smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cccc([C@H](NC(=O)N[C@H]2CCN(c3ccc(F)cc3F)C2)C(=O)[O-])c1C ZINC000684730919 939033174 /nfs/dbraw/zinc/03/31/74/939033174.db2.gz VDRLQAOKTDETCO-KXBFYZLASA-N -1 0 403.429 3.285 20 0 HGADRM CCc1noc(-c2ccc(CCNC(=O)N[C@@H](C(=O)[O-])c3ccccc3F)cc2)n1 ZINC000684730827 939033399 /nfs/dbraw/zinc/03/33/99/939033399.db2.gz TWPBZYJLQULCSM-GOSISDBHSA-N -1 0 412.421 3.106 20 0 HGADRM Cc1cc(Br)ccc1CNC(=O)N[C@@]1(C(=O)[O-])CCc2ccccc21 ZINC000684732304 939034779 /nfs/dbraw/zinc/03/47/79/939034779.db2.gz NDKADXDTDRIVSQ-IBGZPJMESA-N -1 0 403.276 3.483 20 0 HGADRM O=C([O-])[C@H](NC(=O)NCCc1nnc(-c2ccccc2)o1)c1ccc(Cl)cc1 ZINC000684738492 939039617 /nfs/dbraw/zinc/03/96/17/939039617.db2.gz ATPRRWXTSSYUCO-MRXNPFEDSA-N -1 0 400.822 3.058 20 0 HGADRM CCO[C@@H]1C[C@](NC(=O)NC[C@H](CC)Oc2ccccc2Cl)(C(=O)[O-])C1(C)C ZINC000684740583 939041657 /nfs/dbraw/zinc/04/16/57/939041657.db2.gz IXYJYLHJOMXNAY-OWZDWXTDSA-N -1 0 412.914 3.455 20 0 HGADRM O=C([O-])[C@H](NC(=O)N[C@@H]1CCO[C@]2(CCSC2)C1)c1ccc(Cl)cc1Cl ZINC000684742688 939044544 /nfs/dbraw/zinc/04/45/44/939044544.db2.gz RFBWNOCZRGNFRS-JDSLSITLSA-N -1 0 419.330 3.473 20 0 HGADRM O=C([O-])[C@H](NC(=O)N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1)c1ccccc1F ZINC000684743641 939045452 /nfs/dbraw/zinc/04/54/52/939045452.db2.gz XCKHCGDBLZBILU-PIGZYNQJSA-N -1 0 409.820 3.322 20 0 HGADRM COc1ccc([C@@H](NC(=O)N[C@@H]2COc3cc(F)cc(F)c32)C(=O)[O-])cc1Cl ZINC000684746078 939047911 /nfs/dbraw/zinc/04/79/11/939047911.db2.gz XKEYTOMVGGKJLI-MLGOLLRUSA-N -1 0 412.776 3.185 20 0 HGADRM COCCn1ncc2ccc(NC(=O)N[C@@H](C(=O)[O-])c3ccc(F)c(C)c3)cc21 ZINC000684746813 939048902 /nfs/dbraw/zinc/04/89/02/939048902.db2.gz IDBPRQDYJBGDLW-GOSISDBHSA-N -1 0 400.410 3.078 20 0 HGADRM O=C([O-])C1(NC(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)CCCC1 ZINC000237946554 939051931 /nfs/dbraw/zinc/05/19/31/939051931.db2.gz UHUJRYXOKARYOC-CYBMUJFWSA-N -1 0 413.301 3.359 20 0 HGADRM CCO[C@@H]1C[C@@](NC(=O)CCc2ccc(Br)cc2F)(C(=O)[O-])C1(C)C ZINC000685023761 939053650 /nfs/dbraw/zinc/05/36/50/939053650.db2.gz OQWGHZIOGGLLHZ-RDTXWAMCSA-N -1 0 416.287 3.295 20 0 HGADRM CCO[C@@H]1C[C@@](NC(=O)c2csc(-c3ccccc3OC)n2)(C(=O)[O-])C1(C)C ZINC000685023074 939053678 /nfs/dbraw/zinc/05/36/78/939053678.db2.gz FPPIXDGUWNHFLH-FOIQADDNSA-N -1 0 404.488 3.207 20 0 HGADRM O=C([O-])[C@H](NC(=O)CCC[S@](=O)c1ccc(Br)cc1)c1ccccc1 ZINC000238010406 939054586 /nfs/dbraw/zinc/05/45/86/939054586.db2.gz CQWIJWGBDIPJEX-NSYGIPOTSA-N -1 0 424.316 3.279 20 0 HGADRM O=C([O-])[C@H](NC(=O)[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)c1ccccc1 ZINC000238026478 939055423 /nfs/dbraw/zinc/05/54/23/939055423.db2.gz QYXBTWCJLPEZSO-CZUORRHYSA-N -1 0 407.253 3.288 20 0 HGADRM O=C([O-])[C@H](NC(=O)c1cc(=O)[nH]c2ccc(Br)cc21)c1ccccc1 ZINC000238029220 939055841 /nfs/dbraw/zinc/05/58/41/939055841.db2.gz FULXFFXPUIVHPN-MRXNPFEDSA-N -1 0 401.216 3.259 20 0 HGADRM COc1ccc(C(=O)N[C@H](C(=O)[O-])c2c(C)nn(-c3ccc(F)cc3)c2C)c(F)c1 ZINC000746363118 939059904 /nfs/dbraw/zinc/05/99/04/939059904.db2.gz APSRNDVOSUIKPM-IBGZPJMESA-N -1 0 415.396 3.332 20 0 HGADRM Cc1nn(-c2ccc(F)cc2)c(C)c1[C@@H](NC(=O)COc1ccccc1C)C(=O)[O-] ZINC000746366717 939062614 /nfs/dbraw/zinc/06/26/14/939062614.db2.gz LFEKRKAZFYRXLV-OAQYLSRUSA-N -1 0 411.433 3.258 20 0 HGADRM O=C([O-])[C@@H](NC(=O)c1cnc2c(cnn2Cc2ccccc2)c1)c1cc(F)ccc1F ZINC000761584454 939067026 /nfs/dbraw/zinc/06/70/26/939067026.db2.gz KSSRXCHMBCDHLX-IBGZPJMESA-N -1 0 422.391 3.314 20 0 HGADRM C[C@@](NC(=O)C[C@H]1CSCCS1)(C(=O)[O-])c1cccc(Br)c1 ZINC000761806634 939068896 /nfs/dbraw/zinc/06/88/96/939068896.db2.gz FGFOVQHYEQSACE-WFASDCNBSA-N -1 0 404.351 3.104 20 0 HGADRM C[C@](NC(=O)CSCC(F)(F)F)(C(=O)[O-])c1cccc(Br)c1 ZINC000761808476 939069972 /nfs/dbraw/zinc/06/99/72/939069972.db2.gz UEIVQDRZUCIEBM-GFCCVEGCSA-N -1 0 400.216 3.161 20 0 HGADRM O=C([O-])[C@@H](NC(=O)CCCc1nc(-c2ccc(F)cc2)no1)c1ccccc1F ZINC000761867966 939070208 /nfs/dbraw/zinc/07/02/08/939070208.db2.gz XWBAXVWBIFIAPW-SFHVURJKSA-N -1 0 401.369 3.280 20 0 HGADRM O=C([O-])[C@H](NC(=O)CCNC(=O)c1ccc2ccccc2c1)c1cc(F)ccc1F ZINC000766953845 939077293 /nfs/dbraw/zinc/07/72/93/939077293.db2.gz JGEJSDLBLBVLFH-HXUWFJFHSA-N -1 0 412.392 3.180 20 0 HGADRM CC(=O)CCc1ccc(O[C@H](C)C(=O)N[C@@H](C(=O)[O-])c2cc(F)ccc2F)cc1 ZINC000766955857 939078335 /nfs/dbraw/zinc/07/83/35/939078335.db2.gz YQSAHZRJDRDASH-BFUOFWGJSA-N -1 0 405.397 3.196 20 0 HGADRM C[C@@](NC(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1)(C(=O)[O-])c1ccccc1 ZINC000766962997 939083639 /nfs/dbraw/zinc/08/36/39/939083639.db2.gz PIZJLGNCTSYGGA-BYUVYSIJSA-N -1 0 406.482 3.055 20 0 HGADRM O=C([O-])[C@@H](NC(=O)C1CCC(NC(=O)C2CCCC2)CC1)c1cc(F)ccc1F ZINC000766962527 939083753 /nfs/dbraw/zinc/08/37/53/939083753.db2.gz ZYZREXMJCSOKSU-RWKZGTHUSA-N -1 0 408.445 3.072 20 0 HGADRM C[C@](NC(=O)C[C@H](O)c1cccc(F)c1)(C(=O)[O-])c1cccc(Br)c1 ZINC000776648822 939090795 /nfs/dbraw/zinc/09/07/95/939090795.db2.gz CSZSIMXOBWSERX-MAUKXSAKSA-N -1 0 410.239 3.128 20 0 HGADRM COc1ccc(CC(=O)N[C@](C)(C(=O)[O-])c2cccc(Br)c2)cc1OC ZINC000776648887 939091331 /nfs/dbraw/zinc/09/13/31/939091331.db2.gz FYPMJBONRSTMIZ-IBGZPJMESA-N -1 0 422.275 3.125 20 0 HGADRM CC(=O)Nc1cc(C(=O)N[C@](C)(C(=O)[O-])c2cccc(Br)c2)ccc1C ZINC000776648957 939091585 /nfs/dbraw/zinc/09/15/85/939091585.db2.gz IBGDGRKBXZDYFY-IBGZPJMESA-N -1 0 419.275 3.446 20 0 HGADRM CC(C)(C)c1noc(CCC(=O)N[C@](C)(C(=O)[O-])c2cccc(Br)c2)n1 ZINC000776649300 939092895 /nfs/dbraw/zinc/09/28/95/939092895.db2.gz CVAFIAXIMVZKKQ-SFHVURJKSA-N -1 0 424.295 3.178 20 0 HGADRM COc1ccc(C(=O)N[C@](C)(C(=O)[O-])c2cccc(Br)c2)c(OC)c1 ZINC000776649587 939093906 /nfs/dbraw/zinc/09/39/06/939093906.db2.gz KQXDBOTWRPBBIO-SFHVURJKSA-N -1 0 408.248 3.196 20 0 HGADRM C[C@](NC(=O)c1cc(-c2cccnc2)on1)(C(=O)[O-])c1cccc(Br)c1 ZINC000776649745 939094253 /nfs/dbraw/zinc/09/42/53/939094253.db2.gz XAZRAXXWXHFGEX-GOSISDBHSA-N -1 0 416.231 3.229 20 0 HGADRM C[C@@](NC(=O)c1cc2c(s1)CCOC2)(C(=O)[O-])c1cccc(Br)c1 ZINC000776649871 939094833 /nfs/dbraw/zinc/09/48/33/939094833.db2.gz ZRBKOYZKIKFQPG-KRWDZBQOSA-N -1 0 410.289 3.313 20 0 HGADRM COc1cc(/C=C/C(=O)N[C@@](C)(C(=O)[O-])C2CC2)ccc1OCc1c(C)noc1C ZINC000776649966 939095470 /nfs/dbraw/zinc/09/54/70/939095470.db2.gz VBKIBLZHRXXMFK-MOVYNIQHSA-N -1 0 414.458 3.262 20 0 HGADRM CC(C)Oc1ccc(C(=O)N[C@@](C)(C(=O)[O-])c2cccc(Br)c2)cn1 ZINC000776652033 939098890 /nfs/dbraw/zinc/09/88/90/939098890.db2.gz PHIBRSROVHQYHW-GOSISDBHSA-N -1 0 407.264 3.361 20 0 HGADRM Cc1nn(C)c(C)c1[C@H](C)C(=O)N[C@@](C)(C(=O)[O-])c1cccc(Br)c1 ZINC000776652109 939099225 /nfs/dbraw/zinc/09/92/25/939099225.db2.gz QMRJYXXLSDRMER-XTZNXHDOSA-N -1 0 408.296 3.019 20 0 HGADRM C[C@](NC(=O)c1c(Cl)nc2ccccn21)(C(=O)[O-])c1cccc(Br)c1 ZINC000776653104 939100806 /nfs/dbraw/zinc/10/08/06/939100806.db2.gz YVMLTAZPCJRNPL-QGZVFWFLSA-N -1 0 422.666 3.480 20 0 HGADRM O=C([O-])[C@H](NC(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1)c1ccccc1F ZINC000776665960 939103362 /nfs/dbraw/zinc/10/33/62/939103362.db2.gz JFXKNNSKKBANQF-RQWLHQTBSA-N -1 0 410.445 3.020 20 0 HGADRM C[C@@H](CN(C)C(=O)OC(C)(C)C)C(=O)N[C@@H](C(=O)[O-])c1ccc(Cl)c(F)c1 ZINC000776688290 939105490 /nfs/dbraw/zinc/10/54/90/939105490.db2.gz NULYCSAUDWKIGI-IINYFYTJSA-N -1 0 402.850 3.224 20 0 HGADRM Cc1c[nH]c(=O)n1-c1ccc(C(=O)N[C@@H](C(=O)[O-])c2ccc(Cl)c(F)c2)cc1 ZINC000776688524 939105527 /nfs/dbraw/zinc/10/55/27/939105527.db2.gz QEHOPXZCFDAXHR-MRXNPFEDSA-N -1 0 403.797 3.235 20 0 HGADRM O=C([O-])[C@@H](NC(=O)NC[C@H](c1ccccc1Cl)N1CCOCC1)C1CCCCC1 ZINC000780388893 939113461 /nfs/dbraw/zinc/11/34/61/939113461.db2.gz FQSMBXMVGQYOBL-MOPGFXCFSA-N -1 0 423.941 3.046 20 0 HGADRM C[C@](NC(=O)Nc1ccc(I)cc1)(C(=O)[O-])c1ccccc1 ZINC000315503422 939121485 /nfs/dbraw/zinc/12/14/85/939121485.db2.gz WETOZPKSWYJABI-MRXNPFEDSA-N -1 0 410.211 3.413 20 0 HGADRM COc1cc([C@@H](C)NC(=O)N[C@](C)(C(=O)[O-])C2CC2)ccc1OCc1ccncc1 ZINC000780443362 939122474 /nfs/dbraw/zinc/12/24/74/939122474.db2.gz ZROINVPHEGQYOO-PEBXRYMYSA-N -1 0 413.474 3.283 20 0 HGADRM COc1ccc(CCNC(=O)N[C@H](C(=O)[O-])C2CCCCC2)cc1OC(F)F ZINC000780513902 939130520 /nfs/dbraw/zinc/13/05/20/939130520.db2.gz OMYPBNLZPGVWCY-INIZCTEOSA-N -1 0 400.422 3.172 20 0 HGADRM O=C([O-])[C@H](NC(=O)NC[C@@H](c1cccc(Cl)c1)N1CCOCC1)C1CCCCC1 ZINC000780531850 939131036 /nfs/dbraw/zinc/13/10/36/939131036.db2.gz BIFQTKUQGVYZQC-RBUKOAKNSA-N -1 0 423.941 3.046 20 0 HGADRM Cc1cc(SCC(=O)N[C@@]2(C(=O)[O-])CCSC2)c(C)cc1Br ZINC000387079240 939133548 /nfs/dbraw/zinc/13/35/48/939133548.db2.gz WBJCDRSPSDJTBS-HNNXBMFYSA-N -1 0 404.351 3.235 20 0 