1CCCC2 ZINC000770685966 1078935417 /nfs/dbraw/zinc/93/54/17/1078935417.db2.gz DEMSNDOSKDKDSG-UHFFFAOYSA-N 1 2 409.577 2.262 20 0 HEADLO CCOC(=O)c1ccc(Br)c(S(=O)(=O)N2CC[N@H+](C)[C@@H](C)[C@@H]2C)c1 ZINC000770717812 1078946247 /nfs/dbraw/zinc/94/62/47/1078946247.db2.gz ZHJSASJHEJEZCZ-RYUDHWBXSA-N 1 2 419.341 2.339 20 0 HEADLO CCOC(=O)c1ccc(Br)c(S(=O)(=O)N2CC[N@@H+](C)[C@@H](C)[C@@H]2C)c1 ZINC000770717812 1078946254 /nfs/dbraw/zinc/94/62/54/1078946254.db2.gz ZHJSASJHEJEZCZ-RYUDHWBXSA-N 1 2 419.341 2.339 20 0 HEADLO C[C@@H]1[C@H](C)[N@H+](C)CCN1S(=O)(=O)C1CCN(C(=O)OCc2ccccc2)CC1 ZINC000770724383 1078950109 /nfs/dbraw/zinc/95/01/09/1078950109.db2.gz USYAWMALULXANM-DLBZAZTESA-N 1 2 409.552 2.142 20 0 HEADLO C[C@@H]1[C@H](C)[N@@H+](C)CCN1S(=O)(=O)C1CCN(C(=O)OCc2ccccc2)CC1 ZINC000770724383 1078950113 /nfs/dbraw/zinc/95/01/13/1078950113.db2.gz USYAWMALULXANM-DLBZAZTESA-N 1 2 409.552 2.142 20 0 HEADLO COc1cccc(OCC[NH+]2CCN(C(=O)[C@@H](C)NC(=O)OC(C)(C)C)CC2)c1 ZINC000766408683 1078957985 /nfs/dbraw/zinc/95/79/85/1078957985.db2.gz LQNADEGSIKHYIP-MRXNPFEDSA-N 1 2 407.511 2.131 20 0 HEADLO CCOC(=O)C1=C(C[N@H+](C)Cc2ccc(O)c(OC)c2)NC(=O)N[C@H]1c1ccco1 ZINC000746450369 1078973207 /nfs/dbraw/zinc/97/32/07/1078973207.db2.gz SSOVFNKNKDYBIO-IBGZPJMESA-N 1 2 415.446 2.297 20 0 HEADLO CCOC(=O)C1=C(C[N@@H+](C)Cc2ccc(O)c(OC)c2)NC(=O)N[C@H]1c1ccco1 ZINC000746450369 1078973215 /nfs/dbraw/zinc/97/32/15/1078973215.db2.gz SSOVFNKNKDYBIO-IBGZPJMESA-N 1 2 415.446 2.297 20 0 HEADLO CCOC1CC(CNC(=O)Nc2ccc3c(c2)C[C@H](OC)C3)([NH+]2CCOCC2)C1 ZINC000770706608 1078976199 /nfs/dbraw/zinc/97/61/99/1078976199.db2.gz AOHXBCJZJLKUTJ-VRKFHHGPSA-N 1 2 403.523 2.192 20 0 HEADLO CCC[C@H]1CN(c2nc(CS(C)(=O)=O)nc(Cl)c2CC)CC[N@@H+]1CCOC ZINC000766427066 1078978765 /nfs/dbraw/zinc/97/87/65/1078978765.db2.gz CBZWWHBMBCGEEJ-AWEZNQCLSA-N 1 2 418.991 2.174 20 0 HEADLO CCC[C@H]1CN(c2nc(CS(C)(=O)=O)nc(Cl)c2CC)CC[N@H+]1CCOC ZINC000766427066 1078978780 /nfs/dbraw/zinc/97/87/80/1078978780.db2.gz CBZWWHBMBCGEEJ-AWEZNQCLSA-N 1 2 418.991 2.174 20 0 HEADLO C[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)N1CC[NH+](CC[S@@](C)=O)CC1 ZINC000746467445 1079017261 /nfs/dbraw/zinc/01/72/61/1079017261.db2.gz KPHDLGXFNWUENF-ADXZGYQBSA-N 1 2 413.587 2.277 20 0 HEADLO C[S@](=O)CC[NH+]1CCN(CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000746468518 1079018437 /nfs/dbraw/zinc/01/84/37/1079018437.db2.gz OUAHLNZUNJHSRV-SANMLTNESA-N 1 2 411.877 2.293 20 0 HEADLO CCOC1CC(CNC(=O)N[C@@H]2CCCc3nc(C)sc32)([NH+]2CCOCC2)C1 ZINC000770795205 1079020076 /nfs/dbraw/zinc/02/00/76/1079020076.db2.gz JUIPHILGVKRDQK-RYZJOYRSSA-N 1 2 408.568 2.398 20 0 HEADLO Cc1ccc(CNC(=O)C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H]2CC[C@@H](C)O2)C3)cc1F ZINC001109738351 1079035040 /nfs/dbraw/zinc/03/50/40/1079035040.db2.gz NAEUVHWIOIWJDX-WNBBLEAESA-N 1 2 403.498 2.039 20 0 HEADLO Cc1ccc(CNC(=O)C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H]2CC[C@@H](C)O2)C3)cc1F ZINC001109738351 1079035044 /nfs/dbraw/zinc/03/50/44/1079035044.db2.gz NAEUVHWIOIWJDX-WNBBLEAESA-N 1 2 403.498 2.039 20 0 HEADLO O=C(CCn1cc[nH+]c1)Nc1cccc(C(=O)N[C@H](CO)C[C@@H](O)c2ccccc2)c1 ZINC000770848556 1079036146 /nfs/dbraw/zinc/03/61/46/1079036146.db2.gz FFIBWATYGBDCPW-LEWJYISDSA-N 1 2 422.485 2.126 20 0 HEADLO Cc1ccc(CNC(=O)C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H]2C[C@H]4CC[C@@H]2O4)C3)cc1F ZINC001109739886 1079038257 /nfs/dbraw/zinc/03/82/57/1079038257.db2.gz GKWKBGXBTDBERQ-QGJLOBTQSA-N 1 2 415.509 2.039 20 0 HEADLO Cc1ccc(CNC(=O)C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H]2C[C@H]4CC[C@@H]2O4)C3)cc1F ZINC001109739886 1079038264 /nfs/dbraw/zinc/03/82/64/1079038264.db2.gz GKWKBGXBTDBERQ-QGJLOBTQSA-N 1 2 415.509 2.039 20 0 HEADLO NC(=O)NC1CC[NH+](CC(=O)Nc2ccccc2C(=O)Nc2ccc(F)cc2)CC1 ZINC000746484162 1079041714 /nfs/dbraw/zinc/04/17/14/1079041714.db2.gz KWGXCITWTPXGHR-UHFFFAOYSA-N 1 2 413.453 2.149 20 0 HEADLO CC(C)(C)OC(=O)NCc1cc(C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)ccn1 ZINC000766507837 1079050039 /nfs/dbraw/zinc/05/00/39/1079050039.db2.gz RNEZMZVHJRCQCK-IBGZPJMESA-N 1 2 418.538 2.433 20 0 HEADLO CCOC1CC(CNC(=S)Nc2ccc3c(c2)OCCCO3)([NH+]2CCOCC2)C1 ZINC000766523621 1079062630 /nfs/dbraw/zinc/06/26/30/1079062630.db2.gz VKOZOZURAPQYLD-UHFFFAOYSA-N 1 2 421.563 2.404 20 0 HEADLO Cn1ncc(I)c1CN1CC[NH+](Cc2cccc(F)c2)CC1 ZINC001168875089 1079065357 /nfs/dbraw/zinc/06/53/57/1079065357.db2.gz WJXYDXKQQINFNT-UHFFFAOYSA-N 1 2 414.266 2.482 20 0 HEADLO CCCOc1ccc(CC(=O)N2CCO[C@@H](C[NH+]3CCOCC3)C2)cc1OCCC ZINC001169003513 1079097370 /nfs/dbraw/zinc/09/73/70/1079097370.db2.gz UPQRXGUQVMZDJX-FQEVSTJZSA-N 1 2 420.550 2.366 20 0 HEADLO CC(C)CN1N=C(C(=O)N[C@H](c2ccc(Cl)cc2)[C@H]2C[N@H+](C)CCO2)CCC1=O ZINC000766568642 1079104730 /nfs/dbraw/zinc/10/47/30/1079104730.db2.gz DJKSQISCJJLNBJ-UYAOXDASSA-N 1 2 420.941 2.462 20 0 HEADLO CC(C)CN1N=C(C(=O)N[C@H](c2ccc(Cl)cc2)[C@H]2C[N@@H+](C)CCO2)CCC1=O ZINC000766568642 1079104731 /nfs/dbraw/zinc/10/47/31/1079104731.db2.gz DJKSQISCJJLNBJ-UYAOXDASSA-N 1 2 420.941 2.462 20 0 HEADLO CCOC(=O)[C@H](Nc1cccc(C(=[NH2+])OC)c1)[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC001169042624 1079108900 /nfs/dbraw/zinc/10/89/00/1079108900.db2.gz FQCFZOBBHIVSCY-MSOLQXFVSA-N 1 2 420.487 2.139 20 0 HEADLO O=C(NCC[NH+]1CCN(c2cccc(Cl)c2)CC1)c1ccc(-n2ccnc2)nc1 ZINC000766584303 1079134204 /nfs/dbraw/zinc/13/42/04/1079134204.db2.gz SNIUQEKZHUWYHR-UHFFFAOYSA-N 1 2 410.909 2.473 20 0 HEADLO COC(=O)[C@@H]1C[C@@H](Nc2cnc(N3CCCCC3)nc2OCc2ccccc2)C[NH2+]1 ZINC001169132562 1079152196 /nfs/dbraw/zinc/15/21/96/1079152196.db2.gz QQGAIHRKSMJAEX-MSOLQXFVSA-N 1 2 411.506 2.361 20 0 HEADLO Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)NCCn1c[nH+]cc1-c1ccccc1 ZINC001169157864 1079168469 /nfs/dbraw/zinc/16/84/69/1079168469.db2.gz BQOQXQHDULKCAG-UHFFFAOYSA-N 1 2 402.476 2.132 20 0 HEADLO NC(Cc1cccnc1)=[NH+]OCC(=O)Nc1cccc(I)c1 ZINC000771260085 1079251500 /nfs/dbraw/zinc/25/15/00/1079251500.db2.gz IBVNCLGOWYOKRD-UHFFFAOYSA-N 1 2 410.215 2.366 20 0 HEADLO O=C(NCCN(Cc1ccccc1)c1cccc[nH+]1)N1CC[C@H](Cn2ccnn2)C1 ZINC001687511067 1079268040 /nfs/dbraw/zinc/26/80/40/1079268040.db2.gz MAULXOLOQJVYCY-FQEVSTJZSA-N 1 2 405.506 2.411 20 0 HEADLO O=C(CCNS(=O)(=O)c1ccc(F)cc1)OCc1ccc(-n2cc[nH+]c2)cc1 ZINC000771318246 1079284672 /nfs/dbraw/zinc/28/46/72/1079284672.db2.gz RYGRDMIYBGDBDQ-UHFFFAOYSA-N 1 2 403.435 2.423 20 0 HEADLO COC(=O)c1cc(OC)nc(N[C@H]2C[C@H](C(=O)OCc3ccccc3)CCC[NH2+]2)n1 ZINC001169504513 1079316434 /nfs/dbraw/zinc/31/64/34/1079316434.db2.gz PDMKZHBYYXBUTM-WBVHZDCISA-N 1 2 414.462 2.143 20 0 HEADLO COC(=O)[C@]1(NC(=O)c2ccc(-c3nnc[nH]3)cc2)CCC[N@H+](Cc2ccccc2)C1 ZINC000771396251 1079321170 /nfs/dbraw/zinc/32/11/70/1079321170.db2.gz DULIMTUGYVFCIC-QHCPKHFHSA-N 1 2 419.485 2.409 20 0 HEADLO COC(=O)[C@]1(NC(=O)c2ccc(-c3nnc[nH]3)cc2)CCC[N@@H+](Cc2ccccc2)C1 ZINC000771396251 1079321178 /nfs/dbraw/zinc/32/11/78/1079321178.db2.gz DULIMTUGYVFCIC-QHCPKHFHSA-N 1 2 419.485 2.409 20 0 HEADLO CC(=O)N1CCC[C@H]([N@H+]2Cc3ncn(C)c3[C@H](COCc3csc(C)n3)C2)C1 ZINC001169616648 1079353661 /nfs/dbraw/zinc/35/36/61/1079353661.db2.gz XJXHPQIVEIGKGE-WMZOPIPTSA-N 1 2 403.552 2.312 20 0 HEADLO CC(=O)N1CCC[C@H]([N@@H+]2Cc3ncn(C)c3[C@H](COCc3csc(C)n3)C2)C1 ZINC001169616648 1079353668 /nfs/dbraw/zinc/35/36/68/1079353668.db2.gz XJXHPQIVEIGKGE-WMZOPIPTSA-N 1 2 403.552 2.312 20 0 HEADLO CN(C(=O)CSCC(=O)N1CC[NH+](CCc2ccncc2)CC1)C1CCCCC1 ZINC001169664882 1079360396 /nfs/dbraw/zinc/36/03/96/1079360396.db2.gz AOBVNGBWYVQSSJ-UHFFFAOYSA-N 1 2 418.607 2.293 20 0 HEADLO COc1ccc(C(=O)OCC(=O)N2CC[NH+](Cc3cccs3)CC2)nc1Cl ZINC000766780080 1079363504 /nfs/dbraw/zinc/36/35/04/1079363504.db2.gz MYZWPGOKNYQISI-UHFFFAOYSA-N 1 2 409.895 2.306 20 0 HEADLO CC(C)(C)OC(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000771563211 1079386328 /nfs/dbraw/zinc/38/63/28/1079386328.db2.gz VQIAFJYGOFCTLZ-WOJBJXKFSA-N 1 2 415.534 2.282 20 0 HEADLO CC(=O)NCC[N@@H+](Cc1ccc(Cl)cc1Cl)C[C@@H](O)CC1(O)CCOCC1 ZINC001169754827 1079397239 /nfs/dbraw/zinc/39/72/39/1079397239.db2.gz PTWYCBUFUBOYHO-KRWDZBQOSA-N 1 2 419.349 2.224 20 0 HEADLO CC(=O)NCC[N@H+](Cc1ccc(Cl)cc1Cl)C[C@@H](O)CC1(O)CCOCC1 ZINC001169754827 1079397248 /nfs/dbraw/zinc/39/72/48/1079397248.db2.gz PTWYCBUFUBOYHO-KRWDZBQOSA-N 1 2 419.349 2.224 20 0 HEADLO O=C(c1ccccc1)N1CCC[C@@H]([N@H+]2Cc3nccn3C[C@H](CN3CCCC3=O)C2)C1 ZINC001169768674 1079401899 /nfs/dbraw/zinc/40/18/99/1079401899.db2.gz AATPJCLZZSCEAJ-TZIWHRDSSA-N 1 2 421.545 2.242 20 0 HEADLO O=C(c1ccccc1)N1CCC[C@@H]([N@@H+]2Cc3nccn3C[C@H](CN3CCCC3=O)C2)C1 ZINC001169768674 1079401925 /nfs/dbraw/zinc/40/19/25/1079401925.db2.gz AATPJCLZZSCEAJ-TZIWHRDSSA-N 1 2 421.545 2.242 20 0 HEADLO CCO[C@@H]1C[C@@](NC(=O)OC(C)(C)C)(C(=O)N[C@H]2CCc3c[nH+]cn3C2)C1(C)C ZINC000804338423 1079409829 /nfs/dbraw/zinc/40/98/29/1079409829.db2.gz PUBRKINKJUMEIK-CMPZQBNXSA-N 1 2 406.527 2.413 20 0 HEADLO COCCNS(=O)(=O)c1cccc(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC001169842271 1079441547 /nfs/dbraw/zinc/44/15/47/1079441547.db2.gz SUGUKFYZBACOCK-UHFFFAOYSA-N 1 2 400.460 2.049 20 0 HEADLO CS(=O)(=O)C1CCC([N@@H+]2CCO[C@@H]3[C@@H](COCc4cccnc4)CC[C@@H]32)CC1 ZINC001169885689 1079458906 /nfs/dbraw/zinc/45/89/06/1079458906.db2.gz SYVYNNQJAGRCLQ-FEKWIAJESA-N 1 2 408.564 2.433 20 0 HEADLO CS(=O)(=O)C1CCC([N@H+]2CCO[C@@H]3[C@@H](COCc4cccnc4)CC[C@@H]32)CC1 ZINC001169885689 1079458914 /nfs/dbraw/zinc/45/89/14/1079458914.db2.gz SYVYNNQJAGRCLQ-FEKWIAJESA-N 1 2 408.564 2.433 20 0 HEADLO COC(=O)c1ccn(CCCC(=O)N2CC[NH+](Cc3cc4ccccc4[nH]3)CC2)n1 ZINC001169903295 1079471108 /nfs/dbraw/zinc/47/11/08/1079471108.db2.gz AHSIQFOPFIRQEV-UHFFFAOYSA-N 1 2 409.490 2.276 20 0 HEADLO C/C(=C\C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1)c1ccc(F)cc1 ZINC000737753254 1075922443 /nfs/dbraw/zinc/92/24/43/1075922443.db2.gz SYXFSVMKFGACLD-SAPNQHFASA-N 1 2 411.481 2.204 20 0 HEADLO C/C(=C\C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1)c1ccc(F)cc1 ZINC000737753254 1075922447 /nfs/dbraw/zinc/92/24/47/1075922447.db2.gz SYXFSVMKFGACLD-SAPNQHFASA-N 1 2 411.481 2.204 20 0 HEADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000766232437 1075941769 /nfs/dbraw/zinc/94/17/69/1075941769.db2.gz OFHDSOKZOQXYON-INIZCTEOSA-N 1 2 408.499 2.037 20 0 HEADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000766232437 1075941778 /nfs/dbraw/zinc/94/17/78/1075941778.db2.gz OFHDSOKZOQXYON-INIZCTEOSA-N 1 2 408.499 2.037 20 0 HEADLO CC[C@]1(C(C)C)NC(=O)N(C[NH+]2CCC(NC(=O)c3ccc(F)cc3)CC2)C1=O ZINC000738025349 1075953264 /nfs/dbraw/zinc/95/32/64/1075953264.db2.gz WUMXJLSUVZTCML-OAQYLSRUSA-N 1 2 404.486 2.334 20 0 HEADLO CN(C[C@@H]1CCC[N@H+](CN2C(=O)C(=O)N(C3CCCC3)C2=O)C1)C(=O)OC(C)(C)C ZINC000738087180 1075959424 /nfs/dbraw/zinc/95/94/24/1075959424.db2.gz WZHIFMMARVLLMH-HNNXBMFYSA-N 1 2 422.526 2.256 20 0 HEADLO CN(C[C@@H]1CCC[N@@H+](CN2C(=O)C(=O)N(C3CCCC3)C2=O)C1)C(=O)OC(C)(C)C ZINC000738087180 1075959427 /nfs/dbraw/zinc/95/94/27/1075959427.db2.gz WZHIFMMARVLLMH-HNNXBMFYSA-N 1 2 422.526 2.256 20 0 HEADLO COC(=O)[C@H]1CCC[N@H+](CN2C(=O)N[C@@](C)(c3ccc(CC(C)C)cc3)C2=O)C1 ZINC000738060686 1075961807 /nfs/dbraw/zinc/96/18/07/1075961807.db2.gz IGISGTQIIRTXCH-JTSKRJEESA-N 1 2 401.507 2.495 20 0 HEADLO COC(=O)[C@H]1CCC[N@@H+](CN2C(=O)N[C@@](C)(c3ccc(CC(C)C)cc3)C2=O)C1 ZINC000738060686 1075961811 /nfs/dbraw/zinc/96/18/11/1075961811.db2.gz IGISGTQIIRTXCH-JTSKRJEESA-N 1 2 401.507 2.495 20 0 HEADLO C[C@H]1C[N@H+](CN2C(=O)N[C@@](C)(c3ccc(F)cc3Br)C2=O)CCCO1 ZINC000738163435 1075971791 /nfs/dbraw/zinc/97/17/91/1075971791.db2.gz WYFOHDVVKSEMKE-GTNSWQLSSA-N 1 2 414.275 2.424 20 0 HEADLO C[C@H]1C[N@@H+](CN2C(=O)N[C@@](C)(c3ccc(F)cc3Br)C2=O)CCCO1 ZINC000738163435 1075971800 /nfs/dbraw/zinc/97/18/00/1075971800.db2.gz WYFOHDVVKSEMKE-GTNSWQLSSA-N 1 2 414.275 2.424 20 0 HEADLO O=C(NCCN1CC[NH+](C[C@H](O)c2ccc(F)c(F)c2)CC1)c1ccccc1F ZINC000738330749 1075983008 /nfs/dbraw/zinc/98/30/08/1075983008.db2.gz VUTSZEUJLHGMEJ-FQEVSTJZSA-N 1 2 407.436 2.185 20 0 HEADLO Cc1ccc(-c2cnn(CN3CCN(c4cc(N5CCOCC5)[nH+]cn4)CC3)c2)cc1 ZINC000738288764 1075984981 /nfs/dbraw/zinc/98/49/81/1075984981.db2.gz LJKDOMQQXUFHAL-UHFFFAOYSA-N 1 2 419.533 2.265 20 0 HEADLO C[N@H+](CCN1CCN(C(=O)OC(C)(C)C)CC1)CC(=O)Nc1ccc(F)cc1F ZINC000738326236 1075990483 /nfs/dbraw/zinc/99/04/83/1075990483.db2.gz LECTVHHZNHLOAL-UHFFFAOYSA-N 1 2 412.481 2.388 20 0 HEADLO C[N@@H+](CCN1CCN(C(=O)OC(C)(C)C)CC1)CC(=O)Nc1ccc(F)cc1F ZINC000738326236 1075990487 /nfs/dbraw/zinc/99/04/87/1075990487.db2.gz LECTVHHZNHLOAL-UHFFFAOYSA-N 1 2 412.481 2.388 20 0 HEADLO CN(CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000738326968 1075991044 /nfs/dbraw/zinc/99/10/44/1075991044.db2.gz RKKLJYIEOJPYFX-UHFFFAOYSA-N 1 2 401.511 2.320 20 0 HEADLO O=C(c1ccc(S(=O)(=O)Oc2cccc(-n3cc[nH+]c3)c2)cc1)N1CCOCC1 ZINC000738391526 1075993669 /nfs/dbraw/zinc/99/36/69/1075993669.db2.gz JTIVOYOUGTUWAQ-UHFFFAOYSA-N 1 2 413.455 2.112 20 0 HEADLO CN(CC[NH+]1CCN(c2ccccc2)CC1)S(=O)(=O)Cc1ccc(Cl)nc1 ZINC000738409951 1075995319 /nfs/dbraw/zinc/99/53/19/1075995319.db2.gz QJZHJMXBXCZMFV-UHFFFAOYSA-N 1 2 408.955 2.319 20 0 HEADLO CC(C)(C)OC(=O)N1CC[NH+](CCCNC(=O)NCc2ccc(O)c(F)c2)CC1 ZINC000738976687 1076028632 /nfs/dbraw/zinc/02/86/32/1076028632.db2.gz QRWQTGYZJHPXKC-UHFFFAOYSA-N 1 2 410.490 2.273 20 0 HEADLO CC(C)(C)OC(=O)NC(C)(C)CC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000739705030 1076073956 /nfs/dbraw/zinc/07/39/56/1076073956.db2.gz DCYXRSMVMVCDJV-IBGZPJMESA-N 1 2 401.573 2.004 20 0 HEADLO COC(=O)c1cc(S(=O)(=O)NCc2ccc(-n3cc[nH+]c3)cc2)ccc1OC ZINC000739949339 1076096346 /nfs/dbraw/zinc/09/63/46/1076096346.db2.gz PQBDWGXYJPYFRT-UHFFFAOYSA-N 1 2 401.444 2.146 20 0 HEADLO C[N@@H+]1CCO[C@H]([C@@H](NC(=O)NCc2nc(C3CC3)no2)c2ccc(Cl)cc2)C1 ZINC000766252268 1076163202 /nfs/dbraw/zinc/16/32/02/1076163202.db2.gz ZYPSIDNCTUODPO-RDJZCZTQSA-N 1 2 405.886 2.472 20 0 HEADLO C[N@H+]1CCO[C@H]([C@@H](NC(=O)NCc2nc(C3CC3)no2)c2ccc(Cl)cc2)C1 ZINC000766252268 1076163213 /nfs/dbraw/zinc/16/32/13/1076163213.db2.gz ZYPSIDNCTUODPO-RDJZCZTQSA-N 1 2 405.886 2.472 20 0 HEADLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)Nc1ccc(O[C@H]2CCOC2)cc1 ZINC000740490498 1076171787 /nfs/dbraw/zinc/17/17/87/1076171787.db2.gz DSGFTYVMPGTCBJ-ZWKOTPCHSA-N 1 2 400.479 2.220 20 0 HEADLO C[C@@H](CNC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1)CC1(C)OCCO1 ZINC000740733261 1076219107 /nfs/dbraw/zinc/21/91/07/1076219107.db2.gz GEFIXJAIKBHOIS-MRXNPFEDSA-N 1 2 400.479 2.431 20 0 HEADLO COc1cc(C(=O)N2CC[NH+](CCn3cncn3)CC2)ccc1OCc1ccccc1 ZINC000740738842 1076223338 /nfs/dbraw/zinc/22/33/38/1076223338.db2.gz RDSJICVLPAIWAC-UHFFFAOYSA-N 1 2 421.501 2.324 20 0 HEADLO C[C@@H]1C[N@H+](CN2C(=O)N[C@@H](Cc3ccccc3)C2=O)CC[C@H]1NC(=O)OC(C)(C)C ZINC000740858070 1076270177 /nfs/dbraw/zinc/27/01/77/1076270177.db2.gz UJTKFMGLQRUPKT-NXHRZFHOSA-N 1 2 416.522 2.342 20 0 HEADLO C[C@@H]1C[N@@H+](CN2C(=O)N[C@@H](Cc3ccccc3)C2=O)CC[C@H]1NC(=O)OC(C)(C)C ZINC000740858070 1076270186 /nfs/dbraw/zinc/27/01/86/1076270186.db2.gz UJTKFMGLQRUPKT-NXHRZFHOSA-N 1 2 416.522 2.342 20 0 HEADLO C[C@@H]1C[N@H+](CN2C(=O)N[C@H](Cc3ccccc3)C2=O)CC[C@H]1NC(=O)OC(C)(C)C ZINC000740858068 1076270415 /nfs/dbraw/zinc/27/04/15/1076270415.db2.gz UJTKFMGLQRUPKT-KBAYOESNSA-N 1 2 416.522 2.342 20 0 HEADLO C[C@@H]1C[N@@H+](CN2C(=O)N[C@H](Cc3ccccc3)C2=O)CC[C@H]1NC(=O)OC(C)(C)C ZINC000740858068 1076270430 /nfs/dbraw/zinc/27/04/30/1076270430.db2.gz UJTKFMGLQRUPKT-KBAYOESNSA-N 1 2 416.522 2.342 20 0 HEADLO C[C@@H]1C[N@H+](C[C@H](O)c2ccc(S(C)(=O)=O)cc2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000740882666 1076281383 /nfs/dbraw/zinc/28/13/83/1076281383.db2.gz FVSUKXKOBYWIJU-JLSDUUJJSA-N 1 2 412.552 2.359 20 0 HEADLO C[C@@H]1C[N@@H+](C[C@H](O)c2ccc(S(C)(=O)=O)cc2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000740882666 1076281390 /nfs/dbraw/zinc/28/13/90/1076281390.db2.gz FVSUKXKOBYWIJU-JLSDUUJJSA-N 1 2 412.552 2.359 20 0 HEADLO COc1ccc(C(=O)NC(=O)C[N@@H+]2CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)cc1 ZINC000740884320 1076283763 /nfs/dbraw/zinc/28/37/63/1076283763.db2.gz VHBAZAFATIDLAL-WMLDXEAASA-N 1 2 405.495 2.187 20 0 HEADLO COc1ccc(C(=O)NC(=O)C[N@H+]2CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)cc1 ZINC000740884320 1076283775 /nfs/dbraw/zinc/28/37/75/1076283775.db2.gz VHBAZAFATIDLAL-WMLDXEAASA-N 1 2 405.495 2.187 20 0 HEADLO COc1ccc(C(=O)NC(=O)C[N@@H+]2CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)cc1 ZINC000740884321 1076284371 /nfs/dbraw/zinc/28/43/71/1076284371.db2.gz VHBAZAFATIDLAL-YOEHRIQHSA-N 1 2 405.495 2.187 20 0 HEADLO COc1ccc(C(=O)NC(=O)C[N@H+]2CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)cc1 ZINC000740884321 1076284378 /nfs/dbraw/zinc/28/43/78/1076284378.db2.gz VHBAZAFATIDLAL-YOEHRIQHSA-N 1 2 405.495 2.187 20 0 HEADLO O=C1OCCN1c1ccc(S(=O)(=O)N2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000740890214 1076290730 /nfs/dbraw/zinc/29/07/30/1076290730.db2.gz MSJHQPPRPGOXTC-UHFFFAOYSA-N 1 2 415.515 2.192 20 0 HEADLO CCNC(=O)NC(=O)COC(=O)[C@H](c1cccc(C(F)(F)F)c1)[NH+](CC)CC ZINC000741025363 1076341259 /nfs/dbraw/zinc/34/12/59/1076341259.db2.gz FMCWUSTYUWTBQS-HNNXBMFYSA-N 1 2 403.401 2.477 20 0 HEADLO C[C@@](O)(CNC(=O)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1)c1ccsc1 ZINC000741086836 1076349790 /nfs/dbraw/zinc/34/97/90/1076349790.db2.gz QRNYNKSJSCKQME-PZJWPPBQSA-N 1 2 403.548 2.198 20 0 HEADLO CCN(CC)C(=O)c1ccccc1NC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000741063532 1076351125 /nfs/dbraw/zinc/35/11/25/1076351125.db2.gz NFHGMNRYBGXOOA-UHFFFAOYSA-N 1 2 414.510 2.341 20 0 HEADLO CC(C)(C)NC(=O)c1ccccc1NC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000741068605 1076351852 /nfs/dbraw/zinc/35/18/52/1076351852.db2.gz RRSQTLDXGPFZNX-UHFFFAOYSA-N 1 2 414.510 2.388 20 0 HEADLO CC(C)(C)OC(=O)N1CC[C@H](C[NH+]2CCN(S(=O)(=O)c3ccccc3)CC2)C1 ZINC000741155785 1076389087 /nfs/dbraw/zinc/38/90/87/1076389087.db2.gz RLQFTTLIDZPMEF-QGZVFWFLSA-N 1 2 409.552 2.250 20 0 HEADLO CCCn1c(COC(=O)[C@@H]2CCCC[N@@H+]2C)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000741145590 1076391774 /nfs/dbraw/zinc/39/17/74/1076391774.db2.gz XFXSINUOWRPLST-SFHVURJKSA-N 1 2 422.551 2.224 20 0 HEADLO CCCn1c(COC(=O)[C@@H]2CCCC[N@H+]2C)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000741145590 1076391777 /nfs/dbraw/zinc/39/17/77/1076391777.db2.gz XFXSINUOWRPLST-SFHVURJKSA-N 1 2 422.551 2.224 20 0 HEADLO CCOC(=O)C1C(COC(=O)[C@H]2CCCC[N@@H+]2CC)=NC(=O)N[C@H]1c1ccccc1 ZINC000741146951 1076392640 /nfs/dbraw/zinc/39/26/40/1076392640.db2.gz RJFHIWDUXWKYQT-MJGOQNOKSA-N 1 2 415.490 2.275 20 0 HEADLO CCOC(=O)C1C(COC(=O)[C@H]2CCCC[N@H+]2CC)=NC(=O)N[C@H]1c1ccccc1 ZINC000741146951 1076392646 /nfs/dbraw/zinc/39/26/46/1076392646.db2.gz RJFHIWDUXWKYQT-MJGOQNOKSA-N 1 2 415.490 2.275 20 0 HEADLO C[N@@H+]1CCCC[C@H]1C(=O)OCC(=O)Nc1ccc(I)cc1 ZINC000741146393 1076392675 /nfs/dbraw/zinc/39/26/75/1076392675.db2.gz IQMNJKZCBIOFRM-ZDUSSCGKSA-N 1 2 402.232 2.257 20 0 HEADLO C[N@H+]1CCCC[C@H]1C(=O)OCC(=O)Nc1ccc(I)cc1 ZINC000741146393 1076392678 /nfs/dbraw/zinc/39/26/78/1076392678.db2.gz IQMNJKZCBIOFRM-ZDUSSCGKSA-N 1 2 402.232 2.257 20 0 HEADLO CC[NH+]1CCN(c2ccc(C(=O)OCC(=O)NC(=O)c3ccccc3)cc2F)CC1 ZINC000741340179 1076472476 /nfs/dbraw/zinc/47/24/76/1076472476.db2.gz AQPGSOXXGGZYTB-UHFFFAOYSA-N 1 2 413.449 2.081 20 0 HEADLO CC(C)n1nccc1NC(=O)[C@H](C)OC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000741382606 1076506872 /nfs/dbraw/zinc/50/68/72/1076506872.db2.gz QOFYLMHBQXJBBK-FUHWJXTLSA-N 1 2 400.479 2.235 20 0 HEADLO CC(C)n1nccc1NC(=O)[C@H](C)OC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000741382606 1076506878 /nfs/dbraw/zinc/50/68/78/1076506878.db2.gz QOFYLMHBQXJBBK-FUHWJXTLSA-N 1 2 400.479 2.235 20 0 HEADLO CC(C)N(CC(F)(F)F)C(=O)COC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000741383080 1076506893 /nfs/dbraw/zinc/50/68/93/1076506893.db2.gz SKOBZSSCSNDZSZ-MRXNPFEDSA-N 1 2 402.413 2.230 20 0 HEADLO CC(C)N(CC(F)(F)F)C(=O)COC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000741383080 1076506902 /nfs/dbraw/zinc/50/69/02/1076506902.db2.gz SKOBZSSCSNDZSZ-MRXNPFEDSA-N 1 2 402.413 2.230 20 0 HEADLO C[C@@H](OC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1)C(=O)N1CCc2ccccc2C1 ZINC000741382524 1076507498 /nfs/dbraw/zinc/50/74/98/1076507498.db2.gz OSCIHPYTAXUAHR-GCJKJVERSA-N 1 2 408.498 2.404 20 0 HEADLO C[C@@H](OC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)C(=O)N1CCc2ccccc2C1 ZINC000741382524 1076507504 /nfs/dbraw/zinc/50/75/04/1076507504.db2.gz OSCIHPYTAXUAHR-GCJKJVERSA-N 1 2 408.498 2.404 20 0 HEADLO O=C(COC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1)NCc1ccc(Cl)cc1 ZINC000741383356 1076507900 /nfs/dbraw/zinc/50/79/00/1076507900.db2.gz LUGADEJGSPYVDX-LJQANCHMSA-N 1 2 402.878 2.400 20 0 HEADLO O=C(COC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1)NCc1ccc(Cl)cc1 ZINC000741383356 1076507908 /nfs/dbraw/zinc/50/79/08/1076507908.db2.gz LUGADEJGSPYVDX-LJQANCHMSA-N 1 2 402.878 2.400 20 0 HEADLO C[C@@H](NC(=O)COC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1)c1ccc(F)cc1 ZINC000741386141 1076509107 /nfs/dbraw/zinc/50/91/07/1076509107.db2.gz VEBYSVRJMSCHQM-UZLBHIALSA-N 1 2 400.450 2.447 20 0 HEADLO C[C@@H](NC(=O)COC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ccc(F)cc1 ZINC000741386141 1076509116 /nfs/dbraw/zinc/50/91/16/1076509116.db2.gz VEBYSVRJMSCHQM-UZLBHIALSA-N 1 2 400.450 2.447 20 0 HEADLO CN(C(=O)c1ccc2c(c1)[nH]c(=S)n(Cc1ccco1)c2=O)[C@@H]1CCC[N@H+](C)C1 ZINC000741720635 1076593633 /nfs/dbraw/zinc/59/36/33/1076593633.db2.gz SWEPILHFBDDPSN-OAHLLOKOSA-N 1 2 412.515 2.493 20 0 HEADLO CN(C(=O)c1ccc2c(c1)[nH]c(=S)n(Cc1ccco1)c2=O)[C@@H]1CCC[N@@H+](C)C1 ZINC000741720635 1076593640 /nfs/dbraw/zinc/59/36/40/1076593640.db2.gz SWEPILHFBDDPSN-OAHLLOKOSA-N 1 2 412.515 2.493 20 0 HEADLO C[C@@H](C(=O)Nc1sccc1C(N)=O)[NH+]1CCC(C(=O)Nc2ccccc2O)CC1 ZINC000741723556 1076594025 /nfs/dbraw/zinc/59/40/25/1076594025.db2.gz BOKMKRMZEZWDLO-LBPRGKRZSA-N 1 2 416.503 2.230 20 0 HEADLO C[C@H](C(=O)NC1CCCC1)N1CC[NH+](C[C@H]2CN(c3ccccc3)C(=O)O2)CC1 ZINC000741780479 1076624797 /nfs/dbraw/zinc/62/47/97/1076624797.db2.gz YUQALMHNHKXSHG-XLIONFOSSA-N 1 2 400.523 2.077 20 0 HEADLO COc1cccc(OC)c1OC[C@@H](O)C[N@@H+]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000741800065 1076640957 /nfs/dbraw/zinc/64/09/57/1076640957.db2.gz VPDZPTGILAKFPQ-HOTGVXAUSA-N 1 2 410.511 2.385 20 0 HEADLO COc1cccc(OC)c1OC[C@@H](O)C[N@H+]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000741800065 1076640959 /nfs/dbraw/zinc/64/09/59/1076640959.db2.gz VPDZPTGILAKFPQ-HOTGVXAUSA-N 1 2 410.511 2.385 20 0 HEADLO Cc1ccc2c(c1)OCCN2CC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000741803038 1076642504 /nfs/dbraw/zinc/64/25/04/1076642504.db2.gz CYEKZGUIPNDVJX-UHFFFAOYSA-N 1 2 407.514 2.473 20 0 HEADLO CN(C)c1ccc([NH+]2CCC(NC(=O)[C@@H]3CC(=O)N(C)[C@@H]3c3cccnc3)CC2)cc1 ZINC000741982005 1076702702 /nfs/dbraw/zinc/70/27/02/1076702702.db2.gz IRDBMGMGHNBMDG-FYYLOGMGSA-N 1 2 421.545 2.452 20 0 HEADLO Cc1cc(C(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)ccc1-n1cnnn1 ZINC000741983596 1076703505 /nfs/dbraw/zinc/70/35/05/1076703505.db2.gz XFGIGSUDBSEYOP-UHFFFAOYSA-N 1 2 405.506 2.436 20 0 HEADLO CNS(=O)(=O)c1ccc(C(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)cc1 ZINC000742108839 1076744628 /nfs/dbraw/zinc/74/46/28/1076744628.db2.gz FFMKSXWLQFQXRD-UHFFFAOYSA-N 1 2 416.547 2.060 20 0 HEADLO CCC1(O)CC[NH+](CN2C(=O)N[C@](C)(c3ccccc3Br)C2=O)CC1 ZINC000742174877 1076764456 /nfs/dbraw/zinc/76/44/56/1076764456.db2.gz DECWCXATKJOFTN-QGZVFWFLSA-N 1 2 410.312 2.411 20 0 HEADLO COC(=O)[C@H](C)C[N@@H+](Cc1ccccc1)CN1C(=O)C(=O)N(C2CCCCC2)C1=O ZINC000742150800 1076766459 /nfs/dbraw/zinc/76/64/59/1076766459.db2.gz ZLMGTXDBVLIQDE-MRXNPFEDSA-N 1 2 415.490 2.379 20 0 HEADLO COC(=O)[C@H](C)C[N@H+](Cc1ccccc1)CN1C(=O)C(=O)N(C2CCCCC2)C1=O ZINC000742150800 1076766469 /nfs/dbraw/zinc/76/64/69/1076766469.db2.gz ZLMGTXDBVLIQDE-MRXNPFEDSA-N 1 2 415.490 2.379 20 0 HEADLO C[C@]1(c2ccc3ccccc3c2)NC(=O)N(C[N@@H+]2CC[C@@H](CN3CCOCC3)C2)C1=O ZINC000742162627 1076773417 /nfs/dbraw/zinc/77/34/17/1076773417.db2.gz XBMUISBULGJNJI-MHECFPHRSA-N 1 2 422.529 2.218 20 0 HEADLO C[C@]1(c2ccc3ccccc3c2)NC(=O)N(C[N@H+]2CC[C@@H](CN3CCOCC3)C2)C1=O ZINC000742162627 1076773423 /nfs/dbraw/zinc/77/34/23/1076773423.db2.gz XBMUISBULGJNJI-MHECFPHRSA-N 1 2 422.529 2.218 20 0 HEADLO CC(C)CN1C(=O)C(=O)N(CN2CC[NH+]([C@@H](C)c3ccc(Cl)cc3)CC2)C1=O ZINC000742177490 1076793500 /nfs/dbraw/zinc/79/35/00/1076793500.db2.gz VFZFYSXTKVXDTB-HNNXBMFYSA-N 1 2 406.914 2.423 20 0 HEADLO C[C@@H]1CN(C(=O)C[NH2+][C@@H](c2ccc(F)cc2)c2cccc(S(C)(=O)=O)c2)CCO1 ZINC000742262860 1076810697 /nfs/dbraw/zinc/81/06/97/1076810697.db2.gz DZEJDZWRLOPNIF-VFNWGFHPSA-N 1 2 420.506 2.156 20 0 HEADLO O=C1C[C@@H]([N@@H+]2CCc3c(cccc3N3CCOC3=O)C2)C(=O)N1c1cccc(O)c1 ZINC000742264683 1076811142 /nfs/dbraw/zinc/81/11/42/1076811142.db2.gz HMZRBJXTTDFSCN-LJQANCHMSA-N 1 2 407.426 2.039 20 0 HEADLO O=C1C[C@@H]([N@H+]2CCc3c(cccc3N3CCOC3=O)C2)C(=O)N1c1cccc(O)c1 ZINC000742264683 1076811144 /nfs/dbraw/zinc/81/11/44/1076811144.db2.gz HMZRBJXTTDFSCN-LJQANCHMSA-N 1 2 407.426 2.039 20 0 HEADLO O=S(=O)(/C=C/c1ccc(Br)cc1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000742316230 1076828529 /nfs/dbraw/zinc/82/85/29/1076828529.db2.gz FWUMKKZPJBOGAY-JCSUNJAGSA-N 1 2 415.353 2.404 20 0 HEADLO Cc1ccccc1C[C@@H](C)NC(=O)CON=C(N)c1cccc(C[NH+]2CCOCC2)c1 ZINC000742356837 1076829936 /nfs/dbraw/zinc/82/99/36/1076829936.db2.gz ITGNVVFOOGAPDM-LJQANCHMSA-N 1 2 424.545 2.421 20 0 HEADLO NC(=NOCC(=O)N(C1CC1)C1CCCC1)c1cccc(C[NH+]2CCOCC2)c1 ZINC000742357350 1076830284 /nfs/dbraw/zinc/83/02/84/1076830284.db2.gz VCXKJLFPPKLAEO-UHFFFAOYSA-N 1 2 400.523 2.299 20 0 HEADLO N=C1NC(=O)[C@@H](CC(=O)NC2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)S1 ZINC000742563067 1076849383 /nfs/dbraw/zinc/84/93/83/1076849383.db2.gz UJZASOLZYDDKIP-CQSZACIVSA-N 1 2 414.453 2.342 20 0 HEADLO N=C1NC(=O)C(CC(=O)NC2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)S1 ZINC000742563067 1076849386 /nfs/dbraw/zinc/84/93/86/1076849386.db2.gz UJZASOLZYDDKIP-CQSZACIVSA-N 1 2 414.453 2.342 20 0 HEADLO Cc1cc2n(n1)c1ccccc1c(=O)n2CN1CC[NH+](Cc2c(C)noc2C)CC1 ZINC000742548331 1076850819 /nfs/dbraw/zinc/85/08/19/1076850819.db2.gz YAKNIKAHRZBHHM-UHFFFAOYSA-N 1 2 406.490 2.338 20 0 HEADLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)c1ccc(NC(=O)OCC(F)(F)F)cc1 ZINC000742646011 1076857413 /nfs/dbraw/zinc/85/74/13/1076857413.db2.gz CNUQIFUCGPHADU-CYBMUJFWSA-N 1 2 402.417 2.163 20 0 HEADLO CN(C)c1nc(N)nc(C[NH+]2CCC([C@H]3CCCN3C(=O)OC(C)(C)C)CC2)n1 ZINC000742625196 1076858725 /nfs/dbraw/zinc/85/87/25/1076858725.db2.gz NRKKZLOIWDBPTB-OAHLLOKOSA-N 1 2 405.547 2.131 20 0 HEADLO CCc1cccc(NC(=S)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)c1 ZINC000737465168 1076862239 /nfs/dbraw/zinc/86/22/39/1076862239.db2.gz IQGLXSPNDLMUPS-UHFFFAOYSA-N 1 2 412.563 2.395 20 0 HEADLO CCc1cccc(NC(=S)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)c1 ZINC000737465168 1076862240 /nfs/dbraw/zinc/86/22/40/1076862240.db2.gz IQGLXSPNDLMUPS-UHFFFAOYSA-N 1 2 412.563 2.395 20 0 HEADLO C[C@H](NC(=S)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1)c1cccs1 ZINC000737465773 1076872291 /nfs/dbraw/zinc/87/22/91/1076872291.db2.gz VVNQTWQETJKDEP-HNNXBMFYSA-N 1 2 418.592 2.132 20 0 HEADLO C[C@H](NC(=S)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1)c1cccs1 ZINC000737465773 1076872294 /nfs/dbraw/zinc/87/22/94/1076872294.db2.gz VVNQTWQETJKDEP-HNNXBMFYSA-N 1 2 418.592 2.132 20 0 HEADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)CNC(=O)OCC(F)(F)F ZINC000742942996 1076896782 /nfs/dbraw/zinc/89/67/82/1076896782.db2.gz VBJIUGQHWQOISB-UHFFFAOYSA-N 1 2 402.417 2.435 20 0 HEADLO COCC[S@](=O)Cc1cccc(NC(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)c1 ZINC000743159308 1076978952 /nfs/dbraw/zinc/97/89/52/1076978952.db2.gz XJBOGWVRHSCJEG-OLILMLBXSA-N 1 2 423.579 2.300 20 0 HEADLO Cc1c(NC(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)cccc1N1CCOC1=O ZINC000743244582 1077013177 /nfs/dbraw/zinc/01/31/77/1077013177.db2.gz ACAQIIQGTWESAD-UHFFFAOYSA-N 1 2 414.466 2.124 20 0 HEADLO C[N@H+](C[C@@H]1CCCO1)CN1C(=O)N[C@@]2(CCCC[C@H]2CNC(=O)OC(C)(C)C)C1=O ZINC000743365129 1077033248 /nfs/dbraw/zinc/03/32/48/1077033248.db2.gz QQEWVSACHFFIPG-CKJXQJPGSA-N 1 2 424.542 2.060 20 0 HEADLO C[N@@H+](C[C@@H]1CCCO1)CN1C(=O)N[C@@]2(CCCC[C@H]2CNC(=O)OC(C)(C)C)C1=O ZINC000743365129 1077033252 /nfs/dbraw/zinc/03/32/52/1077033252.db2.gz QQEWVSACHFFIPG-CKJXQJPGSA-N 1 2 424.542 2.060 20 0 HEADLO C[C@@H]1C[NH+](CN2C(=O)N[C@](C)(CCc3ccc4c(c3)OCO4)C2=O)C[C@@H](C)S1 ZINC000743374983 1077035132 /nfs/dbraw/zinc/03/51/32/1077035132.db2.gz DWJOHVWYVRHCFP-ARGWCVDVSA-N 1 2 405.520 2.442 20 0 HEADLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)C(=O)Nc1ccc2c(c1)NC(=O)CS2 ZINC000743402331 1077043543 /nfs/dbraw/zinc/04/35/43/1077043543.db2.gz XHXXDENSGKEVOS-UHFFFAOYSA-N 1 2 407.455 2.171 20 0 HEADLO CCn1c(-c2ccncc2)nn(C[N@H+](CCC(=O)OC)C2CCOCC2)c1=S ZINC000743406779 1077047871 /nfs/dbraw/zinc/04/78/71/1077047871.db2.gz RZOAQDJZZYXIGC-UHFFFAOYSA-N 1 2 405.524 2.498 20 0 HEADLO CCn1c(-c2ccncc2)nn(C[N@@H+](CCC(=O)OC)C2CCOCC2)c1=S ZINC000743406779 1077047875 /nfs/dbraw/zinc/04/78/75/1077047875.db2.gz RZOAQDJZZYXIGC-UHFFFAOYSA-N 1 2 405.524 2.498 20 0 HEADLO CCC(CC)(CNC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1)SC ZINC000743698126 1077092343 /nfs/dbraw/zinc/09/23/43/1077092343.db2.gz VEGHDIBYLCEFED-UHFFFAOYSA-N 1 2 422.599 2.067 20 0 HEADLO CCC(CC)(CNC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1)SC ZINC000743698126 1077092349 /nfs/dbraw/zinc/09/23/49/1077092349.db2.gz VEGHDIBYLCEFED-UHFFFAOYSA-N 1 2 422.599 2.067 20 0 HEADLO CN(C[C@@H]1CCCN1C(=O)C[NH+]1CCN(c2ccccn2)CC1)C(=O)OC(C)(C)C ZINC000743772642 1077108601 /nfs/dbraw/zinc/10/86/01/1077108601.db2.gz PQIGGTCADOYSFN-SFHVURJKSA-N 1 2 417.554 2.062 20 0 HEADLO CN(C[C@H]1CCC[N@@H+]1C[C@@H](O)c1ccc(S(C)(=O)=O)cc1)C(=O)OC(C)(C)C ZINC000743865518 1077150147 /nfs/dbraw/zinc/15/01/47/1077150147.db2.gz CLFMKKGPWXXYFG-SJLPKXTDSA-N 1 2 412.552 2.455 20 0 HEADLO CN(C[C@H]1CCC[N@H+]1C[C@@H](O)c1ccc(S(C)(=O)=O)cc1)C(=O)OC(C)(C)C ZINC000743865518 1077150159 /nfs/dbraw/zinc/15/01/59/1077150159.db2.gz CLFMKKGPWXXYFG-SJLPKXTDSA-N 1 2 412.552 2.455 20 0 HEADLO O=C(C[C@H]1OC(=O)c2ccccc21)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000743936601 1077225446 /nfs/dbraw/zinc/22/54/46/1077225446.db2.gz CYYHDUGGKMWDRP-OAQYLSRUSA-N 1 2 410.470 2.316 20 0 HEADLO COc1ccc(C[N@H+](C)CC(=O)NCC(=O)N[C@@H](C)c2ccc(F)cc2)cc1F ZINC000744384538 1077376828 /nfs/dbraw/zinc/37/68/28/1077376828.db2.gz FPGVEWLVYFUQDT-AWEZNQCLSA-N 1 2 405.445 2.399 20 0 HEADLO COc1ccc(C[N@@H+](C)CC(=O)NCC(=O)N[C@@H](C)c2ccc(F)cc2)cc1F ZINC000744384538 1077376835 /nfs/dbraw/zinc/37/68/35/1077376835.db2.gz FPGVEWLVYFUQDT-AWEZNQCLSA-N 1 2 405.445 2.399 20 0 HEADLO O=C(C[N@@H+]1CCc2c(cccc2N2CCOC2=O)C1)NC[C@@H]1Cc2ccccc2O1 ZINC000744414387 1077378241 /nfs/dbraw/zinc/37/82/41/1077378241.db2.gz OKZCDJYAXQMWJD-SFHVURJKSA-N 1 2 407.470 2.121 20 0 HEADLO O=C(C[N@H+]1CCc2c(cccc2N2CCOC2=O)C1)NC[C@@H]1Cc2ccccc2O1 ZINC000744414387 1077378249 /nfs/dbraw/zinc/37/82/49/1077378249.db2.gz OKZCDJYAXQMWJD-SFHVURJKSA-N 1 2 407.470 2.121 20 0 HEADLO CCCCn1c2nc(C[N@H+](CC)C[C@@H](O)c3ccc(C)cc3)n(C)c2c(=O)[nH]c1=O ZINC000744419795 1077379124 /nfs/dbraw/zinc/37/91/24/1077379124.db2.gz BHVRBIBMSWTULB-QGZVFWFLSA-N 1 2 413.522 2.500 20 0 HEADLO CCCCn1c2nc(C[N@@H+](CC)C[C@@H](O)c3ccc(C)cc3)n(C)c2c(=O)[nH]c1=O ZINC000744419795 1077379132 /nfs/dbraw/zinc/37/91/32/1077379132.db2.gz BHVRBIBMSWTULB-QGZVFWFLSA-N 1 2 413.522 2.500 20 0 HEADLO CC(C)[C@H]1C[N@H+](CC(=O)Nc2cccc(S(=O)(=O)NC3=NCCC3)c2)CCS1 ZINC000744422797 1077386092 /nfs/dbraw/zinc/38/60/92/1077386092.db2.gz UMHOQKWQEBAFHZ-QGZVFWFLSA-N 1 2 424.592 2.169 20 0 HEADLO CC(C)[C@H]1C[N@@H+](CC(=O)Nc2cccc(S(=O)(=O)NC3=NCCC3)c2)CCS1 ZINC000744422797 1077386098 /nfs/dbraw/zinc/38/60/98/1077386098.db2.gz UMHOQKWQEBAFHZ-QGZVFWFLSA-N 1 2 424.592 2.169 20 0 HEADLO CC[C@@](C)([NH2+]CC(=O)NN1C(=O)NC2(CCC(C)CC2)C1=O)c1nc(C)cs1 ZINC000744424777 1077388196 /nfs/dbraw/zinc/38/81/96/1077388196.db2.gz VDONFCGIZLWRFD-NCEKKXQESA-N 1 2 407.540 2.198 20 0 HEADLO CCN(CC1CC[NH+](CN2C(=O)NC3(CCOCC3)C2=O)CC1)C(=O)OC(C)(C)C ZINC000744439265 1077394488 /nfs/dbraw/zinc/39/44/88/1077394488.db2.gz IMKXWWHZEQTXAO-UHFFFAOYSA-N 1 2 424.542 2.014 20 0 HEADLO CCn1c(=O)c2ccc(C(=O)N3CCC[N@H+](C[C@H]4CCCO4)CC3)cc2[nH]c1=S ZINC000745399639 1077818163 /nfs/dbraw/zinc/81/81/63/1077818163.db2.gz RICCKSNBURBICS-MRXNPFEDSA-N 1 2 416.547 2.032 20 0 HEADLO CCn1c(=O)c2ccc(C(=O)N3CCC[N@@H+](C[C@H]4CCCO4)CC3)cc2[nH]c1=S ZINC000745399639 1077818167 /nfs/dbraw/zinc/81/81/67/1077818167.db2.gz RICCKSNBURBICS-MRXNPFEDSA-N 1 2 416.547 2.032 20 0 HEADLO O=C(OCCn1cc[nH+]c1)C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 ZINC000771887335 1079564338 /nfs/dbraw/zinc/56/43/38/1079564338.db2.gz KOAZXWIVXXNHBN-UHFFFAOYSA-N 1 2 417.531 2.406 20 0 HEADLO COc1cc(C)c([C@@H](C)NC(=O)COC(=O)C[N@H+](C)[C@H]2CCSC2)cc1OC ZINC000767110102 1079663962 /nfs/dbraw/zinc/66/39/62/1079663962.db2.gz HAKZAIOVKROGIK-CABCVRRESA-N 1 2 410.536 2.170 20 0 HEADLO COc1cc(C)c([C@@H](C)NC(=O)COC(=O)C[N@@H+](C)[C@H]2CCSC2)cc1OC ZINC000767110102 1079663983 /nfs/dbraw/zinc/66/39/83/1079663983.db2.gz HAKZAIOVKROGIK-CABCVRRESA-N 1 2 410.536 2.170 20 0 HEADLO Cc1nc(-c2ccc(C)cc2NC(=O)COC(=O)C[N@@H+](C)[C@H]2CCSC2)n[nH]1 ZINC000772049820 1079669674 /nfs/dbraw/zinc/66/96/74/1079669674.db2.gz SRBGJBSADQWHRY-AWEZNQCLSA-N 1 2 403.508 2.008 20 0 HEADLO Cc1nc(-c2ccc(C)cc2NC(=O)COC(=O)C[N@H+](C)[C@H]2CCSC2)n[nH]1 ZINC000772049820 1079669680 /nfs/dbraw/zinc/66/96/80/1079669680.db2.gz SRBGJBSADQWHRY-AWEZNQCLSA-N 1 2 403.508 2.008 20 0 HEADLO C[C@@H](OC(=O)C[N@H+](C)[C@H]1CCSC1)C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000772057589 1079676516 /nfs/dbraw/zinc/67/65/16/1079676516.db2.gz CXKRRBBJGHOSMA-CDYLQHMOSA-N 1 2 423.579 2.150 20 0 HEADLO C[C@@H](OC(=O)C[N@@H+](C)[C@H]1CCSC1)C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000772057589 1079676523 /nfs/dbraw/zinc/67/65/23/1079676523.db2.gz CXKRRBBJGHOSMA-CDYLQHMOSA-N 1 2 423.579 2.150 20 0 HEADLO COc1ccc(CN(C)C(=O)[C@H](C)OC(=O)C[N@H+](C)[C@H]2CCSC2)cc1OC ZINC000767115006 1079682870 /nfs/dbraw/zinc/68/28/70/1079682870.db2.gz GMLSPVLIURLGQV-HOCLYGCPSA-N 1 2 410.536 2.031 20 0 HEADLO COc1ccc(CN(C)C(=O)[C@H](C)OC(=O)C[N@@H+](C)[C@H]2CCSC2)cc1OC ZINC000767115006 1079682913 /nfs/dbraw/zinc/68/29/13/1079682913.db2.gz GMLSPVLIURLGQV-HOCLYGCPSA-N 1 2 410.536 2.031 20 0 HEADLO CCOC(=O)c1cc(C)sc1NC(=O)COC(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000767118985 1079687655 /nfs/dbraw/zinc/68/76/55/1079687655.db2.gz XPNOBFSMLQILNL-GFCCVEGCSA-N 1 2 400.522 2.152 20 0 HEADLO CCOC(=O)c1cc(C)sc1NC(=O)COC(=O)C[N@@H+](C)[C@@H]1CCSC1 ZINC000767118985 1079687656 /nfs/dbraw/zinc/68/76/56/1079687656.db2.gz XPNOBFSMLQILNL-GFCCVEGCSA-N 1 2 400.522 2.152 20 0 HEADLO CN(C)c1ccc([NH+]2CCC(NC(=O)CCCNC(=O)c3cccnc3)CC2)cc1 ZINC000772102053 1079702610 /nfs/dbraw/zinc/70/26/10/1079702610.db2.gz VUGVMSGJWVUQLM-UHFFFAOYSA-N 1 2 409.534 2.443 20 0 HEADLO CCOC1CC(CNC(=O)/C=C/c2ccc(Br)o2)([NH+]2CCOCC2)C1 ZINC000767167464 1079703513 /nfs/dbraw/zinc/70/35/13/1079703513.db2.gz YVUXBVDQVXLRSK-GQCTYLIASA-N 1 2 413.312 2.441 20 0 HEADLO Cc1cccn2cc(CCNC(=O)c3ccc(F)c(S(=O)(=O)NC(C)C)c3)[nH+]c12 ZINC000746539631 1079878057 /nfs/dbraw/zinc/87/80/57/1079878057.db2.gz ASGWNJFZMRLYRP-UHFFFAOYSA-N 1 2 418.494 2.441 20 0 HEADLO O=C(CCc1nc2sc3c(c2c(=O)[nH]1)CCC3)OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000767455435 1079882804 /nfs/dbraw/zinc/88/28/04/1079882804.db2.gz UWPCIBNNWOEBPH-BETUJISGSA-N 1 2 403.504 2.225 20 0 HEADLO O=C(CCc1nc2sc3c(c2c(=O)[nH]1)CCC3)OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000767455435 1079882807 /nfs/dbraw/zinc/88/28/07/1079882807.db2.gz UWPCIBNNWOEBPH-BETUJISGSA-N 1 2 403.504 2.225 20 0 HEADLO CC(C)CC(=O)N1Cc2ccccc2C[C@H]1C(=O)OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000767530736 1079923207 /nfs/dbraw/zinc/92/32/07/1079923207.db2.gz CDCPEFXKXGBRSH-HBMCJLEFSA-N 1 2 400.519 2.392 20 0 HEADLO CC(C)CC(=O)N1Cc2ccccc2C[C@H]1C(=O)OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000767530736 1079923214 /nfs/dbraw/zinc/92/32/14/1079923214.db2.gz CDCPEFXKXGBRSH-HBMCJLEFSA-N 1 2 400.519 2.392 20 0 HEADLO Cc1cccc2nc(COC(=O)CCC(=O)N3CCN(c4cccc[nH+]4)CC3)cn21 ZINC000767540068 1079942915 /nfs/dbraw/zinc/94/29/15/1079942915.db2.gz UNYILPWWNBJQTB-UHFFFAOYSA-N 1 2 407.474 2.210 20 0 HEADLO CCc1ccc(NC(=O)COC(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000767539506 1079943712 /nfs/dbraw/zinc/94/37/12/1079943712.db2.gz RSYVHNOYDNYLDK-UHFFFAOYSA-N 1 2 424.501 2.255 20 0 HEADLO COc1ccc([C@H]2[C@@H](C(=O)OCC[N@H+]3C[C@H]4CC[C@@H](C3)O4)CCC(=O)N2C)cc1 ZINC000767547923 1079955537 /nfs/dbraw/zinc/95/55/37/1079955537.db2.gz XVZULUJRKRVJFZ-JTJHWIPRSA-N 1 2 402.491 2.011 20 0 HEADLO COc1ccc([C@H]2[C@@H](C(=O)OCC[N@@H+]3C[C@H]4CC[C@@H](C3)O4)CCC(=O)N2C)cc1 ZINC000767547923 1079955551 /nfs/dbraw/zinc/95/55/51/1079955551.db2.gz XVZULUJRKRVJFZ-JTJHWIPRSA-N 1 2 402.491 2.011 20 0 HEADLO O=C(C[C@H](O)c1ccc(Cl)cc1)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000772626904 1079986750 /nfs/dbraw/zinc/98/67/50/1079986750.db2.gz AZWFJXUEDWIXQE-SFHVURJKSA-N 1 2 416.909 2.014 20 0 HEADLO COc1cc(C)c(C[NH+]2CCN(C(=O)COC(=O)/C=C\SC)CC2)cc1OC ZINC000767650166 1080022287 /nfs/dbraw/zinc/02/22/87/1080022287.db2.gz IFMOEYXACWIROX-YHYXMXQVSA-N 1 2 408.520 2.076 20 0 HEADLO COc1cc(C)c(C[NH+]2CCN(C(=O)COC(=O)/C=C/SC)CC2)cc1OC ZINC000767650165 1080022366 /nfs/dbraw/zinc/02/23/66/1080022366.db2.gz IFMOEYXACWIROX-BJMVGYQFSA-N 1 2 408.520 2.076 20 0 HEADLO CN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)c1 ZINC000767664127 1080026218 /nfs/dbraw/zinc/02/62/18/1080026218.db2.gz PQVPFJHYYLXGQH-AWEZNQCLSA-N 1 2 410.927 2.344 20 0 HEADLO CC(C)NC(=O)c1ccc(C(=O)N2CC[N@H+](C)C[C@H]2CNC(=O)OC(C)(C)C)cc1 ZINC000767692247 1080042147 /nfs/dbraw/zinc/04/21/47/1080042147.db2.gz UAQKFUWSFPOCND-GOSISDBHSA-N 1 2 418.538 2.106 20 0 HEADLO CC(C)NC(=O)c1ccc(C(=O)N2CC[N@@H+](C)C[C@H]2CNC(=O)OC(C)(C)C)cc1 ZINC000767692247 1080042158 /nfs/dbraw/zinc/04/21/58/1080042158.db2.gz UAQKFUWSFPOCND-GOSISDBHSA-N 1 2 418.538 2.106 20 0 HEADLO C[C@@H](C(=O)NCC1CCCCC1)[NH+]1CCN(c2ccc(NS(C)(=O)=O)cc2)CC1 ZINC000767738565 1080059233 /nfs/dbraw/zinc/05/92/33/1080059233.db2.gz WCKSARBODNBVDT-KRWDZBQOSA-N 1 2 422.595 2.265 20 0 HEADLO C[C@H](C(=O)NCC1CCCCC1)[NH+]1CCN(c2ccc(NS(C)(=O)=O)cc2)CC1 ZINC000767738568 1080059294 /nfs/dbraw/zinc/05/92/94/1080059294.db2.gz WCKSARBODNBVDT-QGZVFWFLSA-N 1 2 422.595 2.265 20 0 HEADLO CS(=O)(=O)Nc1ccc(N2CC[NH+](Cc3cc(F)cc4c3OCOC4)CC2)cc1 ZINC000767744436 1080061708 /nfs/dbraw/zinc/06/17/08/1080061708.db2.gz LAXAEZQNPSVVDX-UHFFFAOYSA-N 1 2 421.494 2.386 20 0 HEADLO CS(=O)(=O)Nc1ccc(N2CC[NH+](CC(=O)NCCC3CCCCC3)CC2)cc1 ZINC000767747975 1080066223 /nfs/dbraw/zinc/06/62/23/1080066223.db2.gz RODNNQDQNJJVDD-UHFFFAOYSA-N 1 2 422.595 2.267 20 0 HEADLO C[C@@H]1CCCC[C@@H]1N(C)C(=O)C[NH+]1CCN(c2ccc(NS(C)(=O)=O)cc2)CC1 ZINC000767749158 1080066727 /nfs/dbraw/zinc/06/67/27/1080066727.db2.gz IDDXEOMBIWLIPR-XLIONFOSSA-N 1 2 422.595 2.217 20 0 HEADLO COc1cc(C(=O)N2CC[N@H+](C)C[C@H]2CNC(=O)OC(C)(C)C)cc(Cl)c1O ZINC000785601101 1080070665 /nfs/dbraw/zinc/07/06/65/1080070665.db2.gz KPUQABIWOHWZHP-CYBMUJFWSA-N 1 2 413.902 2.335 20 0 HEADLO COc1cc(C(=O)N2CC[N@@H+](C)C[C@H]2CNC(=O)OC(C)(C)C)cc(Cl)c1O ZINC000785601101 1080070676 /nfs/dbraw/zinc/07/06/76/1080070676.db2.gz KPUQABIWOHWZHP-CYBMUJFWSA-N 1 2 413.902 2.335 20 0 HEADLO CN(CCCn1cc[nH+]c1)Cn1nc(N2CCOCC2)n(-c2ccccc2)c1=S ZINC000767756892 1080072752 /nfs/dbraw/zinc/07/27/52/1080072752.db2.gz YATSYJNSULFCJT-UHFFFAOYSA-N 1 2 413.551 2.416 20 0 HEADLO CCN(Cc1c[nH]c2ccccc12)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000785569832 1080081790 /nfs/dbraw/zinc/08/17/90/1080081790.db2.gz KWMXOOHTZNNVQT-UHFFFAOYSA-N 1 2 406.552 2.208 20 0 HEADLO C[C@]1(c2ccc3c(c2)CCC3)NC(=O)N(C[N@@H+]2CCS[C@@H]3COCC[C@@H]32)C1=O ZINC000767782553 1080090350 /nfs/dbraw/zinc/09/03/50/1080090350.db2.gz POVVHUJYOSZTPV-WAOWUJCRSA-N 1 2 401.532 2.106 20 0 HEADLO C[C@]1(c2ccc3c(c2)CCC3)NC(=O)N(C[N@H+]2CCS[C@@H]3COCC[C@@H]32)C1=O ZINC000767782553 1080090360 /nfs/dbraw/zinc/09/03/60/1080090360.db2.gz POVVHUJYOSZTPV-WAOWUJCRSA-N 1 2 401.532 2.106 20 0 HEADLO C[C@]1(c2ccc(F)cc2Cl)NC(=O)N(C[N@@H+]2CCS[C@@H]3COCC[C@H]32)C1=O ZINC000767787865 1080094478 /nfs/dbraw/zinc/09/44/78/1080094478.db2.gz WCDPENBEDAULHR-IIDMSEBBSA-N 1 2 413.902 2.410 20 0 HEADLO C[C@]1(c2ccc(F)cc2Cl)NC(=O)N(C[N@H+]2CCS[C@@H]3COCC[C@H]32)C1=O ZINC000767787865 1080094488 /nfs/dbraw/zinc/09/44/88/1080094488.db2.gz WCDPENBEDAULHR-IIDMSEBBSA-N 1 2 413.902 2.410 20 0 HEADLO CN(CCCn1cc[nH+]c1)S(=O)(=O)[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000767848742 1080169546 /nfs/dbraw/zinc/16/95/46/1080169546.db2.gz HQHRORFKIJRABM-LJQANCHMSA-N 1 2 420.535 2.336 20 0 HEADLO C[C@H](Oc1cccc2ccccc21)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000767898175 1080220557 /nfs/dbraw/zinc/22/05/57/1080220557.db2.gz MPHOCONPMRAPIE-INIZCTEOSA-N 1 2 404.532 2.232 20 0 HEADLO C[N@@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)c3ccc(O)c(F)c3)c2)CC1 ZINC000767951635 1080240107 /nfs/dbraw/zinc/24/01/07/1080240107.db2.gz ARTOHJDESVHDND-UHFFFAOYSA-N 1 2 407.467 2.110 20 0 HEADLO C[N@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)c3ccc(O)c(F)c3)c2)CC1 ZINC000767951635 1080240116 /nfs/dbraw/zinc/24/01/16/1080240116.db2.gz ARTOHJDESVHDND-UHFFFAOYSA-N 1 2 407.467 2.110 20 0 HEADLO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)c1ccccc1S(=O)(=O)C(F)(F)F ZINC000785824248 1080260248 /nfs/dbraw/zinc/26/02/48/1080260248.db2.gz JHTAYYVQYYRHDU-CYBMUJFWSA-N 1 2 420.453 2.305 20 0 HEADLO C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)c1ccccc1S(=O)(=O)C(F)(F)F ZINC000785824248 1080260269 /nfs/dbraw/zinc/26/02/69/1080260269.db2.gz JHTAYYVQYYRHDU-CYBMUJFWSA-N 1 2 420.453 2.305 20 0 HEADLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)C(=O)NCc2ccc(OC(F)(F)F)cc2)C1 ZINC000785803429 1080270769 /nfs/dbraw/zinc/27/07/69/1080270769.db2.gz JAWSNMLNCNNETB-AWEZNQCLSA-N 1 2 410.396 2.341 20 0 HEADLO CC(=O)Nc1ccc2c(C[N@@H+]3CCN4C(=O)N(CC(C)C)C[C@@H]4C3)cc(=O)oc2c1 ZINC000785871494 1080291226 /nfs/dbraw/zinc/29/12/26/1080291226.db2.gz SLGWZUCTKSTHKD-SFHVURJKSA-N 1 2 412.490 2.329 20 0 HEADLO CC(=O)Nc1ccc2c(C[N@H+]3CCN4C(=O)N(CC(C)C)C[C@@H]4C3)cc(=O)oc2c1 ZINC000785871494 1080291235 /nfs/dbraw/zinc/29/12/35/1080291235.db2.gz SLGWZUCTKSTHKD-SFHVURJKSA-N 1 2 412.490 2.329 20 0 HEADLO COc1cccc(C[NH+]2CCC(NC(=O)Cc3ccccc3S(C)(=O)=O)CC2)c1 ZINC000785899812 1080302495 /nfs/dbraw/zinc/30/24/95/1080302495.db2.gz OKDHQIPIRJKKOI-UHFFFAOYSA-N 1 2 416.543 2.422 20 0 HEADLO COCCN(CCNC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1)C(=O)OC(C)(C)C ZINC000768115686 1080349082 /nfs/dbraw/zinc/34/90/82/1080349082.db2.gz SNVVSGNPTVGPSN-IAGOWNOFSA-N 1 2 409.531 2.359 20 0 HEADLO CN(C)C(=O)COc1ccc(C(F)(F)C(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)cc1 ZINC000768128875 1080362579 /nfs/dbraw/zinc/36/25/79/1080362579.db2.gz BHPQUDBIQRKRFG-OAHLLOKOSA-N 1 2 420.460 2.385 20 0 HEADLO COCCOc1ccc(-n2nc(C)c(C(=O)N3CCC[C@@H](c4[nH+]ccn4C)C3)n2)cc1 ZINC000768129197 1080363889 /nfs/dbraw/zinc/36/38/89/1080363889.db2.gz QYZCXSURJHHDBO-QGZVFWFLSA-N 1 2 424.505 2.354 20 0 HEADLO CC(=O)N1CCC([NH+]2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)CC1 ZINC000768156079 1080375789 /nfs/dbraw/zinc/37/57/89/1080375789.db2.gz JQWWCPRPPLBZTP-UHFFFAOYSA-N 1 2 419.469 2.023 20 0 HEADLO C[C@H]1C[N@H+](CCNC(=O)N(CCNC(=O)OC(C)(C)C)Cc2ccccc2)CCO1 ZINC000768323692 1080485421 /nfs/dbraw/zinc/48/54/21/1080485421.db2.gz OKNBDFWPSIJRSE-SFHVURJKSA-N 1 2 420.554 2.444 20 0 HEADLO C[C@H]1C[N@@H+](CCNC(=O)N(CCNC(=O)OC(C)(C)C)Cc2ccccc2)CCO1 ZINC000768323692 1080485428 /nfs/dbraw/zinc/48/54/28/1080485428.db2.gz OKNBDFWPSIJRSE-SFHVURJKSA-N 1 2 420.554 2.444 20 0 HEADLO Cc1nc(N2CCN(C(=O)c3ccnc(CNC(=O)OC(C)(C)C)c3)CC2)cc[nH+]1 ZINC000768446785 1080565527 /nfs/dbraw/zinc/56/55/27/1080565527.db2.gz ACGKCZFBSAWGLZ-UHFFFAOYSA-N 1 2 412.494 2.167 20 0 HEADLO CCc1ccc([C@]2(CC)NC(=O)N(C[NH+]3CCC(N(C)C(C)=O)CC3)C2=O)cc1 ZINC000768483098 1080576821 /nfs/dbraw/zinc/57/68/21/1080576821.db2.gz HKONLYRMAOSFFT-QFIPXVFZSA-N 1 2 400.523 2.306 20 0 HEADLO COc1ccc(Cn2nc(C)c(CN3CC[NH+](CC[S@@](C)=O)CC3)c2C)cc1 ZINC000768509698 1080598469 /nfs/dbraw/zinc/59/84/69/1080598469.db2.gz QOADJAPGMDVZKX-MUUNZHRXSA-N 1 2 404.580 2.053 20 0 HEADLO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCCN1Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000768542847 1080619264 /nfs/dbraw/zinc/61/92/64/1080619264.db2.gz HVWYYLAALNUXON-MJGOQNOKSA-N 