HGADRM O=C([O-])[C@@H](NC(=O)N[C@@H]1CCCN(Cc2c(F)cccc2F)C1)C1CCCCC1 ZINC000780570744 939134726 /nfs/dbraw/zinc/13/47/26/939134726.db2.gz KUYASGQGSYQDQN-BEFAXECRSA-N -1 0 409.477 3.262 20 0 HGADRM O=C([O-])[C@H](NC(=O)c1cccc(CS(=O)(=O)c2ccccc2)c1)c1ccccc1 ZINC000428032713 939147330 /nfs/dbraw/zinc/14/73/30/939147330.db2.gz KWWWENWVWNEINX-HXUWFJFHSA-N -1 0 409.463 3.216 20 0 HGADRM C[C@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)N[C@@H](C(=O)[O-])c2ccccc2)cc1 ZINC000428078538 939148704 /nfs/dbraw/zinc/14/87/04/939148704.db2.gz NLJOSVDUOMMHEE-PNLZDCPESA-N -1 0 424.497 3.411 20 0 HGADRM O=C([O-])[C@@H](NC(=O)c1cnc([C@@H]2CCCO2)s1)c1ccc(Br)cc1 ZINC000431433239 939150479 /nfs/dbraw/zinc/15/04/79/939150479.db2.gz UKAMSJGBPXVONB-AAEUAGOBSA-N -1 0 411.277 3.313 20 0 HGADRM O=C([O-])[C@@H](NC(=O)c1ccnc(OC2CCC2)c1)c1ccc(Br)cc1 ZINC000431440677 939151184 /nfs/dbraw/zinc/15/11/84/939151184.db2.gz KTKCTHLNTOXGCY-INIZCTEOSA-N -1 0 405.248 3.331 20 0 HGADRM Cc1cc(C)n(-c2ccc(C(=O)N[C@@H](C(=O)[O-])c3ccc(Cl)c(F)c3)cn2)n1 ZINC000431773916 939153702 /nfs/dbraw/zinc/15/37/02/939153702.db2.gz QFZYEBFGIRZHOU-QGZVFWFLSA-N -1 0 402.813 3.232 20 0 HGADRM CC1CCC(NC(=O)c2cccc(NC(=O)[C@@H]3Cc4ccccc4O3)c2)(C(=O)[O-])CC1 ZINC000431777510 939154620 /nfs/dbraw/zinc/15/46/20/939154620.db2.gz YNSBEMHESRWPTJ-QOTJCZOLSA-N -1 0 422.481 3.392 20 0 HGADRM Cc1nn(Cc2ccccc2)c2sc(C(=O)N[C@]3(C(=O)[O-])CCSC3)cc12 ZINC000431777001 939154671 /nfs/dbraw/zinc/15/46/71/939154671.db2.gz VSVWKVHKKCUYRX-LJQANCHMSA-N -1 0 401.513 3.145 20 0 HGADRM COc1cccc(CNC(=O)N[C@@](C)(C(=O)[O-])c2cccc(Br)c2)c1 ZINC000797703082 939159290 /nfs/dbraw/zinc/15/92/90/939159290.db2.gz MVAKRSNHIMIBRA-GOSISDBHSA-N -1 0 407.264 3.257 20 0 HGADRM Cc1nc2ccccc2n1CCCNC(=O)N[C@H](C(=O)[O-])c1cc(F)ccc1F ZINC000797704008 939160278 /nfs/dbraw/zinc/16/02/78/939160278.db2.gz NOZCGVQHOXZMGT-SFHVURJKSA-N -1 0 402.401 3.138 20 0 HGADRM CC(C)n1ncc2c1nc(-c1cccs1)cc2C(=O)N[C@@]1(C(=O)[O-])CCSC1 ZINC000431806781 939161024 /nfs/dbraw/zinc/16/10/24/939161024.db2.gz CYWCCYMJWXXNOM-IBGZPJMESA-N -1 0 416.528 3.431 20 0 HGADRM Cc1cc(C(=O)N[C@@]2(C(=O)[O-])CCSC2)nn1-c1ccc(Cl)cc1Cl ZINC000431807805 939161043 /nfs/dbraw/zinc/16/10/43/939161043.db2.gz HWNPGSRPYJZRIK-INIZCTEOSA-N -1 0 400.287 3.178 20 0 HGADRM COCc1ccc(CNC(=O)N[C@](C)(C(=O)[O-])c2cccc(Br)c2)cc1 ZINC000797706714 939164265 /nfs/dbraw/zinc/16/42/65/939164265.db2.gz 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/nfs/dbraw/zinc/07/68/82/939076882.db2.gz HXROTTGDDXPNQA-SFHVURJKSA-N -1 0 403.360 3.462 20 0 HGADRM CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N[C@@H](C(=O)[O-])c1cc(F)ccc1F ZINC000766955057 939077905 /nfs/dbraw/zinc/07/79/05/939077905.db2.gz ULTAOKPPAAOTCO-AZUAARDMSA-N -1 0 400.381 3.171 20 0 HGADRM CCC1CCC(NC(=O)C[C@@](O)(c2nc(C)cs2)C(F)(F)F)(C(=O)[O-])CC1 ZINC000776646903 939090164 /nfs/dbraw/zinc/09/01/64/939090164.db2.gz SZVOSGIIQZWGBN-QJLPXFQTSA-N -1 0 408.442 3.131 20 0 HGADRM C[C@](NC(=O)c1cc2ccccc2c(=O)[nH]1)(C(=O)[O-])c1cccc(Br)c1 ZINC000776649593 939093659 /nfs/dbraw/zinc/09/36/59/939093659.db2.gz LDYXYJDOHQBCGY-LJQANCHMSA-N -1 0 415.243 3.433 20 0 HGADRM Cc1nn(CC(=O)N[C@](C)(C(=O)[O-])c2cccc(Br)c2)c(C)c1Cl ZINC000776649658 939094232 /nfs/dbraw/zinc/09/42/32/939094232.db2.gz UPGLJWADTGKNOK-INIZCTEOSA-N -1 0 414.687 3.032 20 0 HGADRM COC(=O)Nc1cccc(C(=O)N[C@](C)(C(=O)[O-])c2cccc(Br)c2)c1 ZINC000776649750 939094492 /nfs/dbraw/zinc/09/44/92/939094492.db2.gz XBBNVTDVUFSMCP-SFHVURJKSA-N -1 0 421.247 3.357 20 0 HGADRM C[C@@](NC(=O)[C@H]1Cc2cc(F)ccc2O1)(C(=O)[O-])c1cccc(Br)c1 ZINC000776649905 939094701 /nfs/dbraw/zinc/09/47/01/939094701.db2.gz QRVOZYPEMFBZCU-QAPCUYQASA-N -1 0 408.223 3.008 20 0 HGADRM C[C@](NC(=O)c1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1)(C(=O)[O-])C1CC1 ZINC000776649960 939095277 /nfs/dbraw/zinc/09/52/77/939095277.db2.gz UZKCXHKCWIBVNV-QZMUEMGWSA-N -1 0 414.483 3.082 20 0 HGADRM C[C@@H](Oc1ccccc1F)C(=O)N[C@@](C)(C(=O)[O-])c1cccc(Br)c1 ZINC000776651215 939097317 /nfs/dbraw/zinc/09/73/17/939097317.db2.gz JFECEHBPIXFRCZ-ADLMAVQZSA-N -1 0 410.239 3.472 20 0 HGADRM C[C@H](Oc1ccccc1F)C(=O)N[C@@](C)(C(=O)[O-])c1cccc(Br)c1 ZINC000776651216 939097343 /nfs/dbraw/zinc/09/73/43/939097343.db2.gz JFECEHBPIXFRCZ-BBATYDOGSA-N -1 0 410.239 3.472 20 0 HGADRM COCCOc1ccc(C(=O)N[C@@](C)(C(=O)[O-])c2cccc(Br)c2)cc1 ZINC000776652920 939100188 /nfs/dbraw/zinc/10/01/88/939100188.db2.gz XIWUEKMGGVLQCT-LJQANCHMSA-N -1 0 422.275 3.204 20 0 HGADRM C[C@H](Oc1ccc(F)cc1)C(=O)N[C@](C)(C(=O)[O-])c1cccc(Br)c1 ZINC000776652543 939100205 /nfs/dbraw/zinc/10/02/05/939100205.db2.gz VIKLRJQQDKHXPN-VOJFVSQTSA-N -1 0 410.239 3.472 20 0 HGADRM Cc1cc(C)nc(SCC(=O)N[C@@](C)(C(=O)[O-])c2cccc(Br)c2)n1 ZINC000776653257 939100737 /nfs/dbraw/zinc/10/07/37/939100737.db2.gz ZCMOYAKVEKDTQF-QGZVFWFLSA-N -1 0 424.320 3.064 20 0 HGADRM COc1cc(C(=O)NC2(C(=O)[O-])CCSCC2)ccc1OCc1ccccc1 ZINC000776662408 939101658 /nfs/dbraw/zinc/10/16/58/939101658.db2.gz DXSQLSXPNOLAGB-UHFFFAOYSA-N -1 0 401.484 3.354 20 0 HGADRM O=C([O-])[C@@H](NC(=O)c1ccc(S(=O)(=O)C(F)F)cc1)c1ccc(Cl)c(F)c1 ZINC000776689077 939105918 /nfs/dbraw/zinc/10/59/18/939105918.db2.gz ZWGIVROUZFXTMR-ZDUSSCGKSA-N -1 0 421.780 3.031 20 0 HGADRM O=C([O-])[C@@H](NC(=O)N[C@H]1CCN(c2ccccc2Br)C1)c1ccccc1 ZINC000780570896 939134767 /nfs/dbraw/zinc/13/47/67/939134767.db2.gz AFNPGHFGQKMLDI-YOEHRIQHSA-N -1 0 418.291 3.153 20 0 HGADRM O=C([O-])[C@@H](NC(=O)N[C@H]1CCN(c2ccccc2OC(F)F)C1)C1CCCCC1 ZINC000780575925 939137118 /nfs/dbraw/zinc/13/71/18/939137118.db2.gz FIYGRGITRYUBKF-YOEHRIQHSA-N -1 0 411.449 3.199 20 0 HGADRM COc1ccc(Br)cc1C(=O)CCC(=O)N[C@@H](C(=O)[O-])c1ccccc1 ZINC000428034507 939147247 /nfs/dbraw/zinc/14/72/47/939147247.db2.gz