1 2 418.586 2.496 20 0 HEADLO CCN(C[C@H](O)c1ccc(C)cc1)C(=O)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000786498811 1080658279 /nfs/dbraw/zinc/65/82/79/1080658279.db2.gz BLQRGQHPOXLWGM-FQEVSTJZSA-N 1 2 410.518 2.189 20 0 HEADLO O=C(NCc1cccc(OCC[NH+]2CCOCC2)c1)c1ccc(Br)nc1 ZINC000746590833 1080694280 /nfs/dbraw/zinc/69/42/80/1080694280.db2.gz AMGHHPRYQAWSTB-UHFFFAOYSA-N 1 2 420.307 2.485 20 0 HEADLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)CN1C(=O)c2ccccc2N2C(=O)CC[C@]21C ZINC000746593320 1080707424 /nfs/dbraw/zinc/70/74/24/1080707424.db2.gz FGSPZGWOOFSOGG-MBSDFSHPSA-N 1 2 423.517 2.413 20 0 HEADLO Cc1nc(NCc2cccc(C(=O)OCc3nnnn3CC3CCOCC3)c2)cc[nH+]1 ZINC000768858196 1080808207 /nfs/dbraw/zinc/80/82/07/1080808207.db2.gz ICRQDEXYTMCORE-UHFFFAOYSA-N 1 2 423.477 2.167 20 0 HEADLO O=C(C[C@@H]1C(=O)Nc2ccccc21)OCC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000746609818 1080828272 /nfs/dbraw/zinc/82/82/72/1080828272.db2.gz KCRVZJNXJSJUPC-KRWDZBQOSA-N 1 2 413.499 2.062 20 0 HEADLO COC(=O)[C@@H]1CCN(c2nc(N3CC[C@H](C(=O)OC)[C@H]3C)c(C3CC3)c[nH+]2)[C@H]1C ZINC000786811795 1080839439 /nfs/dbraw/zinc/83/94/39/1080839439.db2.gz DRHSNBXWXGTUAQ-BFJAYTPKSA-N 1 2 402.495 2.130 20 0 HEADLO O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)OCc1cccc(C(F)(F)F)c1 ZINC000787002234 1080915992 /nfs/dbraw/zinc/91/59/92/1080915992.db2.gz URWBYZYXENWASA-QGZVFWFLSA-N 1 2 414.424 2.462 20 0 HEADLO Cn1cnnc1-c1cccc(NC(=O)C[NH+]2CCC(NC(=O)OC(C)(C)C)CC2)c1 ZINC000769107684 1080936695 /nfs/dbraw/zinc/93/66/95/1080936695.db2.gz GIXZYVCLEAXWGQ-UHFFFAOYSA-N 1 2 414.510 2.410 20 0 HEADLO CN(C)C(=O)COc1ccc(C(F)(F)C(=O)OCc2cc[nH+]c(N(C)C)c2)cc1 ZINC000769138742 1080955845 /nfs/dbraw/zinc/95/58/45/1080955845.db2.gz MMVRFNMURNTQRZ-UHFFFAOYSA-N 1 2 407.417 2.450 20 0 HEADLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)[C@@H]1c2ccccc2CCN1C(=O)OC(C)(C)C ZINC000769190821 1080964183 /nfs/dbraw/zinc/96/41/83/1080964183.db2.gz ZMNKCNDMUDXXEQ-PXNSSMCTSA-N 1 2 416.566 2.273 20 0 HEADLO CN(Cc1ccc([S@](C)=O)cc1)C(=O)C[NH+]1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000769264582 1081021089 /nfs/dbraw/zinc/02/10/89/1081021089.db2.gz SNFPOYDXOVHSRP-LJAQVGFWSA-N 1 2 423.579 2.372 20 0 HEADLO CCN(CC)c1ccc(CNC(=O)C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cn1 ZINC000787189070 1081055541 /nfs/dbraw/zinc/05/55/41/1081055541.db2.gz BPUWDNAMQTUJIG-UHFFFAOYSA-N 1 2 406.490 2.046 20 0 HEADLO COc1cc(CNC(=O)C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)ccc1OC(C)C ZINC000787240122 1081065629 /nfs/dbraw/zinc/06/56/29/1081065629.db2.gz PHWHOBOFHCTXGN-GOSISDBHSA-N 1 2 413.474 2.174 20 0 HEADLO CC(C)Nc1ccc(C(=O)OCC(=O)N2CC[NH+](Cc3cccs3)CC2)cn1 ZINC000787251923 1081072073 /nfs/dbraw/zinc/07/20/73/1081072073.db2.gz IOOGHIWCFROQLW-UHFFFAOYSA-N 1 2 402.520 2.465 20 0 HEADLO C[S@@](=O)CC[NH+]1CCN(Cc2cccc3c2N(C(=O)OC(C)(C)C)CC3)CC1 ZINC000769481287 1081077530 /nfs/dbraw/zinc/07/75/30/1081077530.db2.gz UIJNNJAFPMTALS-MUUNZHRXSA-N 1 2 407.580 2.480 20 0 HEADLO C[S@@](=O)CC[NH+]1CCN(Cc2nc(-c3ccc(Br)cc3)c[nH]2)CC1 ZINC000769480778 1081078223 /nfs/dbraw/zinc/07/82/23/1081078223.db2.gz OVCYKLXYPNIWFD-XMMPIXPASA-N 1 2 411.369 2.335 20 0 HEADLO COc1cc(CNC(=O)C(=O)NCC[NH+]2Cc3ccccc3C2)ccc1OC(C)C ZINC000787234248 1081082560 /nfs/dbraw/zinc/08/25/60/1081082560.db2.gz ZEYZECVCFVDXHE-UHFFFAOYSA-N 1 2 411.502 2.231 20 0 HEADLO COc1cc(CNC(=O)C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)ccc1OC(C)C ZINC000787235361 1081082971 /nfs/dbraw/zinc/08/29/71/1081082971.db2.gz UXCIABZPMUDVPU-KRWDZBQOSA-N 1 2 400.479 2.159 20 0 HEADLO C[S@@](=O)CC[NH+]1CCN(Cc2cc(Cl)ccc2OC[C@H]2CCCO2)CC1 ZINC000769478643 1081093715 /nfs/dbraw/zinc/09/37/15/1081093715.db2.gz DZUBYOJKGUJHMD-WXTAPIANSA-N 1 2 400.972 2.394 20 0 HEADLO COCCN1CC[N@H+](C)C2(CCN(c3c(C)c(Cl)cnc3Cl)CC2)C1=O ZINC001164639188 719278943 /nfs/dbraw/zinc/27/89/43/719278943.db2.gz JUHAPFMPTPTGIM-UHFFFAOYSA-N 1 2 401.338 2.456 20 0 HEADLO COCCN1CC[N@@H+](C)C2(CCN(c3c(C)c(Cl)cnc3Cl)CC2)C1=O ZINC001164639188 719278945 /nfs/dbraw/zinc/27/89/45/719278945.db2.gz JUHAPFMPTPTGIM-UHFFFAOYSA-N 1 2 401.338 2.456 20 0 HEADLO CCNC(=O)c1ccc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)nn1 ZINC001164677092 719524999 /nfs/dbraw/zinc/52/49/99/719524999.db2.gz BQPOIBPVBNSOSO-UHFFFAOYSA-N 1 2 413.497 2.237 20 0 HEADLO CCNC(=O)c1ccc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)nn1 ZINC001164677092 719525009 /nfs/dbraw/zinc/52/50/09/719525009.db2.gz BQPOIBPVBNSOSO-UHFFFAOYSA-N 1 2 413.497 2.237 20 0 HEADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc2ccc(OC)cc2nc1C ZINC001164700497 719871628 /nfs/dbraw/zinc/87/16/28/719871628.db2.gz DRTZPXGXDLKRNM-ZHRRBRCNSA-N 1 2 414.506 2.180 20 0 HEADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc(C)nc(-c2ccco2)n1 ZINC001164707375 719872233 /nfs/dbraw/zinc/87/22/33/719872233.db2.gz RXCLPPLSTVKNMI-HRAATJIYSA-N 1 2 400.479 2.278 20 0 HEADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc(-c2ccc(C)o2)nn1 ZINC001164707957 719872794 /nfs/dbraw/zinc/87/27/94/719872794.db2.gz WTULQQMGEYAAKG-KKSFZXQISA-N 1 2 400.479 2.278 20 0 HEADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1ccc3ccc(F)cc3n1)CC2 ZINC001164708313 719923215 /nfs/dbraw/zinc/92/32/15/719923215.db2.gz IQJYCIYHZNAIGL-UHFFFAOYSA-N 1 2 408.481 2.058 20 0 HEADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1cc(Cl)cc(Cl)n1)CC2 ZINC001164704165 719930095 /nfs/dbraw/zinc/93/00/95/719930095.db2.gz OCTBMOVPAQOPGU-UHFFFAOYSA-N 1 2 409.321 2.072 20 0 HEADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3ccnc(Cl)c3F)C2)C1 ZINC001164717260 720215217 /nfs/dbraw/zinc/21/52/17/720215217.db2.gz HMEMFBVBWLXEIS-KRWDZBQOSA-N 1 2 420.863 2.084 20 0 HEADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3ccnc(Cl)c3F)C2)C1 ZINC001164717260 720215227 /nfs/dbraw/zinc/21/52/27/720215227.db2.gz HMEMFBVBWLXEIS-KRWDZBQOSA-N 1 2 420.863 2.084 20 0 HEADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)cc(C(C)(C)C)n3)C2)C1 ZINC001164720728 720276147 /nfs/dbraw/zinc/27/61/47/720276147.db2.gz COHIAORWAMGHAK-FQEVSTJZSA-N 1 2 409.962 2.092 20 0 HEADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)cc(C(C)(C)C)n3)C2)C1 ZINC001164720728 720276159 /nfs/dbraw/zinc/27/61/59/720276159.db2.gz COHIAORWAMGHAK-FQEVSTJZSA-N 1 2 409.962 2.092 20 0 HEADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ccnc(C5CC5)n4)CC3)C2=O)cs1 ZINC001164821061 720374837 /nfs/dbraw/zinc/37/48/37/720374837.db2.gz WGMWNGRLUBNYQO-UHFFFAOYSA-N 1 2 412.563 2.432 20 0 HEADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ccnc(C5CC5)n4)CC3)C2=O)cs1 ZINC001164821061 720374843 /nfs/dbraw/zinc/37/48/43/720374843.db2.gz WGMWNGRLUBNYQO-UHFFFAOYSA-N 1 2 412.563 2.432 20 0 HEADLO Cc1ccc(Cl)nc1N1Cc2ncn(C)c2[C@H](COCC[NH+]2CCOCC2)C1 ZINC001164825512 720429268 /nfs/dbraw/zinc/42/92/68/720429268.db2.gz NUMCIXMWSRYWFQ-INIZCTEOSA-N 1 2 405.930 2.230 20 0 HEADLO Cc1c[nH]c2nc(N3Cc4ncn(C)c4[C@@H](COCC[NH+]4CCOCC4)C3)ccc12 ZINC001164826976 720442506 /nfs/dbraw/zinc/44/25/06/720442506.db2.gz XKCMCVCCUPBECD-QGZVFWFLSA-N 1 2 410.522 2.057 20 0 HEADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1cc(Cl)ncc1F)C2 ZINC001164822467 720450708 /nfs/dbraw/zinc/45/07/08/720450708.db2.gz FQZSAJIIYRCDDP-AWEZNQCLSA-N 1 2 409.893 2.060 20 0 HEADLO Cc1cc2ccncc2nc1N1Cc2ncn(C)c2[C@@H](COCC[NH+]2CCOCC2)C1 ZINC001164833526 720477464 /nfs/dbraw/zinc/47/74/64/720477464.db2.gz PQLDJWLESCERRM-LJQANCHMSA-N 1 2 422.533 2.124 20 0 HEADLO O=c1cc(Cn2cc[nH+]c2)nc2n1CCCN(C(F)(F)c1cccc(Cl)n1)C2 ZINC001164860845 720895532 /nfs/dbraw/zinc/89/55/32/720895532.db2.gz VEXFAPOOLAMGKB-UHFFFAOYSA-N 1 2 406.824 2.492 20 0 HEADLO CCOC(=O)c1cnc(N2CCCn3c(C[N@H+](C)C(C)C)nnc3C2)c(OC)c1 ZINC001165009829 721706738 /nfs/dbraw/zinc/70/67/38/721706738.db2.gz WDJAAUYWKQJUHV-UHFFFAOYSA-N 1 2 402.499 2.109 20 0 HEADLO CCOC(=O)c1cnc(N2CCCn3c(C[N@@H+](C)C(C)C)nnc3C2)c(OC)c1 ZINC001165009829 721706740 /nfs/dbraw/zinc/70/67/40/721706740.db2.gz WDJAAUYWKQJUHV-UHFFFAOYSA-N 1 2 402.499 2.109 20 0 HEADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1nc(Cl)cc(O[C@H]3CCOC3)n1)C2 ZINC001165010840 721721508 /nfs/dbraw/zinc/72/15/08/721721508.db2.gz KBECHHWNACKOIS-AWEZNQCLSA-N 1 2 421.933 2.140 20 0 HEADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1nc(Cl)cc(O[C@H]3CCOC3)n1)C2 ZINC001165010840 721721518 /nfs/dbraw/zinc/72/15/18/721721518.db2.gz KBECHHWNACKOIS-AWEZNQCLSA-N 1 2 421.933 2.140 20 0 HEADLO Cn1cc(C(=O)N[C@@H]2C[N@@H+](C(C)(C)c3ccnc(Cl)c3)[C@@H]3CCCO[C@H]23)cn1 ZINC001165013748 721758674 /nfs/dbraw/zinc/75/86/74/721758674.db2.gz RVBBBOLYISMVMV-JFIYKMOQSA-N 1 2 403.914 2.365 20 0 HEADLO Cn1cc(C(=O)N[C@@H]2C[N@H+](C(C)(C)c3ccnc(Cl)c3)[C@@H]3CCCO[C@H]23)cn1 ZINC001165013748 721758677 /nfs/dbraw/zinc/75/86/77/721758677.db2.gz RVBBBOLYISMVMV-JFIYKMOQSA-N 1 2 403.914 2.365 20 0 HEADLO Cc1cccc2ncc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)nc12 ZINC001164912884 721779894 /nfs/dbraw/zinc/77/98/94/721779894.db2.gz RDUGCQMIDGAKHP-QHCPKHFHSA-N 1 2 405.502 2.441 20 0 HEADLO Cc1cccc2ncc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)nc12 ZINC001164912884 721779896 /nfs/dbraw/zinc/77/98/96/721779896.db2.gz RDUGCQMIDGAKHP-QHCPKHFHSA-N 1 2 405.502 2.441 20 0 HEADLO Cc1ccc2nc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)ncc2c1 ZINC001164915506 721785354 /nfs/dbraw/zinc/78/53/54/721785354.db2.gz KPJXQEXPQXBXET-QHCPKHFHSA-N 1 2 405.502 2.441 20 0 HEADLO Cc1ccc2nc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)ncc2c1 ZINC001164915506 721785360 /nfs/dbraw/zinc/78/53/60/721785360.db2.gz KPJXQEXPQXBXET-QHCPKHFHSA-N 1 2 405.502 2.441 20 0 HEADLO Clc1nnc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c2occc21 ZINC001164914506 721789516 /nfs/dbraw/zinc/78/95/16/721789516.db2.gz DPVDYWVSOSVFQN-HXUWFJFHSA-N 1 2 415.881 2.379 20 0 HEADLO Clc1nnc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c2occc21 ZINC001164914506 721789517 /nfs/dbraw/zinc/78/95/17/721789517.db2.gz DPVDYWVSOSVFQN-HXUWFJFHSA-N 1 2 415.881 2.379 20 0 HEADLO Clc1ccc2nc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)[nH]c2n1 ZINC001164917603 721790992 /nfs/dbraw/zinc/79/09/92/721790992.db2.gz YFJDTZJGVKKKCL-HXUWFJFHSA-N 1 2 414.897 2.114 20 0 HEADLO Clc1ccc2nc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)[nH]c2n1 ZINC001164917603 721790998 /nfs/dbraw/zinc/79/09/98/721790998.db2.gz YFJDTZJGVKKKCL-HXUWFJFHSA-N 1 2 414.897 2.114 20 0 HEADLO c1ccc(-c2cc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)ncn2)nc1 ZINC001164914243 721795572 /nfs/dbraw/zinc/79/55/72/721795572.db2.gz KYGXFQUKNVESJD-HSZRJFAPSA-N 1 2 418.501 2.041 20 0 HEADLO c1ccc(-c2cc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)ncn2)nc1 ZINC001164914243 721795573 /nfs/dbraw/zinc/79/55/73/721795573.db2.gz KYGXFQUKNVESJD-HSZRJFAPSA-N 1 2 418.501 2.041 20 0 HEADLO CSCc1ccnc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c1 ZINC001164913553 721799114 /nfs/dbraw/zinc/79/91/14/721799114.db2.gz FGSLUTKPDKGSQA-OAQYLSRUSA-N 1 2 400.548 2.447 20 0 HEADLO CSCc1ccnc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c1 ZINC001164913553 721799117 /nfs/dbraw/zinc/79/91/17/721799117.db2.gz FGSLUTKPDKGSQA-OAQYLSRUSA-N 1 2 400.548 2.447 20 0 HEADLO C[C@H]1CCc2nnc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)cc2C1 ZINC001164913971 721799348 /nfs/dbraw/zinc/79/93/48/721799348.db2.gz JIGSZKJHOBADPC-FDDCHVKYSA-N 1 2 409.534 2.104 20 0 HEADLO C[C@H]1CCc2nnc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)cc2C1 ZINC001164913971 721799351 /nfs/dbraw/zinc/79/93/51/721799351.db2.gz JIGSZKJHOBADPC-FDDCHVKYSA-N 1 2 409.534 2.104 20 0 HEADLO COc1c(Cl)nc(C)nc1N1CCC2(CC1)C(=O)NCC[N@H+]2Cc1ccccc1 ZINC001164946799 721973911 /nfs/dbraw/zinc/97/39/11/721973911.db2.gz WKJSBRMSDHDVPK-UHFFFAOYSA-N 1 2 415.925 2.418 20 0 HEADLO COc1c(Cl)nc(C)nc1N1CCC2(CC1)C(=O)NCC[N@@H+]2Cc1ccccc1 ZINC001164946799 721973913 /nfs/dbraw/zinc/97/39/13/721973913.db2.gz WKJSBRMSDHDVPK-UHFFFAOYSA-N 1 2 415.925 2.418 20 0 HEADLO C[C@H](NC(=O)CON=C(N)c1cccc(C[NH+]2CCOCC2)c1)c1ccc(F)cc1 ZINC000745448173 1078485784 /nfs/dbraw/zinc/48/57/84/1078485784.db2.gz DWYOFWPHXUJVLQ-INIZCTEOSA-N 1 2 414.481 2.382 20 0 HEADLO COc1cccc(/C=C(/C(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)n2nnnc2C)c1 ZINC000769751310 1078538541 /nfs/dbraw/zinc/53/85/41/1078538541.db2.gz AMIWCLOKUPUPQH-MCRQTXEHSA-N 1 2 407.478 2.128 20 0 HEADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)c1nccn2c(Br)cnc12 ZINC000769749666 1078559772 /nfs/dbraw/zinc/55/97/72/1078559772.db2.gz XQTORAUTRZKIKR-UHFFFAOYSA-N 1 2 417.267 2.284 20 0 HEADLO Cn1cc(C[C@@H]2CC(=O)N(C[NH+]3CCC(c4cccc(F)c4F)CC3)C2=O)cn1 ZINC000769781128 1078563131 /nfs/dbraw/zinc/56/31/31/1078563131.db2.gz DILQFKQRDPCVLU-MRXNPFEDSA-N 1 2 402.445 2.453 20 0 HEADLO Cc1ccc([C@H](C)C(=O)OCC(=O)NCc2ccccc2C[NH+]2CCOCC2)o1 ZINC000745664756 1078579139 /nfs/dbraw/zinc/57/91/39/1078579139.db2.gz KWTALVSVQGVWFX-KRWDZBQOSA-N 1 2 400.475 2.383 20 0 HEADLO CC(C)(C)OC(=O)N1CCC[C@H](CNC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)C1 ZINC000745797625 1078651575 /nfs/dbraw/zinc/65/15/75/1078651575.db2.gz NUAGRXUUEURNPN-MSOLQXFVSA-N 1 2 410.559 2.140 20 0 HEADLO CN(C)c1ccc([NH+]2CCC(NC(=O)N[C@H]3CCC[C@@H](S(C)(=O)=O)C3)CC2)cc1 ZINC000745836085 1078660303 /nfs/dbraw/zinc/66/03/03/1078660303.db2.gz BZWDHWYDRMDEOZ-FXAWDEMLSA-N 1 2 422.595 2.376 20 0 HEADLO CCC(CC)(CNC(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1)NC(=O)OC(C)(C)C ZINC000745806077 1078655096 /nfs/dbraw/zinc/65/50/96/1078655096.db2.gz CFVVPNMAKACKEK-HZPDHXFCSA-N 1 2 400.564 2.478 20 0 HEADLO CN(C)c1ccc([NH+]2CCC(NC(=O)NC[C@@H](O)COc3ccccc3)CC2)cc1 ZINC000745868245 1078668064 /nfs/dbraw/zinc/66/80/64/1078668064.db2.gz ORSJHTHTBRAJKW-OAQYLSRUSA-N 1 2 412.534 2.461 20 0 HEADLO COC(=O)C1=C(CN2CCC[C@@H](c3[nH+]ccn3C)C2)N(C)C(=O)N[C@@H]1c1ccccc1 ZINC000770027415 1078694440 /nfs/dbraw/zinc/69/44/40/1078694440.db2.gz OYKWNMXNTKYYRY-YLJYHZDGSA-N 1 2 423.517 2.423 20 0 HEADLO Cc1cc(S(=O)(=O)Nc2ccc(OCCN3CC[NH+](C)CC3)cc2)cnc1Cl ZINC000745995749 1078724925 /nfs/dbraw/zinc/72/49/25/1078724925.db2.gz ICGHDXQLAQFNBC-UHFFFAOYSA-N 1 2 424.954 2.470 20 0 HEADLO Cc1cc(S(=O)(=O)Nc2ccc(OCC[NH+]3CCN(C)CC3)cc2)cnc1Cl ZINC000745995749 1078724928 /nfs/dbraw/zinc/72/49/28/1078724928.db2.gz ICGHDXQLAQFNBC-UHFFFAOYSA-N 1 2 424.954 2.470 20 0 HEADLO CCOC1CC(CNC(=O)Nc2ccc(NC(=O)OC)cc2)([NH+]2CCOCC2)C1 ZINC000770225217 1078774720 /nfs/dbraw/zinc/77/47/20/1078774720.db2.gz RQXZSWFVGQUKTN-UHFFFAOYSA-N 1 2 406.483 2.256 20 0 HEADLO CCOC1CC(CNC(=O)Nc2cccc(NC(=O)OC)c2)([NH+]2CCOCC2)C1 ZINC000770229744 1078776180 /nfs/dbraw/zinc/77/61/80/1078776180.db2.gz VIANIAUHTMPEEO-UHFFFAOYSA-N 1 2 406.483 2.256 20 0 HEADLO CC(C)(C)[N@H+](CCS(C)(=O)=O)Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000770215895 1078789807 /nfs/dbraw/zinc/78/98/07/1078789807.db2.gz HVVXZILQFPHSEG-UHFFFAOYSA-N 1 2 416.341 2.102 20 0 HEADLO CC(C)(C)[N@@H+](CCS(C)(=O)=O)Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000770215895 1078789815 /nfs/dbraw/zinc/78/98/15/1078789815.db2.gz HVVXZILQFPHSEG-UHFFFAOYSA-N 1 2 416.341 2.102 20 0 HEADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N1CCN(C(=O)OCC(C)C)CC1 ZINC000770275932 1078802917 /nfs/dbraw/zinc/80/29/17/1078802917.db2.gz NSFVAGFVEFKQGL-UHFFFAOYSA-N 1 2 405.499 2.169 20 0 HEADLO O=C(Nc1ccc(Cl)cn1)[C@H]1CCC[N@H+](CN2C(=O)C[C@@]3(CCSC3)C2=O)C1 ZINC000746502162 1078817776 /nfs/dbraw/zinc/81/77/76/1078817776.db2.gz HIPCQHWDVWZAAK-ORAYPTAESA-N 1 2 422.938 2.225 20 0 HEADLO O=C(Nc1ccc(Cl)cn1)[C@H]1CCC[N@@H+](CN2C(=O)C[C@@]3(CCSC3)C2=O)C1 ZINC000746502162 1078817778 /nfs/dbraw/zinc/81/77/78/1078817778.db2.gz HIPCQHWDVWZAAK-ORAYPTAESA-N 1 2 422.938 2.225 20 0 HEADLO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1CN1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000770328192 1078829884 /nfs/dbraw/zinc/82/98/84/1078829884.db2.gz VZVNJUQHVYXPLV-UNEWFSDZSA-N 1 2 411.959 2.484 20 0 HEADLO CCCN(C(=O)c1cccs1)C1CCN(C(=O)NCC[N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000770370374 1078832529 /nfs/dbraw/zinc/83/25/29/1078832529.db2.gz RDKPOXGGIRGZQQ-KRWDZBQOSA-N 1 2 422.595 2.495 20 0 HEADLO CCCN(C(=O)c1cccs1)C1CCN(C(=O)NCC[N@H+]2CCO[C@@H](C)C2)CC1 ZINC000770370374 1078832532 /nfs/dbraw/zinc/83/25/32/1078832532.db2.gz RDKPOXGGIRGZQQ-KRWDZBQOSA-N 1 2 422.595 2.495 20 0 HEADLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)Nc2cccc(OCCS(C)(=O)=O)c2)C1 ZINC000770345049 1078837169 /nfs/dbraw/zinc/83/71/69/1078837169.db2.gz GXLBXCHXCBBZHG-HNNXBMFYSA-N 1 2 406.508 2.255 20 0 HEADLO O=C(CCC(=O)N1CCN(c2cccc[nH+]2)CC1)OCc1nnc(-c2ccccc2)o1 ZINC000766341392 1078857289 /nfs/dbraw/zinc/85/72/89/1078857289.db2.gz AAFHLVVJSKBMHV-UHFFFAOYSA-N 1 2 421.457 2.304 20 0 HEADLO COc1ccc(C)cc1C[NH+]1CCN(C(=O)C2=NN(CC(C)C)C(=O)CC2)CC1 ZINC000766345466 1078878065 /nfs/dbraw/zinc/87/80/65/1078878065.db2.gz CSYXVGWDFBSRIS-UHFFFAOYSA-N 1 2 400.523 2.282 20 0 HEADLO Cn1cc(C[C@H]2CC(=O)N(C[N@H+](CCc3ccccc3)Cc3cccnc3)C2=O)cn1 ZINC000746375379 1078882830 /nfs/dbraw/zinc/88/28/30/1078882830.db2.gz DVBNHVPCFWBCHC-QFIPXVFZSA-N 1 2 417.513 2.435 20 0 HEADLO Cn1cc(C[C@H]2CC(=O)N(C[N@@H+](CCc3ccccc3)Cc3cccnc3)C2=O)cn1 ZINC000746375379 1078882832 /nfs/dbraw/zinc/88/28/32/1078882832.db2.gz DVBNHVPCFWBCHC-QFIPXVFZSA-N 1 2 417.513 2.435 20 0 HEADLO Cc1ccc(CC[N@H+](C[C@H]2CCCO2)CN2C(=O)C[C@H](Cc3cnn(C)c3)C2=O)cc1 ZINC000746380568 1078885927 /nfs/dbraw/zinc/88/59/27/1078885927.db2.gz TUVDFGYKGRWCIO-FCHUYYIVSA-N 1 2 424.545 2.327 20 0 HEADLO Cc1ccc(CC[N@@H+](C[C@H]2CCCO2)CN2C(=O)C[C@H](Cc3cnn(C)c3)C2=O)cc1 ZINC000746380568 1078885930 /nfs/dbraw/zinc/88/59/30/1078885930.db2.gz TUVDFGYKGRWCIO-FCHUYYIVSA-N 1 2 424.545 2.327 20 0 HEADLO C[C@H]([C@H](C)NC(=O)N[C@H](CNC(=O)OC(C)(C)C)C1CCCC1)[NH+]1CCOCC1 ZINC000770544592 1078891687 /nfs/dbraw/zinc/89/16/87/1078891687.db2.gz JEPHSFXBJCELSA-LZLYRXPVSA-N 1 2 412.575 2.478 20 0 HEADLO O=C([C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCC(c2cc3ccccc3[nH]2)CC1 ZINC000746398031 1078895745 /nfs/dbraw/zinc/89/57/45/1078895745.db2.gz BITMEGJASBGSCQ-HXUWFJFHSA-N 1 2 424.545 2.055 20 0 HEADLO CC(C)(C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)C1CCCCC1 ZINC000766360487 1078922828 /nfs/dbraw/zinc/92/28/28/1078922828.db2.gz LMVUQGUGSYSEOB-UHFFFAOYSA-N 1 2 422.595 2.256 20 0 HEADLO CS(=O)(=O)c1cc(S(=O)(=O)N2CCC[C@@H]2C[NH+]2CCCC2)c(Cl)s1 ZINC000770667766 1078925886 /nfs/dbraw/zinc/92/58/86/1078925886.db2.gz FXJXCSMBUSGSHF-LLVKDONJSA-N 1 2 412.986 2.054 20 0 HEADLO C[C@H]([C@H](C)NC(=O)[C@@H]1CCCN(C(=O)OCc2ccccc2)C1)[NH+]1CCOCC1 ZINC000766380466 1078929943 /nfs/dbraw/zinc/92/99/43/1078929943.db2.gz SXZHJVVGGFYJQL-NLWGTHIKSA-N 1 2 403.523 2.261 20 0 HEADLO O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)c1ccc(S[C@@H]2CCOC2=O)cc1 ZINC000770654951 1078941011 /nfs/dbraw/zinc/94/10/11/1078941011.db2.gz GKHJZLMEWSXSEF-YLJYHZDGSA-N 1 2 422.572 2.032 20 0 HEADLO O=C(c1ccc(S[C@@H]2CCOC2=O)cc1)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000770656594 1078942777 /nfs/dbraw/zinc/94/27/77/1078942777.db2.gz KUFVOOQFMNSXRY-PKOBYXMFSA-N 1 2 404.532 2.421 20 0 HEADLO COC(=O)c1cc(S(=O)(=O)N2CC[N@H+](C)[C@@H](C)[C@H]2C)c(Br)cc1F ZINC000770723612 1078951297 /nfs/dbraw/zinc/95/12/97/1078951297.db2.gz ORCVYWFZXFYWSI-VHSXEESVSA-N 1 2 423.304 2.088 20 0 HEADLO COC(=O)c1cc(S(=O)(=O)N2CC[N@@H+](C)[C@@H](C)[C@H]2C)c(Br)cc1F ZINC000770723612 1078951309 /nfs/dbraw/zinc/95/13/09/1078951309.db2.gz ORCVYWFZXFYWSI-VHSXEESVSA-N 1 2 423.304 2.088 20 0 HEADLO COC(=O)C[C@@]1([NH2+]Cc2nnc(-c3ccc(Br)o3)o2)CCCOC1 ZINC000770698719 1078966890 /nfs/dbraw/zinc/96/68/90/1078966890.db2.gz NARIJBDKLCSJBD-HNNXBMFYSA-N 1 2 400.229 2.294 20 0 HEADLO COc1cc(OC)cc(-n2nnnc2CN(C)c2[nH+]cnc3c2cnn3C(C)(C)C)c1 ZINC000766422435 1078973620 /nfs/dbraw/zinc/97/36/20/1078973620.db2.gz CJLCMBDTSQEOAI-UHFFFAOYSA-N 1 2 423.481 2.211 20 0 HEADLO COc1ccc(C(=O)NC(=O)C[N@@H+]2CCC[C@@H](C(=O)Nc3ccc(C)cn3)C2)cc1 ZINC000746456978 1078995856 /nfs/dbraw/zinc/99/58/56/1078995856.db2.gz HECXIZQKYZZAQW-QGZVFWFLSA-N 1 2 410.474 2.006 20 0 HEADLO COc1ccc(C(=O)NC(=O)C[N@H+]2CCC[C@@H](C(=O)Nc3ccc(C)cn3)C2)cc1 ZINC000746456978 1078995868 /nfs/dbraw/zinc/99/58/68/1078995868.db2.gz HECXIZQKYZZAQW-QGZVFWFLSA-N 1 2 410.474 2.006 20 0 HEADLO CC(C)(C)n1ncc2c1nc[nH+]c2N1CCN(S(C)(=O)=O)c2ccccc2C1 ZINC000766433581 1079002549 /nfs/dbraw/zinc/00/25/49/1079002549.db2.gz ZWOQFCASDMZEQN-UHFFFAOYSA-N 1 2 400.508 2.368 20 0 HEADLO COC(=O)C[C@@H]1CSCC[N@@H+]1CC(=O)Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000746464094 1079010685 /nfs/dbraw/zinc/01/06/85/1079010685.db2.gz RJRRIGFMBKWFSI-GPMSIDNRSA-N 1 2 421.563 2.219 20 0 HEADLO COC(=O)C[C@@H]1CSCC[N@H+]1CC(=O)Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000746464094 1079010694 /nfs/dbraw/zinc/01/06/94/1079010694.db2.gz RJRRIGFMBKWFSI-GPMSIDNRSA-N 1 2 421.563 2.219 20 0 HEADLO C[S@](=O)CC[NH+]1CCN(CCC(=O)N[C@@H](c2cccs2)c2ccccc2)CC1 ZINC000746470346 1079019922 /nfs/dbraw/zinc/01/99/22/1079019922.db2.gz WBKHWUWOAFENPA-PIKZIKFNSA-N 1 2 419.616 2.340 20 0 HEADLO C[C@@H]1C[C@H]([N@@H+]2CCc3onc(CN4CCOCC4)c3C2)CN1C(=O)OC(C)(C)C ZINC001168852455 1079052257 /nfs/dbraw/zinc/05/22/57/1079052257.db2.gz CNYOUQHKMUREMG-CVEARBPZSA-N 1 2 406.527 2.263 20 0 HEADLO C[C@@H]1C[C@H]([N@H+]2CCc3onc(CN4CCOCC4)c3C2)CN1C(=O)OC(C)(C)C ZINC001168852455 1079052261 /nfs/dbraw/zinc/05/22/61/1079052261.db2.gz CNYOUQHKMUREMG-CVEARBPZSA-N 1 2 406.527 2.263 20 0 HEADLO CCOC1CC(CNC(=S)N[C@H]2CCc3ccccc3C2)([NH+]2CCOCC2)C1 ZINC000766523632 1079062653 /nfs/dbraw/zinc/06/26/53/1079062653.db2.gz VMAXKEKCJQLZEX-YMISUZCDSA-N 1 2 403.592 2.278 20 0 HEADLO C[C@@H]([NH2+][C@@H](C)C(=O)NCCc1ccc2c(c1)OCCO2)c1nnc2n1CCCCC2 ZINC001169032754 1079103839 /nfs/dbraw/zinc/10/38/39/1079103839.db2.gz MBWHGIHPUFJOBH-CVEARBPZSA-N 1 2 413.522 2.174 20 0 HEADLO CC(C)CN1N=C(C(=O)N[C@H](c2ccc(Cl)cc2)[C@@H]2C[N@H+](C)CCO2)CCC1=O ZINC000766568635 1079104724 /nfs/dbraw/zinc/10/47/24/1079104724.db2.gz DJKSQISCJJLNBJ-AZUAARDMSA-N 1 2 420.941 2.462 20 0 HEADLO CC(C)CN1N=C(C(=O)N[C@H](c2ccc(Cl)cc2)[C@@H]2C[N@@H+](C)CCO2)CCC1=O ZINC000766568635 1079104725 /nfs/dbraw/zinc/10/47/25/1079104725.db2.gz DJKSQISCJJLNBJ-AZUAARDMSA-N 1 2 420.941 2.462 20 0 HEADLO CCOC(=O)c1cc2cc(Br)c(N[C@H]3C[NH2+][C@H](C(=O)OC)C3)cc2[nH]1 ZINC001169136222 1079153171 /nfs/dbraw/zinc/15/31/71/1079153171.db2.gz GNQQZBKSVUCJFA-YGRLFVJLSA-N 1 2 410.268 2.423 20 0 HEADLO CC(C)(COc1ccc(C(F)(F)F)cn1)[NH2+]Cc1nnc(S(C)(=O)=O)s1 ZINC001169208797 1079195642 /nfs/dbraw/zinc/19/56/42/1079195642.db2.gz XCLIESBWZUIXKY-UHFFFAOYSA-N 1 2 410.443 2.303 20 0 HEADLO C[C@H]1CN(C(=O)C[N@@H+]2CCCN(c3nnc(C(F)(F)F)s3)CC2)CC(C)(C)O1 ZINC001169224214 1079201906 /nfs/dbraw/zinc/20/19/06/1079201906.db2.gz FGRYQNPLISTSCG-LBPRGKRZSA-N 1 2 421.489 2.095 20 0 HEADLO C[C@H]1CN(C(=O)C[N@H+]2CCCN(c3nnc(C(F)(F)F)s3)CC2)CC(C)(C)O1 ZINC001169224214 1079201910 /nfs/dbraw/zinc/20/19/10/1079201910.db2.gz FGRYQNPLISTSCG-LBPRGKRZSA-N 1 2 421.489 2.095 20 0 HEADLO Cc1ccc(C(=O)NCCC(=O)NCc2cc[nH+]c(N3CCSCC3)c2)c(O)c1 ZINC001169225010 1079202716 /nfs/dbraw/zinc/20/27/16/1079202716.db2.gz HRQPYTSCTCBDPN-UHFFFAOYSA-N 1 2 414.531 2.085 20 0 HEADLO O=C(Nc1ccc(SC(F)F)nc1)C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000771230169 1079218925 /nfs/dbraw/zinc/21/89/25/1079218925.db2.gz WQHFDEYUTFXAFL-KGLIPLIRSA-N 1 2 414.478 2.094 20 0 HEADLO O=C(C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[C@H]1C1CC1)C2)NCc1cc(F)cc(F)c1 ZINC001109820887 1079228577 /nfs/dbraw/zinc/22/85/77/1079228577.db2.gz VGQXOIVVNUMZBZ-RMMWZPCPSA-N 1 2 403.473 2.349 20 0 HEADLO O=C(C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[C@H]1C1CC1)C2)NCc1cc(F)cc(F)c1 ZINC001109820887 1079228590 /nfs/dbraw/zinc/22/85/90/1079228590.db2.gz VGQXOIVVNUMZBZ-RMMWZPCPSA-N 1 2 403.473 2.349 20 0 HEADLO CCOC(=O)[C@@H]1CC[C@@H]([N@H+]2Cc3nccn3C[C@H](COCc3cccnc3)C2)CO1 ZINC001169391778 1079261890 /nfs/dbraw/zinc/26/18/90/1079261890.db2.gz JZYWCYCNSYOVQY-ZCNNSNEGSA-N 1 2 414.506 2.037 20 0 HEADLO CCOC(=O)[C@@H]1CC[C@@H]([N@@H+]2Cc3nccn3C[C@H](COCc3cccnc3)C2)CO1 ZINC001169391778 1079261897 /nfs/dbraw/zinc/26/18/97/1079261897.db2.gz JZYWCYCNSYOVQY-ZCNNSNEGSA-N 1 2 414.506 2.037 20 0 HEADLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 ZINC001687510881 1079262865 /nfs/dbraw/zinc/26/28/65/1079262865.db2.gz HQAWILYLSXAHGZ-XDNAFOTISA-N 1 2 410.559 2.137 20 0 HEADLO Cc1cccc2c1CN(C(=O)OC(C)(C)C)CCN2C[C@H](O)C[NH+]1CCOCC1 ZINC000771454250 1079329901 /nfs/dbraw/zinc/32/99/01/1079329901.db2.gz IVLBYYHCSUDXHR-GOSISDBHSA-N 1 2 405.539 2.245 20 0 HEADLO Cc1ccc(NC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)c(Br)n1 ZINC000771511549 1079367328 /nfs/dbraw/zinc/36/73/28/1079367328.db2.gz SUNZCJHSHSAYGY-INIZCTEOSA-N 1 2 415.357 2.482 20 0 HEADLO Cc1ccc(N2N=C(Br)C[C@@H]2C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000771557996 1079384848 /nfs/dbraw/zinc/38/48/48/1079384848.db2.gz AZXNXHHRTFGOMC-DLBZAZTESA-N 1 2 421.339 2.215 20 0 HEADLO Cc1noc(C)c1S(=O)(=O)N1CCC[N@H+](C[C@H](O)c2ccc(Cl)cc2)CC1 ZINC000771571517 1079376297 /nfs/dbraw/zinc/37/62/97/1079376297.db2.gz DOAPWDKQRHPPCS-KRWDZBQOSA-N 1 2 413.927 2.375 20 0 HEADLO Cc1noc(C)c1S(=O)(=O)N1CCC[N@@H+](C[C@H](O)c2ccc(Cl)cc2)CC1 ZINC000771571517 1079376305 /nfs/dbraw/zinc/37/63/05/1079376305.db2.gz DOAPWDKQRHPPCS-KRWDZBQOSA-N 1 2 413.927 2.375 20 0 HEADLO COc1ccccc1[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000771562570 1079386477 /nfs/dbraw/zinc/38/64/77/1079386477.db2.gz RWIYNJVEOHYZRO-QFBILLFUSA-N 1 2 419.522 2.194 20 0 HEADLO O=C(c1ccccc1)N1CCC[C@H]([N@H+]2Cc3nccn3C[C@@H](CN3CCCC3=O)C2)C1 ZINC001169768672 1079401306 /nfs/dbraw/zinc/40/13/06/1079401306.db2.gz AATPJCLZZSCEAJ-FPOVZHCZSA-N 1 2 421.545 2.242 20 0 HEADLO O=C(c1ccccc1)N1CCC[C@H]([N@@H+]2Cc3nccn3C[C@@H](CN3CCCC3=O)C2)C1 ZINC001169768672 1079401316 /nfs/dbraw/zinc/40/13/16/1079401316.db2.gz AATPJCLZZSCEAJ-FPOVZHCZSA-N 1 2 421.545 2.242 20 0 HEADLO NC(=O)c1cc(OC2CC[NH+](CN3C[C@@H](c4cccc(F)c4)CC3=O)CC2)ccn1 ZINC000771620556 1079404684 /nfs/dbraw/zinc/40/46/84/1079404684.db2.gz SLZAFIVZHDLVNL-INIZCTEOSA-N 1 2 412.465 2.136 20 0 HEADLO CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000771629113 1079413819 /nfs/dbraw/zinc/41/38/19/1079413819.db2.gz VQSNQPZPZOQHGA-MRXNPFEDSA-N 1 2 420.441 2.084 20 0 HEADLO COc1ccccc1S(=O)(=O)CCC[NH+]1CCC([C@@H](O)c2nccn2C)CC1 ZINC000766827633 1079411839 /nfs/dbraw/zinc/41/18/39/1079411839.db2.gz OZBDSTOMYFRORY-LJQANCHMSA-N 1 2 407.536 2.038 20 0 HEADLO O[C@H](C[NH+]1CCC(O)(c2scnc2Br)CC1)CC1(O)CCCC1 ZINC001169790568 1079421427 /nfs/dbraw/zinc/42/14/27/1079421427.db2.gz AXKKDABLKMXSCA-LBPRGKRZSA-N 1 2 405.358 2.245 20 0 HEADLO C[N@@H+](CC(=O)Nc1ccccc1Cl)C[C@H](O)Cn1c(=O)onc1-c1ccccc1 ZINC000771660825 1079430701 /nfs/dbraw/zinc/43/07/01/1079430701.db2.gz VSDJSDVCNAUPKQ-HNNXBMFYSA-N 1 2 416.865 2.088 20 0 HEADLO C[N@H+](CC(=O)Nc1ccccc1Cl)C[C@H](O)Cn1c(=O)onc1-c1ccccc1 ZINC000771660825 1079430704 /nfs/dbraw/zinc/43/07/04/1079430704.db2.gz VSDJSDVCNAUPKQ-HNNXBMFYSA-N 1 2 416.865 2.088 20 0 HEADLO Cc1cccc(CO[C@@H]2C[C@H]3C[N@@H+](C4CCC(S(C)(=O)=O)CC4)CCN3C2)n1 ZINC001169882538 1079457196 /nfs/dbraw/zinc/45/71/96/1079457196.db2.gz NWPKYELJUKGAKA-RKDVLTNBSA-N 1 2 407.580 2.021 20 0 HEADLO Cc1cccc(CO[C@@H]2C[C@H]3C[N@H+](C4CCC(S(C)(=O)=O)CC4)CCN3C2)n1 ZINC001169882538 1079457208 /nfs/dbraw/zinc/45/72/08/1079457208.db2.gz NWPKYELJUKGAKA-RKDVLTNBSA-N 1 2 407.580 2.021 20 0 HEADLO COC(=O)c1ccc(CN2CC[N@@H+](C3CCC(S(C)(=O)=O)CC3)[C@H](C)C2)cc1 ZINC001169890751 1079463409 /nfs/dbraw/zinc/46/34/09/1079463409.db2.gz OTNPOQBIMWYCHF-PBPGXSGUSA-N 1 2 408.564 2.335 20 0 HEADLO COC(=O)c1ccc(CN2CC[N@H+](C3CCC(S(C)(=O)=O)CC3)[C@H](C)C2)cc1 ZINC001169890751 1079463412 /nfs/dbraw/zinc/46/34/12/1079463412.db2.gz OTNPOQBIMWYCHF-PBPGXSGUSA-N 1 2 408.564 2.335 20 0 HEADLO CC[C@]1(C(C)C)NC(=O)N(C[NH+]2CCC(NC(=O)NC3CCCCC3)CC2)C1=O ZINC000738029540 1075954225 /nfs/dbraw/zinc/95/42/25/1075954225.db2.gz HOSWZNATUHRTAK-OAQYLSRUSA-N 1 2 407.559 2.397 20 0 HEADLO C[N@H+](C[C@@H]1CCCO1)CN1C(=O)N[C@@](C)(c2ccc(Br)s2)C1=O ZINC000738060662 1075961788 /nfs/dbraw/zinc/96/17/88/1075961788.db2.gz HYGFKVINOICOSH-BONVTDFDSA-N 1 2 402.314 2.346 20 0 HEADLO C[N@@H+](C[C@@H]1CCCO1)CN1C(=O)N[C@@](C)(c2ccc(Br)s2)C1=O ZINC000738060662 1075961794 /nfs/dbraw/zinc/96/17/94/1075961794.db2.gz HYGFKVINOICOSH-BONVTDFDSA-N 1 2 402.314 2.346 20 0 HEADLO O=C1N[C@](c2ccccc2)(C(F)(F)F)C(=O)N1CN1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000738149466 1075969361 /nfs/dbraw/zinc/96/93/61/1075969361.db2.gz RVGCRISQVUFEGO-QAPCUYQASA-N 1 2 407.396 2.487 20 0 HEADLO CN(CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1)Cc1nccn1CC(F)(F)F ZINC000738328663 1075982096 /nfs/dbraw/zinc/98/20/96/1075982096.db2.gz JARZDRWPOONCOS-UHFFFAOYSA-N 1 2 405.465 2.430 20 0 HEADLO C[C@H](c1nnnn1-c1ccccc1)N(C)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000738326757 1075990991 /nfs/dbraw/zinc/99/09/91/1075990991.db2.gz RBXUOLJTVPAIIH-QGZVFWFLSA-N 1 2 415.542 2.208 20 0 HEADLO COc1ccc2nc(Cl)ccc2c1S(=O)(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000738413329 1075995537 /nfs/dbraw/zinc/99/55/37/1075995537.db2.gz TZIDBUMXHMABSK-CYBMUJFWSA-N 1 2 413.927 2.143 20 0 HEADLO O=C(CC[S@](=O)c1ccc2c(c1)OCCO2)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000740744493 1079501120 /nfs/dbraw/zinc/50/11/20/1079501120.db2.gz OWXJRKHCIJQIOR-LJAQVGFWSA-N 1 2 411.483 2.458 20 0 HEADLO C[C@H]1CCN(S(=O)(=O)CCNC(=O)OCc2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000771779927 1079502011 /nfs/dbraw/zinc/50/20/11/1079502011.db2.gz JMDJBEFGGXKNMM-WMZOPIPTSA-N 1 2 406.508 2.022 20 0 HEADLO COC(=O)Nc1ccc(CCNC(=O)C(=O)Nc2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000739097528 1076044793 /nfs/dbraw/zinc/04/47/93/1076044793.db2.gz NANFFLAJHMRBMZ-UHFFFAOYSA-N 1 2 407.430 2.348 20 0 HEADLO O=C(NCCc1cn2c([nH+]1)CCCC2)NC[C@@H](O)c1cc(Cl)c2c(c1)OCCO2 