DGDXWLSFDABGLG-GOSISDBHSA-N -1 0 420.259 3.363 20 0 HGADRM Cc1ccc(NS(=O)(=O)c2cccc(C(=O)N[C@@H](C(=O)[O-])c3ccccc3)c2)cc1 ZINC000428051539 939148102 /nfs/dbraw/zinc/14/81/02/939148102.db2.gz DZPHCBUADVRHTO-HXUWFJFHSA-N -1 0 424.478 3.352 20 0 HGADRM O=C([O-])[C@H](NC(=O)c1cc2c(cc1F)NC(=O)CC2)c1ccc(Br)cc1 ZINC000431448132 939151622 /nfs/dbraw/zinc/15/16/22/939151622.db2.gz WNGDVZZSAWAPQK-MRXNPFEDSA-N -1 0 421.222 3.029 20 0 HGADRM O=C([O-])[C@H](NC(=O)c1ncc(Br)cc1Br)c1ccccc1 ZINC000431466643 939152735 /nfs/dbraw/zinc/15/27/35/939152735.db2.gz UTPPFBZYRYVUCH-LLVKDONJSA-N -1 0 414.053 3.162 20 0 HGADRM O=C([O-])[C@@H](NC(=O)NCCc1ccc2c(c1)OCCO2)c1cccc2ccccc21 ZINC000797702661 939158856 /nfs/dbraw/zinc/15/88/56/939158856.db2.gz FIZNQGHSYSWWQA-NRFANRHFSA-N -1 0 406.438 3.279 20 0 HGADRM C[C@@](NC(=O)NCCc1ccc(F)cc1)(C(=O)[O-])c1cccc(Br)c1 ZINC000797703243 939159237 /nfs/dbraw/zinc/15/92/37/939159237.db2.gz WIPLQJZPYQCTJZ-SFHVURJKSA-N -1 0 409.255 3.430 20 0 HGADRM COc1ccc([C@@H](NC(=O)[C@@H](C)c2c(C)nn(CC(F)(F)F)c2C)C(=O)[O-])cc1 ZINC000431797567 939159342 /nfs/dbraw/zinc/15/93/42/939159342.db2.gz DRZGXGRAGFJWRD-MGPLVRAMSA-N -1 0 413.396 3.116 20 0 HGADRM Cc1nn(-c2cccc(Cl)c2)c2sc(C(=O)N[C@@]3(C(=O)[O-])CCOC3)cc12 ZINC000431801799 939160492 /nfs/dbraw/zinc/16/04/92/939160492.db2.gz QDTGGTQNEZUGPC-SFHVURJKSA-N -1 0 405.863 3.022 20 0 HGADRM COc1ccc([C@@H](NC(=O)c2ccc(-c3noc(C(F)(F)F)n3)cc2)C(=O)[O-])cc1 ZINC000431813495 939161247 /nfs/dbraw/zinc/16/12/47/939161247.db2.gz UHNMTWSBKNDNSU-CQSZACIVSA-N -1 0 421.331 3.320 20 0 HGADRM COc1cc(CNC(=O)N[C@@H](C(=O)[O-])c2cc(F)ccc2F)ccc1OC(F)F ZINC000797705118 939162297 /nfs/dbraw/zinc/16/22/97/939162297.db2.gz ZXYMYVDOZPVWEJ-OAHLLOKOSA-N -1 0 416.327 3.200 20 0 HGADRM COc1cc([C@@H](C)NC(=O)N[C@](C)(C(=O)[O-])c2ccccc2)cc(OC)c1OC ZINC000797706626 939164283 /nfs/dbraw/zinc/16/42/83/939164283.db2.gz CZNNSAVWIMZSDR-ASSNKEHSSA-N -1 0 402.447 3.073 20 0 HGADRM Cc1ccc(C(=O)N[C@H](C(=O)[O-])c2ccc3ccccc3c2)cc1NS(C)(=O)=O ZINC000431869289 939165461 /nfs/dbraw/zinc/16/54/61/939165461.db2.gz FBQYSPGTTSQQPR-IBGZPJMESA-N -1 0 412.467 3.075 20 0 HGADRM O=C([O-])[C@@H](NC(=O)c1c[nH]c(=O)c(Br)c1)c1ccc2ccccc2c1 ZINC000431873472 939165893 /nfs/dbraw/zinc/16/58/93/939165893.db2.gz YCHOMNBXKUAJAP-HNNXBMFYSA-N -1 0 401.216 3.259 20 0 HGADRM O=C([O-])[C@@H](NC(=O)c1cn(Cc2cccc(F)c2)nn1)c1ccc2ccccc2c1 ZINC000431881964 939168005 /nfs/dbraw/zinc/16/80/05/939168005.db2.gz MDHRXMDVZXCBEE-FQEVSTJZSA-N -1 0 404.401 3.174 20 0 HGADRM COc1ccccc1N1C[C@H](C(=O)N[C@@H](C(=O)[O-])c2ccc3ccccc3c2)CC1=O ZINC000431885776 939168949 /nfs/dbraw/zinc/16/89/49/939168949.db2.gz VDRHXLCWDFMXIJ-XMSQKQJNSA-N -1 0 418.449 3.143 20 0 HGADRM O=C([O-])[C@@H](NC(=O)NCC1(c2ccccc2)CCOCC1)c1cc(F)ccc1F ZINC000797710416 939168931 /nfs/dbraw/zinc/16/89/31/939168931.db2.gz XKJIDPYNSMZGCG-SFHVURJKSA-N -1 0 404.413 3.138 20 0 HGADRM O=C([O-])[C@@H](NC(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1)[C@H]1CCCOC1 ZINC000432092626 939172577 /nfs/dbraw/zinc/17/25/77/939172577.db2.gz YLJNNZGHDLAAJF-LRDDRELGSA-N -1 0 422.890 3.263 20 0 HGADRM O=C([O-])[C@@H](NC(=O)NC[C@H]1CCN(c2ccc(F)cc2)C1)c1cc(F)ccc1F ZINC000797713103 939172658 /nfs/dbraw/zinc/17/26/58/939172658.db2.gz CBIPDTQTYDTPQV-XIKOKIGWSA-N -1 0 407.392 3.055 20 0 HGADRM COc1ccc([C@@H](NC(=O)NCc2ccn(-c3ccccc3)n2)C(=O)[O-])cc1Cl ZINC000797714996 939175591 /nfs/dbraw/zinc/17/55/91/939175591.db2.gz DOKGBQKMVOMKRP-GOSISDBHSA-N -1 0 414.849 3.159 20 0 HGADRM C[C@@](NC(=O)NCCCOC1CCCC1)(C(=O)[O-])c1cccc(Br)c1 ZINC000797716652 939177805 /nfs/dbraw/zinc/17/78/05/939177805.db2.gz VVUVFOJMFWPPJN-SFHVURJKSA-N -1 0 413.312 3.397 20 0 HGADRM O=C([O-])[C@H](NC(=O)COc1ccc(-c2ccccc2)cc1Cl)[C@@H]1CCCOC1 ZINC000432122308 939179821 /nfs/dbraw/zinc/17/98/21/939179821.db2.gz LHHOFVOSSYFDIZ-OXQOHEQNSA-N -1 0 403.862 3.382 20 0 HGADRM O=C([O-])[C@H](NC(=O)NCCc1coc(-c2ccc(F)cc2)n1)c1cc(F)ccc1F ZINC000797718824 939180356 /nfs/dbraw/zinc/18/03/56/939180356.db2.gz UUKPVRCCXLWOSJ-QGZVFWFLSA-N -1 0 419.359 3.427 20 0 HGADRM O=C([O-])[C@@H](NC(=O)[C@H]1C[C@@H]1c1ccc(OCc2ccccc2)cc1)[C@@H]1CCCOC1 ZINC000432126798 939181287 /nfs/dbraw/zinc/18/12/87/939181287.db2.gz PALZYIRPMQQRJT-YJMBLLCNSA-N -1 0 409.482 3.365 20 0 HGADRM CC(C)n1cc([C@@H](C)NC(=O)N[C@H](C(=O)[O-])c2ccc(Br)cc2)cn1 ZINC000797722368 939184673 /nfs/dbraw/zinc/18/46/73/939184673.db2.gz SMAAWWMBSBNQEA-ABAIWWIYSA-N -1 0 409.284 3.413 20 0 HGADRM CCO[C@H]1C[C@@](NC(=O)c2cccc(OCc3cscn3)c2)(C(=O)[O-])C1(C)C ZINC000439693769 939186017 /nfs/dbraw/zinc/18/60/17/939186017.db2.gz HDEVNYKCMZFCJS-OXJNMPFZSA-N -1 0 404.488 3.110 20 0 HGADRM CCO[C@H]1C[C@](NC(=O)c2cccc(OCc3cscn3)c2)(C(=O)[O-])C1(C)C ZINC000439693768 939186025 /nfs/dbraw/zinc/18/60/25/939186025.db2.gz HDEVNYKCMZFCJS-JXFKEZNVSA-N -1 0 404.488 3.110 20 0 HGADRM CCc1ccc([C@@H](COC)NC(=O)N[C@H](C(=O)[O-])c2ccc(OC)c(Cl)c2)o1 ZINC000797723395 939186112 /nfs/dbraw/zinc/18/61/12/939186112.db2.gz DZIRRYWBMVXXDT-PBHICJAKSA-N -1 0 410.854 3.317 20 0 HGADRM CCO[C@@H]1C[C@@](NC(=O)c2csc(Cc3ccccc3F)n2)(C(=O)[O-])C1(C)C ZINC000439696215 939186905 /nfs/dbraw/zinc/18/69/05/939186905.db2.gz PGAHZNZNCYXNGV-FOIQADDNSA-N -1 0 406.479 3.261 20 0 HGADRM COC[C@@H](NC(=O)N[C@H](C(=O)[O-])c1ccc(Br)cc1)c1ccc(C)o1 ZINC000797724488 939187195 /nfs/dbraw/zinc/18/71/95/939187195.db2.gz ODUQPDGVCUHROY-HIFRSBDPSA-N -1 0 411.252 3.163 20 0 HGADRM CCO[C@H]1C[C@](NC(=O)c2cccc(COc3ccc(C)nc3)c2)(C(=O)[O-])C1(C)C ZINC000439697814 939187666 /nfs/dbraw/zinc/18/76/66/939187666.db2.gz UJCHEYIUCCEXAQ-CVDCTZTESA-N -1 0 412.486 3.357 20 0 HGADRM CCO[C@H]1C[C@@](NC(=O)CCCc2ncc(-c3ccccc3)o2)(C(=O)[O-])C1(C)C ZINC000439698466 939188501 /nfs/dbraw/zinc/18/85/01/939188501.db2.gz RYPKFPVFTQRVJE-HTAPYJJXSA-N -1 0 400.475 