ZINC000740030912 1076097159 /nfs/dbraw/zinc/09/71/59/1076097159.db2.gz NHCBTXAGVYWMTF-MRXNPFEDSA-N 1 2 420.897 2.219 20 0 HEADLO C[C@H](CNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)Cn1cc[nH+]c1 ZINC000740727400 1076217684 /nfs/dbraw/zinc/21/76/84/1076217684.db2.gz NZTVKPRVLXDOPW-CQSZACIVSA-N 1 2 410.927 2.387 20 0 HEADLO CC[N@@H+]1C[C@H](C)N(CC(=O)N(c2ccc(C)c(C)c2)[C@H]2C=CS(=O)(=O)C2)C[C@H]1C ZINC000766255399 1076235327 /nfs/dbraw/zinc/23/53/27/1076235327.db2.gz XSIQTSRMGUKIES-DYXWJJEUSA-N 1 2 419.591 2.362 20 0 HEADLO CC[N@H+]1C[C@H](C)N(CC(=O)N(c2ccc(C)c(C)c2)[C@H]2C=CS(=O)(=O)C2)C[C@H]1C ZINC000766255399 1076235332 /nfs/dbraw/zinc/23/53/32/1076235332.db2.gz XSIQTSRMGUKIES-DYXWJJEUSA-N 1 2 419.591 2.362 20 0 HEADLO C[C@H]1C[N@H+](CN2C(=O)NC(C3CC3)(C3CC3)C2=O)CC[C@H]1NC(=O)OC(C)(C)C ZINC000740856864 1076269708 /nfs/dbraw/zinc/26/97/08/1076269708.db2.gz WJXDZOJLMQYHAP-XJKSGUPXSA-N 1 2 406.527 2.290 20 0 HEADLO C[C@H]1C[N@@H+](CN2C(=O)NC(C3CC3)(C3CC3)C2=O)CC[C@H]1NC(=O)OC(C)(C)C ZINC000740856864 1076269712 /nfs/dbraw/zinc/26/97/12/1076269712.db2.gz WJXDZOJLMQYHAP-XJKSGUPXSA-N 1 2 406.527 2.290 20 0 HEADLO Cc1noc2ncc(C(=O)OCC(=O)N3CC[NH+](Cc4cccs4)CC3)cc12 ZINC000740950141 1076311571 /nfs/dbraw/zinc/31/15/71/1076311571.db2.gz OCTYDECJHCLMBR-UHFFFAOYSA-N 1 2 400.460 2.094 20 0 HEADLO CCC[C@@H]1C(=O)NCC[N@H+]1C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000766263015 1076325552 /nfs/dbraw/zinc/32/55/52/1076325552.db2.gz BKWHVYSOEZMLTR-OTWHNJEPSA-N 1 2 405.539 2.084 20 0 HEADLO CCC[C@@H]1C(=O)NCC[N@@H+]1C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000766263015 1076325557 /nfs/dbraw/zinc/32/55/57/1076325557.db2.gz BKWHVYSOEZMLTR-OTWHNJEPSA-N 1 2 405.539 2.084 20 0 HEADLO COC(=O)c1cc(Cl)cc(NC(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)c1 ZINC000741069851 1076352214 /nfs/dbraw/zinc/35/22/14/1076352214.db2.gz ISHQIYOSKVOGNC-UHFFFAOYSA-N 1 2 407.858 2.299 20 0 HEADLO O=C(COC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1)NCCc1ccc(F)cc1 ZINC000741358177 1076482854 /nfs/dbraw/zinc/48/28/54/1076482854.db2.gz XMMUMKHUWYRFAR-NRFANRHFSA-N 1 2 414.477 2.319 20 0 HEADLO O=C(COC(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1)NCCc1ccc(F)cc1 ZINC000741358177 1076482863 /nfs/dbraw/zinc/48/28/63/1076482863.db2.gz XMMUMKHUWYRFAR-NRFANRHFSA-N 1 2 414.477 2.319 20 0 HEADLO O=C(COC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)NCc1ccc(F)cc1 ZINC000741353781 1076493147 /nfs/dbraw/zinc/49/31/47/1076493147.db2.gz JSIHHUUZJITGQS-HXUWFJFHSA-N 1 2 400.450 2.276 20 0 HEADLO O=C(COC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)NCc1ccc(F)cc1 ZINC000741353781 1076493149 /nfs/dbraw/zinc/49/31/49/1076493149.db2.gz JSIHHUUZJITGQS-HXUWFJFHSA-N 1 2 400.450 2.276 20 0 HEADLO COC(=O)c1cccn2cc(COC(=O)C[C@H]3C[N@H+](Cc4ccccc4)CCO3)nc12 ZINC000741357007 1076494115 /nfs/dbraw/zinc/49/41/15/1076494115.db2.gz SGEJDSOEBWGMDN-IBGZPJMESA-N 1 2 423.469 2.455 20 0 HEADLO COC(=O)c1cccn2cc(COC(=O)C[C@H]3C[N@@H+](Cc4ccccc4)CCO3)nc12 ZINC000741357007 1076494120 /nfs/dbraw/zinc/49/41/20/1076494120.db2.gz SGEJDSOEBWGMDN-IBGZPJMESA-N 1 2 423.469 2.455 20 0 HEADLO O=C(COC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1)N1CCc2sccc2C1 ZINC000741383217 1076506419 /nfs/dbraw/zinc/50/64/19/1076506419.db2.gz SXRMQHZESIDCLN-GOSISDBHSA-N 1 2 400.500 2.077 20 0 HEADLO O=C(COC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CCc2sccc2C1 ZINC000741383217 1076506425 /nfs/dbraw/zinc/50/64/25/1076506425.db2.gz SXRMQHZESIDCLN-GOSISDBHSA-N 1 2 400.500 2.077 20 0 HEADLO COC(=O)c1cccn2cc(COC(=O)[C@@H]3C[N@H+](Cc4ccccc4)CCO3)nc12 ZINC000741382471 1076506947 /nfs/dbraw/zinc/50/69/47/1076506947.db2.gz IFHULSQQEOQRMM-IBGZPJMESA-N 1 2 409.442 2.065 20 0 HEADLO COC(=O)c1cccn2cc(COC(=O)[C@@H]3C[N@@H+](Cc4ccccc4)CCO3)nc12 ZINC000741382471 1076506954 /nfs/dbraw/zinc/50/69/54/1076506954.db2.gz IFHULSQQEOQRMM-IBGZPJMESA-N 1 2 409.442 2.065 20 0 HEADLO O=C(COC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1)NCc1ccc(Cl)cc1 ZINC000741383355 1076507758 /nfs/dbraw/zinc/50/77/58/1076507758.db2.gz LUGADEJGSPYVDX-IBGZPJMESA-N 1 2 402.878 2.400 20 0 HEADLO O=C(COC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)NCc1ccc(Cl)cc1 ZINC000741383355 1076507771 /nfs/dbraw/zinc/50/77/71/1076507771.db2.gz LUGADEJGSPYVDX-IBGZPJMESA-N 1 2 402.878 2.400 20 0 HEADLO COc1ccc(C=O)c(OCC(=O)N[C@H](C)C[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000741699349 1076595944 /nfs/dbraw/zinc/59/59/44/1076595944.db2.gz LTFCJBRWJMIWRA-GOSISDBHSA-N 1 2 411.502 2.213 20 0 HEADLO COc1ccc(C=O)c(OCC(=O)N[C@@H](C)C[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000741699350 1076595971 /nfs/dbraw/zinc/59/59/71/1076595971.db2.gz LTFCJBRWJMIWRA-SFHVURJKSA-N 1 2 411.502 2.213 20 0 HEADLO C[C@@H](C(=O)NC1CCCC1)N1CC[NH+](C[C@@H]2CN(c3ccccc3)C(=O)O2)CC1 ZINC000741780465 1076624645 /nfs/dbraw/zinc/62/46/45/1076624645.db2.gz YUQALMHNHKXSHG-FXAWDEMLSA-N 1 2 400.523 2.077 20 0 HEADLO CS(=O)(=O)Nc1cccc2c1CC[N@H+](C[C@@H]1CN(c3ccccc3)C(=O)O1)C2 ZINC000741781848 1076625173 /nfs/dbraw/zinc/62/51/73/1076625173.db2.gz DVSOGSCGQRCLJU-QGZVFWFLSA-N 1 2 401.488 2.442 20 0 HEADLO CS(=O)(=O)Nc1cccc2c1CC[N@@H+](C[C@@H]1CN(c3ccccc3)C(=O)O1)C2 ZINC000741781848 1076625175 /nfs/dbraw/zinc/62/51/75/1076625175.db2.gz DVSOGSCGQRCLJU-QGZVFWFLSA-N 1 2 401.488 2.442 20 0 HEADLO Fc1cccc(-c2nnc(Cn3nnc([C@H]4C[N@H+](Cc5ccccc5)CCO4)n3)o2)c1 ZINC000741861696 1076658447 /nfs/dbraw/zinc/65/84/47/1076658447.db2.gz STKBHDJNIKGZSI-GOSISDBHSA-N 1 2 421.436 2.484 20 0 HEADLO Fc1cccc(-c2nnc(Cn3nnc([C@H]4C[N@@H+](Cc5ccccc5)CCO4)n3)o2)c1 ZINC000741861696 1076658457 /nfs/dbraw/zinc/65/84/57/1076658457.db2.gz STKBHDJNIKGZSI-GOSISDBHSA-N 1 2 421.436 2.484 20 0 HEADLO COc1ccc2sc(C(=O)NC3CC[NH+](CCS(C)(=O)=O)CC3)c(C)c2c1 ZINC000742073228 1076735465 /nfs/dbraw/zinc/73/54/65/1076735465.db2.gz WAWMZBBSJCXMCH-UHFFFAOYSA-N 1 2 410.561 2.457 20 0 HEADLO CC[C@H](c1ccc(F)cc1F)[NH+]1CCN(Cn2nc(C(=O)OC)ccc2=O)CC1 ZINC000742171976 1076763232 /nfs/dbraw/zinc/76/32/32/1076763232.db2.gz KIADKBAXEALDGR-GOSISDBHSA-N 1 2 406.433 2.035 20 0 HEADLO OC1C[C@H]2CC[C@@H](C1)[N@H+]2Cn1nc(N2CCOCC2)n(-c2ccccc2)c1=S ZINC000742149783 1076765507 /nfs/dbraw/zinc/76/55/07/1076765507.db2.gz LHDIPIWORCYLMQ-JWTNVVGKSA-N 1 2 401.536 2.185 20 0 HEADLO OC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cn1nc(N2CCOCC2)n(-c2ccccc2)c1=S ZINC000742149783 1076765516 /nfs/dbraw/zinc/76/55/16/1076765516.db2.gz LHDIPIWORCYLMQ-JWTNVVGKSA-N 1 2 401.536 2.185 20 0 HEADLO C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(C[N@@H+]2CC[C@@H](CN3CCOCC3)C2)C1=O ZINC000742162628 1076773268 /nfs/dbraw/zinc/77/32/68/1076773268.db2.gz XBMUISBULGJNJI-UUOWRZLLSA-N 1 2 422.529 2.218 20 0 HEADLO C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(C[N@H+]2CC[C@@H](CN3CCOCC3)C2)C1=O ZINC000742162628 1076773275 /nfs/dbraw/zinc/77/32/75/1076773275.db2.gz XBMUISBULGJNJI-UUOWRZLLSA-N 1 2 422.529 2.218 20 0 HEADLO C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(Cn2cc(S(=O)(=O)N(C)C)cn2)CC1 ZINC000742177777 1076792854 /nfs/dbraw/zinc/79/28/54/1076792854.db2.gz ZIFQRHQZFNIISQ-HNNXBMFYSA-N 1 2 411.959 2.123 20 0 HEADLO CC(C)NS(=O)(=O)c1cccc(C(=O)N2CCC([N@H+](C)CC(F)F)CC2)c1 ZINC000742235286 1076802712 /nfs/dbraw/zinc/80/27/12/1076802712.db2.gz BASDNZZYWGLFBP-UHFFFAOYSA-N 1 2 403.495 2.175 20 0 HEADLO CC(C)NS(=O)(=O)c1cccc(C(=O)N2CCC([N@@H+](C)CC(F)F)CC2)c1 ZINC000742235286 1076802715 /nfs/dbraw/zinc/80/27/15/1076802715.db2.gz BASDNZZYWGLFBP-UHFFFAOYSA-N 1 2 403.495 2.175 20 0 HEADLO COc1cc(C(=O)N2CCC([N@H+](C)CC(F)F)CC2)cc(Cl)c1OCC(N)=O ZINC000742239599 1076803854 /nfs/dbraw/zinc/80/38/54/1076803854.db2.gz WTRRGPAXTXJLEX-UHFFFAOYSA-N 1 2 419.856 2.014 20 0 HEADLO COc1cc(C(=O)N2CCC([N@@H+](C)CC(F)F)CC2)cc(Cl)c1OCC(N)=O ZINC000742239599 1076803858 /nfs/dbraw/zinc/80/38/58/1076803858.db2.gz WTRRGPAXTXJLEX-UHFFFAOYSA-N 1 2 419.856 2.014 20 0 HEADLO CNC(=O)c1ccc(S(=O)(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)cc1 ZINC000742317397 1076828779 /nfs/dbraw/zinc/82/87/79/1076828779.db2.gz CSJVIXSSUMDUQQ-UHFFFAOYSA-N 1 2 416.547 2.060 20 0 HEADLO Cc1ccc(NC(=S)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)cc1C ZINC000737464907 1076858152 /nfs/dbraw/zinc/85/81/52/1076858152.db2.gz BYJYRAVMLBVZLM-UHFFFAOYSA-N 1 2 412.563 2.449 20 0 HEADLO Cc1ccc(NC(=S)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)cc1C ZINC000737464907 1076858155 /nfs/dbraw/zinc/85/81/55/1076858155.db2.gz BYJYRAVMLBVZLM-UHFFFAOYSA-N 1 2 412.563 2.449 20 0 HEADLO N=C1NC(=O)[C@@H](CC(=O)N2CC[NH+](CCC34CC5CC(CC(C5)C3)C4)CC2)S1 ZINC000742666592 1076862430 /nfs/dbraw/zinc/86/24/30/1076862430.db2.gz ZFQCIEXFZZHMLT-JRQWYPPZSA-N 1 2 404.580 2.294 20 0 HEADLO N=C1NC(=O)C(CC(=O)N2CC[NH+](CCC34CC5CC(CC(C5)C3)C4)CC2)S1 ZINC000742666592 1076862431 /nfs/dbraw/zinc/86/24/31/1076862431.db2.gz ZFQCIEXFZZHMLT-JRQWYPPZSA-N 1 2 404.580 2.294 20 0 HEADLO O=C([C@H]1CC(=O)N(Cc2ccccc2Cl)C1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000742761261 1076874921 /nfs/dbraw/zinc/87/49/21/1076874921.db2.gz HDFJJJLTAIPXIK-ZWKOTPCHSA-N 1 2 405.926 2.012 20 0 HEADLO O=C(Nc1ccn(Cc2ccccn2)n1)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000743165562 1076984017 /nfs/dbraw/zinc/98/40/17/1076984017.db2.gz YMCUEGAKUCGNFM-OAQYLSRUSA-N 1 2 420.517 2.391 20 0 HEADLO C[C@H]1CN(c2ccc(NC(=O)NC[C@]3([NH+]4CCOCC4)CCSC3)cc2)CCO1 ZINC000743174070 1076988791 /nfs/dbraw/zinc/98/87/91/1076988791.db2.gz DFMNXHSOTVXVPE-LAUBAEHRSA-N 1 2 420.579 2.241 20 0 HEADLO Cc1ccc(N2CCOC2=O)cc1NC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000743239757 1077011895 /nfs/dbraw/zinc/01/18/95/1077011895.db2.gz UQAGAQIFEGXSOI-HXUWFJFHSA-N 1 2 420.535 2.281 20 0 HEADLO CN(CC[NH+]1CCOCC1)C(=O)C[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000743328040 1077029249 /nfs/dbraw/zinc/02/92/49/1077029249.db2.gz KEWYMVMCKPXJMP-IBGZPJMESA-N 1 2 405.539 2.303 20 0 HEADLO C[C@@H]1C[C@@]2(CC(C)(C)C1)NC(=O)N(C[NH+]1CCC(c3nnc4n3CCC4)CC1)C2=O ZINC000743353984 1077030873 /nfs/dbraw/zinc/03/08/73/1077030873.db2.gz ITTKSNPKFHKOMI-NYHFZMIOSA-N 1 2 414.554 2.498 20 0 HEADLO C[C@@H]1C[N@H+](CN2C(=O)N[C@]3(CCCC[C@@H]3CNC(=O)OC(C)(C)C)C2=O)CCCO1 ZINC000743368592 1077033672 /nfs/dbraw/zinc/03/36/72/1077033672.db2.gz QJCQKHNTAOZCSV-ZOCZFRKYSA-N 1 2 424.542 2.060 20 0 HEADLO C[C@@H]1C[N@@H+](CN2C(=O)N[C@]3(CCCC[C@@H]3CNC(=O)OC(C)(C)C)C2=O)CCCO1 ZINC000743368592 1077033676 /nfs/dbraw/zinc/03/36/76/1077033676.db2.gz QJCQKHNTAOZCSV-ZOCZFRKYSA-N 1 2 424.542 2.060 20 0 HEADLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)C(=O)Nc1ccc(NC(=O)C2CC2)cc1 ZINC000743402301 1077043442 /nfs/dbraw/zinc/04/34/42/1077043442.db2.gz UTXUKVPAXZONLN-UHFFFAOYSA-N 1 2 403.442 2.476 20 0 HEADLO CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@H]1NC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000743504394 1077058759 /nfs/dbraw/zinc/05/87/59/1077058759.db2.gz DFLAIKTUOBYTGY-DLBZAZTESA-N 1 2 412.575 2.480 20 0 HEADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC000743537473 1077070250 /nfs/dbraw/zinc/07/02/50/1077070250.db2.gz PWXFPVWSMHPETL-FUHWJXTLSA-N 1 2 406.527 2.272 20 0 HEADLO COc1c(C)c[nH+]c(CNC(=O)N[C@H]2CC(=O)N(CCOc3ccccc3)C2)c1C ZINC000743574737 1077071821 /nfs/dbraw/zinc/07/18/21/1077071821.db2.gz XHEOURUQNVCCMU-KRWDZBQOSA-N 1 2 412.490 2.186 20 0 HEADLO CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000743603329 1077078878 /nfs/dbraw/zinc/07/88/78/1077078878.db2.gz ZETXSXRUYPHXOZ-HXUWFJFHSA-N 1 2 409.596 2.467 20 0 HEADLO C[C@H]1C[C@@H](c2cccc(F)c2)N(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC000743602768 1077079176 /nfs/dbraw/zinc/07/91/76/1077079176.db2.gz PTUWRBVWYTWIMU-KXBFYZLASA-N 1 2 411.543 2.427 20 0 HEADLO C[C@H](NC(=O)N[C@@H]1CCCC[C@H]1CNC(=O)OC(C)(C)C)[C@H](C)[NH+]1CCOCC1 ZINC000743627082 1077082888 /nfs/dbraw/zinc/08/28/88/1077082888.db2.gz SFXLOZKFVBDCCD-XLAORIBOSA-N 1 2 412.575 2.478 20 0 HEADLO CS(=O)(=O)c1cccc(OCC[N@@H+]2CCc3c(cccc3N3CCOC3=O)C2)c1 ZINC000743857981 1077145032 /nfs/dbraw/zinc/14/50/32/1077145032.db2.gz KESDRUVSPODHLM-UHFFFAOYSA-N 1 2 416.499 2.484 20 0 HEADLO CS(=O)(=O)c1cccc(OCC[N@H+]2CCc3c(cccc3N3CCOC3=O)C2)c1 ZINC000743857981 1077145041 /nfs/dbraw/zinc/14/50/41/1077145041.db2.gz KESDRUVSPODHLM-UHFFFAOYSA-N 1 2 416.499 2.484 20 0 HEADLO O=C(C[N@@H+]1CCc2c(cccc2N2CCOC2=O)C1)NCCN1CCc2ccccc21 ZINC000743859149 1077145819 /nfs/dbraw/zinc/14/58/19/1077145819.db2.gz VYHMWYMCDGTPJZ-UHFFFAOYSA-N 1 2 420.513 2.180 20 0 HEADLO O=C(C[N@H+]1CCc2c(cccc2N2CCOC2=O)C1)NCCN1CCc2ccccc21 ZINC000743859149 1077145837 /nfs/dbraw/zinc/14/58/37/1077145837.db2.gz VYHMWYMCDGTPJZ-UHFFFAOYSA-N 1 2 420.513 2.180 20 0 HEADLO CC[NH+](CC)Cc1nc(C2(NC(=O)c3nn(C)c(=O)c4ccccc43)CCCC2)no1 ZINC000743892299 1077203186 /nfs/dbraw/zinc/20/31/86/1077203186.db2.gz NVYPBVOMBDKMSH-UHFFFAOYSA-N 1 2 424.505 2.358 20 0 HEADLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)C(=O)Nc1cccc(N2CCCNC2=O)c1 ZINC000743899792 1077213502 /nfs/dbraw/zinc/21/35/02/1077213502.db2.gz ZBNLBSUDOSZPRW-UHFFFAOYSA-N 1 2 418.457 2.047 20 0 HEADLO Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)Nc3cccc(-n4cc[nH+]c4)c3)C2=O)cc1 ZINC000743955270 1077263512 /nfs/dbraw/zinc/26/35/12/1077263512.db2.gz IPULIRMQBXJOMW-HXUWFJFHSA-N 1 2 417.469 2.431 20 0 HEADLO COc1ccccc1OCC[N@H+](C)CN1CC2(CN(C(=O)OC(C)(C)C)C2)CC1=O ZINC000744431749 1077392259 /nfs/dbraw/zinc/39/22/59/1077392259.db2.gz BBRQPPJXVYVJCW-UHFFFAOYSA-N 1 2 419.522 2.433 20 0 HEADLO COc1ccccc1OCC[N@@H+](C)CN1CC2(CN(C(=O)OC(C)(C)C)C2)CC1=O ZINC000744431749 1077392264 /nfs/dbraw/zinc/39/22/64/1077392264.db2.gz BBRQPPJXVYVJCW-UHFFFAOYSA-N 1 2 419.522 2.433 20 0 HEADLO O=C(NCC[NH+]1Cc2ccccc2C1)c1ccc(F)c(S(=O)(=O)NC2CC2)c1 ZINC000744469665 1077405764 /nfs/dbraw/zinc/40/57/64/1077405764.db2.gz AOZLBEYFVGYCHF-UHFFFAOYSA-N 1 2 403.479 2.012 20 0 HEADLO COCCCn1c(=O)c2ccc(C(=O)N3CC[C@H]4CC[C@@H](C3)[N@@H+]4C)cc2[nH]c1=S ZINC000744658921 1077528739 /nfs/dbraw/zinc/52/87/39/1077528739.db2.gz PLFMENRNNLRMCU-CVEARBPZSA-N 1 2 416.547 2.030 20 0 HEADLO COCCCn1c(=O)c2ccc(C(=O)N3CC[C@H]4CC[C@@H](C3)[N@H+]4C)cc2[nH]c1=S ZINC000744658921 1077528742 /nfs/dbraw/zinc/52/87/42/1077528742.db2.gz PLFMENRNNLRMCU-CVEARBPZSA-N 1 2 416.547 2.030 20 0 HEADLO CCOC(=O)N1CCN(C(=O)[C@@H](C)OC(=O)[C@@H](c2ccccc2)[NH+](CC)CC)CC1 ZINC000744998246 1077700557 /nfs/dbraw/zinc/70/05/57/1077700557.db2.gz QLUBPEOVXRHGIO-IEBWSBKVSA-N 1 2 419.522 2.302 20 0 HEADLO CC[N@@H+]1CCCC[C@H]1C(=O)OCC(=O)N1CCC(NC(=O)c2ccccc2C)CC1 ZINC000745084071 1077723663 /nfs/dbraw/zinc/72/36/63/1077723663.db2.gz FTVGYLYVWVFEBY-FQEVSTJZSA-N 1 2 415.534 2.133 20 0 HEADLO CC[N@H+]1CCCC[C@H]1C(=O)OCC(=O)N1CCC(NC(=O)c2ccccc2C)CC1 ZINC000745084071 1077723669 /nfs/dbraw/zinc/72/36/69/1077723669.db2.gz FTVGYLYVWVFEBY-FQEVSTJZSA-N 1 2 415.534 2.133 20 0 HEADLO C[C@@H](OC(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1)C(=O)Nc1ncnc2[nH]cnc21 ZINC000745103895 1077732157 /nfs/dbraw/zinc/73/21/57/1077732157.db2.gz IINSOXIEIOKGJQ-GDBMZVCRSA-N 1 2 408.462 2.278 20 0 HEADLO C[C@@H](OC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1)C(=O)Nc1ncnc2[nH]cnc21 ZINC000745103895 1077732176 /nfs/dbraw/zinc/73/21/76/1077732176.db2.gz IINSOXIEIOKGJQ-GDBMZVCRSA-N 1 2 408.462 2.278 20 0 HEADLO CC[N@H+](C)[C@H](C(=O)OCCN1C(=O)c2ccccc2S1(=O)=O)c1ccccc1 ZINC000745103090 1077733250 /nfs/dbraw/zinc/73/32/50/1077733250.db2.gz ZNECXKJKTGGMHB-SFHVURJKSA-N 1 2 402.472 2.067 20 0 HEADLO CC[N@@H+](C)[C@H](C(=O)OCCN1C(=O)c2ccccc2S1(=O)=O)c1ccccc1 ZINC000745103090 1077733254 /nfs/dbraw/zinc/73/32/54/1077733254.db2.gz ZNECXKJKTGGMHB-SFHVURJKSA-N 1 2 402.472 2.067 20 0 HEADLO C[N@@H+]1CCCC[C@H]1C(=O)OCC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000745079970 1077734614 /nfs/dbraw/zinc/73/46/14/1077734614.db2.gz OEQKTZFGUOKDIX-HNNXBMFYSA-N 1 2 415.321 2.065 20 0 HEADLO C[N@H+]1CCCC[C@H]1C(=O)OCC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000745079970 1077734628 /nfs/dbraw/zinc/73/46/28/1077734628.db2.gz OEQKTZFGUOKDIX-HNNXBMFYSA-N 1 2 415.321 2.065 20 0 HEADLO Cc1cc(N2CCN(C(=O)COC(=O)[C@H](C)c3ccco3)CC2)nc(C(C)C)[nH+]1 ZINC000745129439 1077754639 /nfs/dbraw/zinc/75/46/39/1077754639.db2.gz RWRNSYXXDQMFEI-MRXNPFEDSA-N 1 2 400.479 2.497 20 0 HEADLO CCCC[C@@H]1NC(=O)N(C[NH+]2CCC(C(=O)NCCc3cccs3)CC2)C1=O ZINC000745162486 1077762334 /nfs/dbraw/zinc/76/23/34/1077762334.db2.gz ODKIIPLWMPLMHT-KRWDZBQOSA-N 1 2 406.552 2.187 20 0 HEADLO COc1ccc(C(=O)OCC(=O)NCc2ccccc2C[NH+]2CCOCC2)c(C)c1 ZINC000745341116 1077810249 /nfs/dbraw/zinc/81/02/49/1077810249.db2.gz IHYJQYIDZIACFP-UHFFFAOYSA-N 1 2 412.486 2.309 20 0 HEADLO COc1ccccc1[C@H](NC(=O)N1CCC[C@H]1C[NH+]1CCOCC1)c1nccn1C ZINC000745402195 1077818541 /nfs/dbraw/zinc/81/85/41/1077818541.db2.gz ZSJZRHAKKITLGS-PXNSSMCTSA-N 1 2 413.522 2.024 20 0 HEADLO COc1cc(C)c(C[NH+]2CCN(C(=O)COC(=O)C[C@@H](C)SC)CC2)cc1OC ZINC000766922650 1079505967 /nfs/dbraw/zinc/50/59/67/1079505967.db2.gz ZOKTWOVMBXHAJH-MRXNPFEDSA-N 1 2 424.563 2.341 20 0 HEADLO CCOC(=O)c1ccsc1NC(=O)C[N@@H+]1CCC[C@@H]1C[C@@H](O)c1cnn(C)c1 ZINC000766954224 1079519381 /nfs/dbraw/zinc/51/93/81/1079519381.db2.gz XXWYFKQBQLGVCD-GDBMZVCRSA-N 1 2 406.508 2.185 20 0 HEADLO CCOC(=O)c1ccsc1NC(=O)C[N@H+]1CCC[C@@H]1C[C@@H](O)c1cnn(C)c1 ZINC000766954224 1079519389 /nfs/dbraw/zinc/51/93/89/1079519389.db2.gz XXWYFKQBQLGVCD-GDBMZVCRSA-N 1 2 406.508 2.185 20 0 HEADLO CCc1nnc(C[N@@H+]2CCC[C@@H](CNC(=O)[C@H]3CCCN3C(=O)OC(C)(C)C)C2)[nH]1 ZINC000771769845 1079523714 /nfs/dbraw/zinc/52/37/14/1079523714.db2.gz VFBGTZHWJXIYKQ-JKSUJKDBSA-N 1 2 420.558 2.095 20 0 HEADLO CCc1nnc(C[N@H+]2CCC[C@@H](CNC(=O)[C@H]3CCCN3C(=O)OC(C)(C)C)C2)[nH]1 ZINC000771769845 1079523725 /nfs/dbraw/zinc/52/37/25/1079523725.db2.gz VFBGTZHWJXIYKQ-JKSUJKDBSA-N 1 2 420.558 2.095 20 0 HEADLO Cc1noc(C(C)C)c1C(=O)OCC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000804343463 1079545710 /nfs/dbraw/zinc/54/57/10/1079545710.db2.gz ODJMOXKXLTXEGS-UHFFFAOYSA-N 1 2 415.490 2.412 20 0 HEADLO CCOC(=O)C1C(C[N@@H+]2CCC[C@](C)(O)C2)=NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000767020974 1079595234 /nfs/dbraw/zinc/59/52/34/1079595234.db2.gz ZQFYKVHNOHZCPS-XLIONFOSSA-N 1 2 407.898 2.358 20 0 HEADLO CCOC(=O)C1C(C[N@H+]2CCC[C@](C)(O)C2)=NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000767020974 1079595254 /nfs/dbraw/zinc/59/52/54/1079595254.db2.gz ZQFYKVHNOHZCPS-XLIONFOSSA-N 1 2 407.898 2.358 20 0 HEADLO COC(=O)Nc1ccc(CNC(=O)CN2CC[NH+](Cc3cccc(F)c3)CC2)cc1 ZINC000767041285 1079626071 /nfs/dbraw/zinc/62/60/71/1079626071.db2.gz HQSQKEXYOJWOBB-UHFFFAOYSA-N 1 2 414.481 2.438 20 0 HEADLO C[C@H](CS(=O)(=O)c1ccc(Br)cc1)C(=O)OCCn1cc[nH+]c1 ZINC000771990948 1079637324 /nfs/dbraw/zinc/63/73/24/1079637324.db2.gz AHUUMXDPNNZGNQ-GFCCVEGCSA-N 1 2 401.282 2.299 20 0 HEADLO Cc1cc[nH+]c(N2CCN(CC(=O)Nc3ccccc3S(=O)(=O)C(F)F)CC2)c1 ZINC000767067347 1079638921 /nfs/dbraw/zinc/63/89/21/1079638921.db2.gz ALKAUKLKSSHGMJ-UHFFFAOYSA-N 1 2 424.473 2.147 20 0 HEADLO CC(=O)N[C@H](Cc1c[nH]c2ccc(Br)cc12)C(=O)OCCn1cc[nH+]c1 ZINC000771976423 1079655617 /nfs/dbraw/zinc/65/56/17/1079655617.db2.gz SBQKKCRYFDEDSD-QGZVFWFLSA-N 1 2 419.279 2.418 20 0 HEADLO CCN(CC)C(=O)c1cccc(NC(=O)COC(=O)C[N@H+](C)[C@H]2CCSC2)c1 ZINC000772044328 1079666224 /nfs/dbraw/zinc/66/62/24/1079666224.db2.gz HEEFMWPJZARSNU-KRWDZBQOSA-N 1 2 407.536 2.088 20 0 HEADLO CCN(CC)C(=O)c1cccc(NC(=O)COC(=O)C[N@@H+](C)[C@H]2CCSC2)c1 ZINC000772044328 1079666227 /nfs/dbraw/zinc/66/62/27/1079666227.db2.gz HEEFMWPJZARSNU-KRWDZBQOSA-N 1 2 407.536 2.088 20 0 HEADLO C[N@H+](CC(=O)O[C@@H](C(N)=O)c1ccc(Br)cc1F)[C@@H]1CCSC1 ZINC000767112752 1079666431 /nfs/dbraw/zinc/66/64/31/1079666431.db2.gz RWRSFDKFTFHOIN-QMTHXVAHSA-N 1 2 405.289 2.095 20 0 HEADLO C[N@@H+](CC(=O)O[C@@H](C(N)=O)c1ccc(Br)cc1F)[C@@H]1CCSC1 ZINC000767112752 1079666434 /nfs/dbraw/zinc/66/64/34/1079666434.db2.gz RWRSFDKFTFHOIN-QMTHXVAHSA-N 1 2 405.289 2.095 20 0 HEADLO CN(Cc1ccccc1Br)C(=O)COC(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000772050771 1079671487 /nfs/dbraw/zinc/67/14/87/1079671487.db2.gz YEYDVIFRJUZSIH-AWEZNQCLSA-N 1 2 415.353 2.388 20 0 HEADLO CN(Cc1ccccc1Br)C(=O)COC(=O)C[N@@H+](C)[C@H]1CCSC1 ZINC000772050771 1079671491 /nfs/dbraw/zinc/67/14/91/1079671491.db2.gz YEYDVIFRJUZSIH-AWEZNQCLSA-N 1 2 415.353 2.388 20 0 HEADLO CCOC(=O)c1c(C)c(C)sc1NC(=O)COC(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000772058357 1079677246 /nfs/dbraw/zinc/67/72/46/1079677246.db2.gz FKVLNBFLCKKQSZ-ZDUSSCGKSA-N 1 2 414.549 2.461 20 0 HEADLO CCOC(=O)c1c(C)c(C)sc1NC(=O)COC(=O)C[N@@H+](C)[C@H]1CCSC1 ZINC000772058357 1079677251 /nfs/dbraw/zinc/67/72/51/1079677251.db2.gz FKVLNBFLCKKQSZ-ZDUSSCGKSA-N 1 2 414.549 2.461 20 0 HEADLO C[C@@H](NC(=O)[C@H](C)OC(=O)C[N@H+](C)[C@H]1CCSC1)c1ccc2c(c1)OCCO2 ZINC000767118620 1079686645 /nfs/dbraw/zinc/68/66/45/1079686645.db2.gz XEOAMXGKAIQNAC-YCPHGPKFSA-N 1 2 408.520 2.004 20 0 HEADLO C[C@@H](NC(=O)[C@H](C)OC(=O)C[N@@H+](C)[C@H]1CCSC1)c1ccc2c(c1)OCCO2 ZINC000767118620 1079686652 /nfs/dbraw/zinc/68/66/52/1079686652.db2.gz XEOAMXGKAIQNAC-YCPHGPKFSA-N 1 2 408.520 2.004 20 0 HEADLO C[N@H+](CC(=O)OCC(=O)N1CCC(OCc2ccccc2)CC1)[C@@H]1CCSC1 ZINC000772060992 1079703889 /nfs/dbraw/zinc/70/38/89/1079703889.db2.gz LPHLRXLGMQGQII-GOSISDBHSA-N 1 2 406.548 2.175 20 0 HEADLO C[N@@H+](CC(=O)OCC(=O)N1CCC(OCc2ccccc2)CC1)[C@@H]1CCSC1 ZINC000772060992 1079703897 /nfs/dbraw/zinc/70/38/97/1079703897.db2.gz LPHLRXLGMQGQII-GOSISDBHSA-N 1 2 406.548 2.175 20 0 HEADLO CCOc1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(Oc2ccnc(C(N)=O)c2)CC1 ZINC000772326345 1079821993 /nfs/dbraw/zinc/82/19/93/1079821993.db2.gz CJBZMUVCRAGNCB-OAHLLOKOSA-N 1 2 412.490 2.450 20 0 HEADLO Cc1ccc(F)cc1NC(=O)[C@@H](C)[NH+]1CCC(Oc2ccnc(C(N)=O)c2)CC1 ZINC000772346682 1079835353 /nfs/dbraw/zinc/83/53/53/1079835353.db2.gz QFPLBKBYWRQDAI-CQSZACIVSA-N 1 2 400.454 2.498 20 0 HEADLO CC[C@@H](C(=O)OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)n1nnc(-c2ccc(Cl)cc2)n1 ZINC000767470863 1079871248 /nfs/dbraw/zinc/87/12/48/1079871248.db2.gz OAWRSOQFMGSVJF-BBWFWOEESA-N 1 2 405.886 2.351 20 0 HEADLO CC[C@@H](C(=O)OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)n1nnc(-c2ccc(Cl)cc2)n1 ZINC000767470863 1079871253 /nfs/dbraw/zinc/87/12/53/1079871253.db2.gz OAWRSOQFMGSVJF-BBWFWOEESA-N 1 2 405.886 2.351 20 0 HEADLO CO[C@H](CNC(=O)OC(C)(C)C)CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000767459345 1079884511 /nfs/dbraw/zinc/88/45/11/1079884511.db2.gz ZXDXSOXEJXAWGQ-SFHVURJKSA-N 1 2 407.511 2.387 20 0 HEADLO C[C@H]1CC[N@@H+]([C@@H]2C[C@@H](C(=O)N3CCSC3)N(C(=O)OC(C)(C)C)C2)CCC1=O ZINC001170044563 1079925742 /nfs/dbraw/zinc/92/57/42/1079925742.db2.gz QXFUYFMHFFVMGC-XHSDSOJGSA-N 1 2 411.568 2.198 20 0 HEADLO C[C@H]1CC[N@H+]([C@@H]2C[C@@H](C(=O)N3CCSC3)N(C(=O)OC(C)(C)C)C2)CCC1=O ZINC001170044563 1079925747 /nfs/dbraw/zinc/92/57/47/1079925747.db2.gz QXFUYFMHFFVMGC-XHSDSOJGSA-N 1 2 411.568 2.198 20 0 HEADLO CCN(C(=O)COC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccccc1 ZINC000767538108 1079940348 /nfs/dbraw/zinc/94/03/48/1079940348.db2.gz KQDJMAITQOUKAD-UHFFFAOYSA-N 1 2 424.501 2.107 20 0 HEADLO O=C(CCC(=O)N1CCN(c2cccc[nH+]2)CC1)OCC(=O)c1c[nH]c2ccccc21 ZINC000767539616 1079942839 /nfs/dbraw/zinc/94/28/39/1079942839.db2.gz STZBQBPBZMMQOJ-UHFFFAOYSA-N 1 2 420.469 2.418 20 0 HEADLO Cc1ccn(CC(=O)Nc2ccc(N3CC[NH+](C)CC3)c(Br)c2)c(=O)c1 ZINC000772622224 1079984543 /nfs/dbraw/zinc/98/45/43/1079984543.db2.gz SSSZUTVZWCOREJ-UHFFFAOYSA-N 1 2 419.323 2.310 20 0 HEADLO Cc1ccc(S(=O)(=O)N[C@H](CC[N@@H+]2CCOC[C@H]2CCO)c2ccccc2)cc1 ZINC000767597782 1079996320 /nfs/dbraw/zinc/99/63/20/1079996320.db2.gz IAHRLZOAAYMCKB-IFMALSPDSA-N 1 2 418.559 2.488 20 0 HEADLO Cc1ccc(S(=O)(=O)N[C@H](CC[N@H+]2CCOC[C@H]2CCO)c2ccccc2)cc1 ZINC000767597782 1079996346 /nfs/dbraw/zinc/99/63/46/1079996346.db2.gz IAHRLZOAAYMCKB-IFMALSPDSA-N 1 2 418.559 2.488 20 0 HEADLO Cn1cc[nH+]c1[C@@H]1CCCN(S(=O)(=O)c2cc(S(C)(=O)=O)sc2Cl)C1 ZINC000767655909 1080023021 /nfs/dbraw/zinc/02/30/21/1080023021.db2.gz SMMRCPATWKFKBP-SNVBAGLBSA-N 1 2 423.969 2.107 20 0 HEADLO CC(C)(C)OC(=O)NCCCOC1CC[NH+](Cn2cc3[nH]cccc-3c2=O)CC1 ZINC000785507099 1080026517 /nfs/dbraw/zinc/02/65/17/1080026517.db2.gz ZCGWJEUUHFABJA-UHFFFAOYSA-N 1 2 404.511 2.391 20 0 HEADLO CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000767702670 1080031817 /nfs/dbraw/zinc/03/18/17/1080031817.db2.gz BMZAMROMJIZLIM-PMACEKPBSA-N 1 2 403.523 2.261 20 0 HEADLO COc1cc(S(=O)(=O)N2CCC[C@@H]2C[NH+]2C[C@H](C)O[C@@H](C)C2)cnc1Cl ZINC000767730672 1080057798 /nfs/dbraw/zinc/05/77/98/1080057798.db2.gz ZLZXLUOCUGWLEZ-MELADBBJSA-N 1 2 403.932 2.006 20 0 HEADLO CCN(C(=O)C[NH+]1CCN(c2ccc(NS(C)(=O)=O)cc2)CC1)c1ccccc1 ZINC000767747963 1080066023 /nfs/dbraw/zinc/06/60/23/1080066023.db2.gz RDRKSHFSENHBIX-UHFFFAOYSA-N 1 2 416.547 2.233 20 0 HEADLO C[C@@H]1CCCC[C@H]1N(C)C(=O)C[NH+]1CCN(c2ccc(NS(C)(=O)=O)cc2)CC1 ZINC000767749162 1080066507 /nfs/dbraw/zinc/06/65/07/1080066507.db2.gz IDDXEOMBIWLIPR-YLJYHZDGSA-N 1 2 422.595 2.217 20 0 HEADLO O=C(COC(=O)c1cc(F)cnc1Cl)NCc1ccccc1C[NH+]1CCOCC1 ZINC000767754124 1080071073 /nfs/dbraw/zinc/07/10/73/1080071073.db2.gz RSDMUNYWHPCDBD-UHFFFAOYSA-N 1 2 421.856 2.180 20 0 HEADLO CC[C@]1(c2ccc(OC)cc2)NC(=O)N(C[N@@H+]2CCS[C@H]3COCC[C@H]32)C1=O ZINC000767784071 1080091229 /nfs/dbraw/zinc/09/12/29/1080091229.db2.gz BBKMVIIESAMYAI-FUHIMQAGSA-N 1 2 405.520 2.016 20 0 HEADLO CC[C@]1(c2ccc(OC)cc2)NC(=O)N(C[N@H+]2CCS[C@H]3COCC[C@H]32)C1=O ZINC000767784071 1080091235 /nfs/dbraw/zinc/09/12/35/1080091235.db2.gz BBKMVIIESAMYAI-FUHIMQAGSA-N 1 2 405.520 2.016 20 0 HEADLO COc1cc(S(=O)(=O)N[C@@H](C)C[NH+]2CCN(c3ccccc3)CC2)cnc1Cl ZINC000767792378 1080096850 /nfs/dbraw/zinc/09/68/50/1080096850.db2.gz MLZDONQQKLWTEC-HNNXBMFYSA-N 1 2 424.954 2.233 20 0 HEADLO O=C(OCCSc1ccc(Cl)cc1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000785653049 1080109724 /nfs/dbraw/zinc/10/97/24/1080109724.db2.gz AAGQTYYCVYQGNO-OAHLLOKOSA-N 1 2 412.939 2.156 20 0 HEADLO COc1cc(S(=O)(=O)N[C@@H](C)C2([NH+]3CCOCC3)CCCC2)cnc1Cl ZINC000767822294 1080131438 /nfs/dbraw/zinc/13/14/38/1080131438.db2.gz MOHCWLBHYYHDER-ZDUSSCGKSA-N 1 2 403.932 2.055 20 0 HEADLO O=C(OCc1csc(C2CCCC2)n1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000785660398 1080180913 /nfs/dbraw/zinc/18/09/13/1080180913.db2.gz GBJDPVHURYFADD-INIZCTEOSA-N 1 2 407.536 2.025 20 0 HEADLO O=C(OCc1csc(-c2cccs2)n1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000785662499 1080184070 /nfs/dbraw/zinc/18/40/70/1080184070.db2.gz XZFHCLDJMSNKQK-AWEZNQCLSA-N 1 2 421.544 2.096 20 0 HEADLO C[C@@H](CCSc1ccccc1)OC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000785664489 1080185983 /nfs/dbraw/zinc/18/59/83/1080185983.db2.gz SSHBWNYGFQGBJQ-ZWKOTPCHSA-N 1 2 406.548 2.281 20 0 HEADLO CC(C)(C)OC(=O)N1C[C@@H]([N@@H+]2CCCCC23COC3)C[C@H]1C(=O)N1CCSC1 ZINC001170049230 1080187227 /nfs/dbraw/zinc/18/72/27/1080187227.db2.gz YQMZSVOSAZFBMN-HOTGVXAUSA-N 1 2 411.568 2.152 20 0 HEADLO CC(C)(C)OC(=O)N1C[C@@H]([N@H+]2CCCCC23COC3)C[C@H]1C(=O)N1CCSC1 ZINC001170049230 1080187235 /nfs/dbraw/zinc/18/72/35/1080187235.db2.gz YQMZSVOSAZFBMN-HOTGVXAUSA-N 1 2 411.568 2.152 20 0 HEADLO Cc1cc(C(=O)COC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)c(C)n1[C@H]1CCS(=O)(=O)C1 ZINC000785742390 1080211127 /nfs/dbraw/zinc/21/11/27/1080211127.db2.gz HWFHMPXMIYEONG-VBQJREDUSA-N 1 2 410.536 2.063 20 0 HEADLO Cc1cc(C(=O)COC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)c(C)n1[C@H]1CCS(=O)(=O)C1 ZINC000785742390 1080211134 /nfs/dbraw/zinc/21/11/34/1080211134.db2.gz HWFHMPXMIYEONG-VBQJREDUSA-N 1 2 410.536 2.063 20 0 HEADLO O=C(C[N@@H+]1CCS[C@@H]2COCC[C@@H]21)Nc1ccccc1C(=O)NCc1ccco1 ZINC000767910574 1080223811 /nfs/dbraw/zinc/22/38/11/1080223811.db2.gz FNJPDVPJGICZIN-RBUKOAKNSA-N 1 2 415.515 2.354 20 0 HEADLO O=C(C[N@H+]1CCS[C@@H]2COCC[C@@H]21)Nc1ccccc1C(=O)NCc1ccco1 ZINC000767910574 1080223822 /nfs/dbraw/zinc/22/38/22/1080223822.db2.gz FNJPDVPJGICZIN-RBUKOAKNSA-N 1 2 415.515 2.354 20 0 HEADLO CCOC(=O)C1C(C[N@@H+]2CCS[C@@H]3COCC[C@H]32)=NC(=O)N[C@@H]1c1ccccc1 ZINC000767911220 1080224571 /nfs/dbraw/zinc/22/45/71/1080224571.db2.gz HVZGFZMMHKXVDL-ZHALLVOQSA-N 1 2 417.531 2.064 20 0 HEADLO CCOC(=O)C1C(C[N@H+]2CCS[C@@H]3COCC[C@H]32)=NC(=O)N[C@@H]1c1ccccc1 ZINC000767911220 1080224577 /nfs/dbraw/zinc/22/45/77/1080224577.db2.gz HVZGFZMMHKXVDL-ZHALLVOQSA-N 1 2 417.531 2.064 20 0 HEADLO CCOC(=O)C1=C(C[N@@H+]2CCS[C@@H]3COCC[C@H]32)NC(=O)N[C@@H]1c1ccccc1 ZINC000767911220 1080224582 /nfs/dbraw/zinc/22/45/82/1080224582.db2.gz HVZGFZMMHKXVDL-ZHALLVOQSA-N 1 2 417.531 2.064 20 0 HEADLO CCOC(=O)C1=C(C[N@H+]2CCS[C@@H]3COCC[C@H]32)NC(=O)N[C@@H]1c1ccccc1 ZINC000767911220 1080224587 /nfs/dbraw/zinc/22/45/87/1080224587.db2.gz HVZGFZMMHKXVDL-ZHALLVOQSA-N 1 2 417.531 2.064 20 0 HEADLO CCn1ncnc1C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000785768723 1080239658 /nfs/dbraw/zinc/23/96/58/1080239658.db2.gz PRLKVCNRUMFWCC-SJORKVTESA-N 1 2 420.558 2.026 20 0 HEADLO CCn1ncnc1C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000785768723 1080239668 /nfs/dbraw/zinc/23/96/68/1080239668.db2.gz PRLKVCNRUMFWCC-SJORKVTESA-N 1 2 420.558 2.026 20 0 HEADLO CS(=O)(=O)c1cc(C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)ccc1F ZINC000785838824 1080266379 /nfs/dbraw/zinc/26/63/79/1080266379.db2.gz DBQVYKXMTHLEDL-UHFFFAOYSA-N 1 2 419.522 2.171 20 0 HEADLO O=C(Nc1cnc(Cl)c(Br)c1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000768012487 1080281632 /nfs/dbraw/zinc/28/16/32/1080281632.db2.gz UVDQCGVLUFSFBE-UHFFFAOYSA-N 1 2 424.686 2.180 20 0 HEADLO CC(C)(C)OC(=O)N[C@](C)(C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1)c1ccccc1 ZINC000768029839 1080293664 /nfs/dbraw/zinc/29/36/64/1080293664.db2.gz DMPMOLGNGOTINC-GCJKJVERSA-N 1 2 403.523 2.360 20 0 HEADLO CC(C)(C)OC(=O)N1C[C@H]([N@@H+]2CCOCC23CCC3)C[C@H]1C(=O)N1CCSC1 ZINC001170053805 1080351766 /nfs/dbraw/zinc/35/17/66/1080351766.db2.gz WULNDLJDOYRUFV-CVEARBPZSA-N 1 2 411.568 2.152 20 0 HEADLO CC(C)(C)OC(=O)N1C[C@H]([N@H+]2CCOCC23CCC3)C[C@H]1C(=O)N1CCSC1 ZINC001170053805 1080351771 /nfs/dbraw/zinc/35/17/71/1080351771.db2.gz WULNDLJDOYRUFV-CVEARBPZSA-N 1 2 411.568 2.152 20 0 HEADLO CC(=O)N1CCC([NH+]2CCN(S(=O)(=O)c3cccc(Cl)c3Cl)CC2)CC1 ZINC000768154892 1080372957 /nfs/dbraw/zinc/37/29/57/1080372957.db2.gz UPWDVBXPMWJHND-UHFFFAOYSA-N 1 2 420.362 2.311 20 0 HEADLO CN(CCCn1cc[nH+]c1)C(=O)C(=O)Nc1cnc(Cl)c(Br)c1 ZINC000768196092 1080412953 /nfs/dbraw/zinc/41/29/53/1080412953.db2.gz FGWZNIQPVVKNCV-UHFFFAOYSA-N 1 2 400.664 2.181 20 0 HEADLO Cc1ccc(-n2cc(NC(=O)NC3CC[NH+](CCS(C)(=O)=O)CC3)cn2)c(C)c1 ZINC000786205199 1080472109 /nfs/dbraw/zinc/47/21/09/1080472109.db2.gz GVTPBGBVOUFJCD-UHFFFAOYSA-N 1 2 419.551 2.120 20 0 HEADLO CC(C)(C)OC(=O)NCCN(CCO)C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000768280470 1080482406 /nfs/dbraw/zinc/48/24/06/1080482406.db2.gz STOJOEFMKYOSKD-UHFFFAOYSA-N 1 2 421.473 2.040 20 0 HEADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)c1ccc(-n2cnc3ccccc32)nc1 ZINC000768392349 1080539783 /nfs/dbraw/zinc/53/97/83/1080539783.db2.gz KHONBOYXBNNXSG-UHFFFAOYSA-N 1 2 417.473 2.202 20 0 HEADLO C[C@H](OC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)C(=O)NCC(=O)c1ccccc1 ZINC000786304857 1080546243 /nfs/dbraw/zinc/54/62/43/1080546243.db2.gz ZWFBCZOPSRSZCU-GHTZIAJQSA-N 1 2 424.497 2.208 20 0 HEADLO C[C@H](OC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)C(=O)NCC(=O)c1ccccc1 ZINC000786304857 1080546255 /nfs/dbraw/zinc/54/62/55/1080546255.db2.gz ZWFBCZOPSRSZCU-GHTZIAJQSA-N 1 2 424.497 2.208 20 0 HEADLO CCc1ccc([C@@]2(CC)NC(=O)N(C[NH+]3CCC(NC(=O)C4CC4)CC3)C2=O)cc1 ZINC000768483630 1080577890 /nfs/dbraw/zinc/57/78/90/1080577890.db2.gz PXCWZBVHXVUMBS-HSZRJFAPSA-N 1 2 412.534 2.354 20 0 HEADLO COC(=O)c1cccc(N2CC(=O)N(C[NH+]3CCC(c4cccnc4)CC3)C2=O)c1 ZINC000768468163 1080586507 /nfs/dbraw/zinc/58/65/07/1080586507.db2.gz KLMWUJXBMXVNOD-UHFFFAOYSA-N 1 2 408.458 2.474 20 0 HEADLO COC(=O)c1cccc(NC(=O)N2CC[N@H+](C)C[C@H]2CNC(=O)OC(C)(C)C)c1 ZINC000768497626 1080593372 /nfs/dbraw/zinc/59/33/72/1080593372.db2.gz JGTKCMOMMRQBTI-MRXNPFEDSA-N 1 2 406.483 2.146 20 0 HEADLO COC(=O)c1cccc(NC(=O)N2CC[N@@H+](C)C[C@H]2CNC(=O)OC(C)(C)C)c1 ZINC000768497626 1080593380 /nfs/dbraw/zinc/59/33/80/1080593380.db2.gz JGTKCMOMMRQBTI-MRXNPFEDSA-N 1 2 406.483 2.146 20 0 HEADLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)C(=O)N[C@H]1CCc2ccccc2OC1 ZINC000786469783 1080613108 /nfs/dbraw/zinc/61/31/08/1080613108.db2.gz YPDOHIIQAHWLJM-IBGZPJMESA-N 1 2 408.502 2.198 20 0 HEADLO COC(=O)c1cc(S(=O)(=O)N2C[C@H](C)[N@H+](C)C[C@@H]2C)c(Br)cc1F ZINC000768563992 1080632983 /nfs/dbraw/zinc/63/29/83/1080632983.db2.gz VPVWRLLMUSVXLX-UWVGGRQHSA-N 1 2 423.304 2.088 20 0 HEADLO COC(=O)c1cc(S(=O)(=O)N2C[C@H](C)[N@@H+](C)C[C@@H]2C)c(Br)cc1F ZINC000768563992 1080632987 /nfs/dbraw/zinc/63/29/87/1080632987.db2.gz VPVWRLLMUSVXLX-UWVGGRQHSA-N 1 2 423.304 2.088 20 0 HEADLO CC(C)(C)OC(=O)N1CCN(c2ncc(NC(=O)CCCn3cc[nH+]c3)cn2)CC1 ZINC000786665057 1080749224 /nfs/dbraw/zinc/74/92/24/1080749224.db2.gz IGHWLZLZICNYEA-UHFFFAOYSA-N 1 2 415.498 2.149 20 0 HEADLO CN(C)c1ccc([NH+]2CCC(NC(=O)C(=O)NCc3ccc(F)c(F)c3)CC2)cc1 ZINC000786681777 1080755816 /nfs/dbraw/zinc/75/58/16/1080755816.db2.gz DLUMLPSYUPSCKJ-UHFFFAOYSA-N 1 2 416.472 2.432 20 0 HEADLO Cc1ccc(Br)nc1C(=O)N1CC[NH+](Cc2ccc(C(N)=O)cc2)CC1 ZINC000786777549 1080818112 /nfs/dbraw/zinc/81/81/12/1080818112.db2.gz JXSPZFNTYMMAKA-UHFFFAOYSA-N 1 2 417.307 2.209 20 0 HEADLO COC(=O)[C@](C)(NC(=O)[C@H]1CCc2[nH+]ccn2C1)c1cccc(Br)c1 ZINC000786933984 1080898124 /nfs/dbraw/zinc/89/81/24/1080898124.db2.gz FECCLWNURVXGDW-KPZWWZAWSA-N 1 2 406.280 2.413 20 0 HEADLO CC(C)CCc1nc(COC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)cs1 ZINC000787003560 1080917573 /nfs/dbraw/zinc/91/75/73/1080917573.db2.gz YHEVIHKJKJAXID-SFHVURJKSA-N 1 2 423.579 2.488 20 0 HEADLO O=C(NCCc1ccccc1OC(F)F)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000787007704 1080922647 /nfs/dbraw/zinc/92/26/47/1080922647.db2.gz VFWNRCFXYLCRQZ-UHFFFAOYSA-N 1 2 414.412 2.449 20 0 HEADLO O=C(NCc1nc(-c2ccccc2)n[nH]1)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000769121771 1080943131 /nfs/dbraw/zinc/94/31/31/1080943131.db2.gz TWWSMQPQSZNUMK-UXHICEINSA-N 1 2 420.517 2.154 20 0 HEADLO O=C(NCc1nc(-c2ccccc2)n[nH]1)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000769121771 1080943146 /nfs/dbraw/zinc/94/31/46/1080943146.db2.gz TWWSMQPQSZNUMK-UXHICEINSA-N 1 2 420.517 2.154 20 0 HEADLO Cc1cnc(CC(=O)OCC(=O)N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)s1 ZINC000787019732 1080950400 /nfs/dbraw/zinc/95/04/00/1080950400.db2.gz VRUCBIIVZASIRC-UHFFFAOYSA-N 1 2 417.535 2.108 20 0 HEADLO COc1c(C)c[nH+]c(CNC(=O)C(=O)NCCc2ccc(Br)cc2)c1C ZINC000787045034 1080968218 /nfs/dbraw/zinc/96/82/18/1080968218.db2.gz IZWQHBHNNMFKQG-UHFFFAOYSA-N 1 2 420.307 2.445 20 0 HEADLO COC(=O)c1ccc(F)c(NC(=O)N2CC[N@H+](C)C[C@@H]2CNC(=O)OC(C)(C)C)c1 ZINC000769240603 1081012767 /nfs/dbraw/zinc/01/27/67/1081012767.db2.gz YSKSTLCRXYEQEF-AWEZNQCLSA-N 1 2 424.473 2.285 20 0 HEADLO COC(=O)c1ccc(F)c(NC(=O)N2CC[N@@H+](C)C[C@@H]2CNC(=O)OC(C)(C)C)c1 ZINC000769240603 1081012777 /nfs/dbraw/zinc/01/27/77/1081012777.db2.gz YSKSTLCRXYEQEF-AWEZNQCLSA-N 1 2 424.473 2.285 20 0 HEADLO Cc1cccn2cc(CCNC(=O)CCc3c(C)[nH]c4nn(C)c(=O)c-4c3C)[nH+]c12 ZINC000746639646 1081020849 /nfs/dbraw/zinc/02/08/49/1081020849.db2.gz HHFKCCKPQHDJOD-UHFFFAOYSA-N 1 2 406.490 2.126 20 0 HEADLO CC(C)(C)OC(=O)N1CC[C@@H]([NH+]2CCN(CC(=O)N3CCc4ccccc43)CC2)C1 ZINC000769297599 1081033135 /nfs/dbraw/zinc/03/31/35/1081033135.db2.gz DJDZMZCBMXNWCL-LJQANCHMSA-N 1 2 414.550 2.203 20 0 HEADLO CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCN(C(=O)CN3CCc4ccccc43)CC2)C1 ZINC000769299534 1081034472 /nfs/dbraw/zinc/03/44/72/1081034472.db2.gz QXIRBNXCKREODN-IBGZPJMESA-N 1 2 414.550 2.203 20 0 HEADLO Cc1cccnc1C(F)(F)C(=O)OCC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000787208833 1081062718 /nfs/dbraw/zinc/06/27/18/1081062718.db2.gz LVXSZGDRWVBEDQ-UHFFFAOYSA-N 1 2 409.458 2.431 20 0 HEADLO Cc1ccc([C@@H]2C[C@H](C)N(C(=O)NC3CC[NH+](CCS(C)(=O)=O)CC3)C2)cc1 ZINC000787210730 1081064167 /nfs/dbraw/zinc/06/41/67/1081064167.db2.gz JYJBAOKVCWLCHB-PKOBYXMFSA-N 1 2 407.580 2.391 20 0 HEADLO COc1ccc(CN2CC[NH+](CC[S@@](C)=O)CC2)cc1OCc1cccnc1 ZINC000769480773 1081078057 /nfs/dbraw/zinc/07/80/57/1081078057.db2.gz PEYSPCIHKKAUJV-MUUNZHRXSA-N 1 2 403.548 2.165 20 0 HEADLO Cc1ccc(S(=O)(=O)N[C@@H](CC[N@@H+](C)CCS(C)(=O)=O)c2ccccc2)cc1 ZINC000746666488 1081096496 /nfs/dbraw/zinc/09/64/96/1081096496.db2.gz OFCDTYHTPQNGBD-FQEVSTJZSA-N 1 2 424.588 2.381 20 0 HEADLO Cc1ccc(S(=O)(=O)N[C@@H](CC[N@H+](C)CCS(C)(=O)=O)c2ccccc2)cc1 ZINC000746666488 1081096505 /nfs/dbraw/zinc/09/65/05/1081096505.db2.gz OFCDTYHTPQNGBD-FQEVSTJZSA-N 1 2 424.588 2.381 20 0 HEADLO C[C@H](CNC(=O)OC(C)(C)C)NC(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000769511056 1081102507 /nfs/dbraw/zinc/10/25/07/1081102507.db2.gz WQWCXSVXJAJANB-IEBWSBKVSA-N 1 2 420.554 2.142 20 0 HEADLO CC[C@@H]1C[N@H+](CC(=O)Nc2cccc(C(=O)OC)n2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000787271241 1081102967 /nfs/dbraw/zinc/10/29/67/1081102967.db2.gz QDPGCIJFLRBDLT-CABCVRRESA-N 1 2 420.510 2.432 20 0 HEADLO CC[C@@H]1C[N@@H+](CC(=O)Nc2cccc(C(=O)OC)n2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000787271241 1081102969 /nfs/dbraw/zinc/10/29/69/1081102969.db2.gz QDPGCIJFLRBDLT-CABCVRRESA-N 1 2 420.510 2.432 20 0 HEADLO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[N@@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000769518791 1081105407 /nfs/dbraw/zinc/10/54/07/1081105407.db2.gz DETTXEXQKLWHDE-HZPDHXFCSA-N 1 2 401.960 2.453 20 0 HEADLO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[N@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000769518791 1081105410 /nfs/dbraw/zinc/10/54/10/1081105410.db2.gz DETTXEXQKLWHDE-HZPDHXFCSA-N 1 2 401.960 2.453 20 0 HEADLO CCOc1cc(C[N@H+](C)CC(C)(C)S(C)(=O)=O)ccc1O[C@@H](C)C(=O)N(C)C ZINC000769519079 1081105441 /nfs/dbraw/zinc/10/54/41/1081105441.db2.gz JERILFCOKUMAQO-HNNXBMFYSA-N 1 2 414.568 2.196 20 0 HEADLO CCOc1cc(C[N@@H+](C)CC(C)(C)S(C)(=O)=O)ccc1O[C@@H](C)C(=O)N(C)C ZINC000769519079 1081105443 /nfs/dbraw/zinc/10/54/43/1081105443.db2.gz JERILFCOKUMAQO-HNNXBMFYSA-N 1 2 414.568 2.196 20 0 HEADLO O=C(c1nccn2c(Br)cnc12)N1CC[NH+](Cc2ccccc2)CC1 ZINC000769569414 1081128639 /nfs/dbraw/zinc/12/86/39/1081128639.db2.gz FISCYZIQGMFMDF-UHFFFAOYSA-N 1 2 400.280 2.450 20 0 HEADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cncc(C(N)=O)n1)CC2 ZINC001164663061 719349039 /nfs/dbraw/zinc/34/90/39/719349039.db2.gz CGJQUVJFLYXIJK-UHFFFAOYSA-N 1 2 417.517 2.270 20 0 HEADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cncc(C(N)=O)n1)CC2 ZINC001164663061 719349042 /nfs/dbraw/zinc/34/90/42/719349042.db2.gz CGJQUVJFLYXIJK-UHFFFAOYSA-N 1 2 417.517 2.270 20 0 HEADLO COC(=O)c1cc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)ncc1N ZINC001164671028 719502791 /nfs/dbraw/zinc/50/27/91/719502791.db2.gz AYDXKRIEPMPBSR-UHFFFAOYSA-N 1 2 414.481 2.461 20 0 HEADLO COC(=O)c1cc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)ncc1N ZINC001164671028 719502794 /nfs/dbraw/zinc/50/27/94/719502794.db2.gz AYDXKRIEPMPBSR-UHFFFAOYSA-N 1 2 414.481 2.461 20 0 HEADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc(Cl)nc(SC)n1 ZINC001164699906 719839202 /nfs/dbraw/zinc/83/92/02/719839202.db2.gz ISRUPFMREYVGNA-SJKOYZFVSA-N 1 2 400.932 2.085 20 0 HEADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(Cl)nc2c1SCC2 ZINC001164698621 719849831 /nfs/dbraw/zinc/84/98/31/719849831.db2.gz GGKBXKWEDCUGAZ-XIKOKIGWSA-N 1 2 412.943 2.011 20 0 HEADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1[C@@H](F)Oc1ccc(Cl)nc1 ZINC001164700659 719854513 /nfs/dbraw/zinc/85/45/13/719854513.db2.gz ISEFPYRZPZZIPR-VHSSKADRSA-N 1 2 401.866 2.095 20 0 HEADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1[C@@H](F)Oc1cccc(Cl)n1 ZINC001164698405 719854666 /nfs/dbraw/zinc/85/46/66/719854666.db2.gz BZUOGBFUAXUSJC-XWIAVFTESA-N 1 2 401.866 2.095 20 0 HEADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(F)(F)c1cnc(Cl)cc1N ZINC001164702567 719856406 /nfs/dbraw/zinc/85/64/06/719856406.db2.gz NYKSGAOSIGVXDH-SJCJKPOMSA-N 1 2 418.872 2.095 20 0 HEADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cncc(N2CCCCCC2)n1 ZINC001164699095 719873797 /nfs/dbraw/zinc/87/37/97/719873797.db2.gz ADKCDVBBDDJGHO-AVRDEDQJSA-N 1 2 417.554 2.090 20 0 HEADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc(COC2CCC2)cn1 ZINC001164708438 719875718 /nfs/dbraw/zinc/87/57/18/719875718.db2.gz ZFCVHHCRASYBCY-PGRDOPGGSA-N 1 2 403.523 2.383 20 0 HEADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc(-c2ccsc2)nn1 ZINC001164707444 719875730 /nfs/dbraw/zinc/87/57/30/719875730.db2.gz SPKNOYNRUMJERR-OXJNMPFZSA-N 1 2 402.520 2.438 20 0 HEADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cncc(OCC2CCCC2)n1 ZINC001164707998 719877795 /nfs/dbraw/zinc/87/77/95/719877795.db2.gz XDCALPBOLXKHIM-PGRDOPGGSA-N 1 2 418.538 2.278 20 0 HEADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1c(Cl)ccnc1Cl)CC2 ZINC001164709519 719905668 /nfs/dbraw/zinc/90/56/68/719905668.db2.gz XULDYEDRCQQSQZ-UHFFFAOYSA-N 1 2 409.321 2.072 20 0 HEADLO Cc1cccc2c1cc[nH+]c2N1CCc2c(C(=O)N3CCN(C)CC3)nn(C)c2C1 ZINC001164708670 719909650 /nfs/dbraw/zinc/90/96/50/719909650.db2.gz GFUBVXJIWYASKH-UHFFFAOYSA-N 1 2 404.518 2.227 20 0 HEADLO COc1cc(C)c[nH+]c1N1CCC2(CC1)C(=O)N(Cc1csc(C)n1)CCN2C ZINC001164820721 720375812 /nfs/dbraw/zinc/37/58/12/720375812.db2.gz RBERDKCVDYCSBZ-UHFFFAOYSA-N 1 2 415.563 2.477 20 0 HEADLO COc1cc(C)cnc1N1CCC2(CC1)C(=O)N(Cc1csc(C)n1)CC[N@H+]2C ZINC001164820721 720375819 /nfs/dbraw/zinc/37/58/19/720375819.db2.gz RBERDKCVDYCSBZ-UHFFFAOYSA-N 1 2 415.563 2.477 20 0 HEADLO COc1cc(C)cnc1N1CCC2(CC1)C(=O)N(Cc1csc(C)n1)CC[N@@H+]2C ZINC001164820721 720375830 /nfs/dbraw/zinc/37/58/30/720375830.db2.gz RBERDKCVDYCSBZ-UHFFFAOYSA-N 1 2 415.563 2.477 20 0 HEADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN([C@@H](F)c1ccnc(Cl)c1)C2 ZINC001164824691 720450960 /nfs/dbraw/zinc/45/09/60/720450960.db2.gz POJFIYWRWARJMC-OXJNMPFZSA-N 1 2 423.920 2.385 20 0 HEADLO Cn1ccnc1C(=O)NCc1c[nH+]c2n1CCN([C@@H](F)c1ccnc(Cl)c1)CC2 ZINC001165015163 721765826 /nfs/dbraw/zinc/76/58/26/721765826.db2.gz MYKFJFLWLCTNOY-QGZVFWFLSA-N 1 2 417.876 2.121 20 0 HEADLO Clc1nc2c(c(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)n1)CCC2 ZINC001164913279 721771970 /nfs/dbraw/zinc/77/19/70/721771970.db2.gz VNBWHCWOAISWFM-OAQYLSRUSA-N 1 2 415.925 2.122 20 0 HEADLO Clc1nc2c(c(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)n1)CCC2 ZINC001164913279 721771973 /nfs/dbraw/zinc/77/19/73/721771973.db2.gz VNBWHCWOAISWFM-OAQYLSRUSA-N 1 2 415.925 2.122 20 0 HEADLO COc1cc(Cl)ncc1N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164912459 721776648 /nfs/dbraw/zinc/77/66/48/721776648.db2.gz MCHGRKOOTLGDFK-HXUWFJFHSA-N 1 2 404.898 2.246 20 0 HEADLO COc1cc(Cl)ncc1N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164912459 721776651 /nfs/dbraw/zinc/77/66/51/721776651.db2.gz MCHGRKOOTLGDFK-HXUWFJFHSA-N 1 2 404.898 2.246 20 0 HEADLO COc1cccc2cnc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)nc21 ZINC001164915559 721785156 /nfs/dbraw/zinc/78/51/56/721785156.db2.gz LCOOWDDDZANHSX-QHCPKHFHSA-N 1 2 421.501 2.141 20 0 HEADLO COc1cccc2cnc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)nc21 ZINC001164915559 721785163 /nfs/dbraw/zinc/78/51/63/721785163.db2.gz LCOOWDDDZANHSX-QHCPKHFHSA-N 1 2 421.501 2.141 20 0 HEADLO Clc1ccc2nc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)[nH]c2n1 ZINC001164917599 721791006 /nfs/dbraw/zinc/79/10/06/721791006.db2.gz YFJDTZJGVKKKCL-FQEVSTJZSA-N 1 2 414.897 2.114 20 0 HEADLO Clc1ccc2nc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)[nH]c2n1 ZINC001164917599 721791007 /nfs/dbraw/zinc/79/10/07/721791007.db2.gz YFJDTZJGVKKKCL-FQEVSTJZSA-N 1 2 414.897 2.114 20 0 HEADLO CCCSc1cncc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164913874 721796478 /nfs/dbraw/zinc/79/64/78/721796478.db2.gz HXVQMCDUQVGEJC-NRFANRHFSA-N 1 2 415.563 2.482 20 0 HEADLO CCCSc1cncc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164913874 721796481 /nfs/dbraw/zinc/79/64/81/721796481.db2.gz HXVQMCDUQVGEJC-NRFANRHFSA-N 1 2 415.563 2.482 20 0 HEADLO CCc1cc(N2CCO[C@@]3(C2)COCCN(Cc2csc(C)n2)C3)nc(C)[nH+]1 ZINC001164924413 721829993 /nfs/dbraw/zinc/82/99/93/721829993.db2.gz VYLLPRQEKNDMJZ-FQEVSTJZSA-N 1 2 403.552 2.220 20 0 HEADLO O=C(Nc1nncs1)c1cnc(N2CC[NH+](C[C@@H]3CCCO3)CC2)c(Cl)c1 ZINC001165043602 721919952 /nfs/dbraw/zinc/91/99/52/721919952.db2.gz MXIUVONMGBBRMY-ZDUSSCGKSA-N 1 2 408.915 2.140 20 0 HEADLO Cc1noc(C)c1CN1CCO[C@@H]2CN(c3cc(N4CCC[C@H](C)C4)[nH+]cn3)C[C@H]21 ZINC001164944431 721960268 /nfs/dbraw/zinc/96/02/68/721960268.db2.gz KAKFZVYBHRCPHP-CWFSZBLJSA-N 1 2 412.538 2.407 20 0 HEADLO