3.439 20 0 HGADRM 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GLTPNWJMHPHFQB-HOCLYGCPSA-N -1 0 408.838 3.224 20 0 HGADRM C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N[C@H](C(=O)[O-])c1ccccc1F ZINC000678986837 939869157 /nfs/dbraw/zinc/86/91/57/939869157.db2.gz OHIQHOGFWLMTIV-VFZGTOFNSA-N -1 0 413.232 3.193 20 0 HGADRM Cc1cc(-c2noc(CCC(=O)N[C@H](C(=O)[O-])c3ccccc3F)n2)ccc1F ZINC000678987663 939869329 /nfs/dbraw/zinc/86/93/29/939869329.db2.gz RWMYQFHGXTUVGE-SFHVURJKSA-N -1 0 401.369 3.198 20 0 HGADRM O=C([O-])[C@H](NC(=O)c1cn(-c2ccc(Br)cc2)cn1)c1ccccc1F ZINC000678989938 939869588 /nfs/dbraw/zinc/86/95/88/939869588.db2.gz WINSATIDEQHIFY-MRXNPFEDSA-N -1 0 418.222 3.330 20 0 HGADRM O=C([O-])[C@H](NC(=O)CCCCCNC(=O)NC1CCCCC1)c1ccccc1F ZINC000678990228 939869627 /nfs/dbraw/zinc/86/96/27/939869627.db2.gz SUHGLVOOHDYFPN-LJQANCHMSA-N -1 0 407.486 3.260 20 0 HGADRM C[C@@](NC(=O)c1cc(=O)[nH]c2c(Br)cccc12)(C(=O)[O-])c1ccccc1 ZINC000683306561 939870302 /nfs/dbraw/zinc/87/03/02/939870302.db2.gz DUPBJXDPAHAKFP-IBGZPJMESA-N -1 0 415.243 3.433 20 0 HGADRM 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ZINC000684725049 939872904 /nfs/dbraw/zinc/87/29/04/939872904.db2.gz KLYSWXXXCULAHC-BZNIZROVSA-N -1 0 412.364 3.320 20 0 HGADRM Cc1cc([C@@H](NC(=O)NC[C@H]2CCN(c3ccc(F)c(F)c3)C2)C(=O)[O-])ccc1F ZINC000684726137 939873148 /nfs/dbraw/zinc/87/31/48/939873148.db2.gz LAOFVDVGBYPKGO-BFUOFWGJSA-N -1 0 421.419 3.364 20 0 HGADRM COc1ccc(OC)c(CCNC(=O)N[C@H](C(=O)[O-])c2ccc(Cl)c(F)c2)c1 ZINC000684726283 939873208 /nfs/dbraw/zinc/87/32/08/939873208.db2.gz QWCNDWRJJMEOEO-KRWDZBQOSA-N -1 0 410.829 3.164 20 0 HGADRM Cc1nn(-c2ccc(F)cc2)c(C)c1[C@H](NC(=O)NCCOC1CCCC1)C(=O)[O-] ZINC000684726944 939873245 /nfs/dbraw/zinc/87/32/45/939873245.db2.gz LDAGUKBKIZBBPH-IBGZPJMESA-N -1 0 418.469 3.012 20 0 HGADRM COc1ccc([C@@H](NC(=O)NCC(C)(C)c2ccccc2OC)C(=O)[O-])cc1F ZINC000684729163 939873717 /nfs/dbraw/zinc/87/37/17/939873717.db2.gz ZHDCXNYXPQHBHV-GOSISDBHSA-N -1 0 404.438 3.246 20 0 HGADRM Cc1cc(C)cc([C@@H](NC(=O)N[C@H]2CCN(c3ccc(F)cc3F)C2)C(=O)[O-])c1 ZINC000684729606 939873843 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413.312 3.471 20 0 HGADRM COc1ccc([C@H](NC(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)C(=O)[O-])cc1Cl ZINC000684744193 939046068 /nfs/dbraw/zinc/04/60/68/939046068.db2.gz ZGAQJXIUTUGCDS-SJWGOKEGSA-N -1 0 408.882 3.121 20 0 HGADRM Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1[C@@H](NC(=O)c1ccc[nH]1)C(=O)[O-] ZINC000237803790 939050367 /nfs/dbraw/zinc/05/03/67/939050367.db2.gz CAFQTKVYWVZPEK-MRXNPFEDSA-N -1 0 406.364 3.392 20 0 HGADRM Cc1cc(C(=O)N[C@H](C(=O)[O-])c2c(C)nn(-c3cccc(C(F)(F)F)c3)c2C)no1 ZINC000237875961 939050761 /nfs/dbraw/zinc/05/07/61/939050761.db2.gz NHPJIKKOHZXOBI-INIZCTEOSA-N -1 0 422.363 3.360 20 0 HGADRM Cc1nc(C(=O)N[C@@H](C(=O)[O-])c2ccccc2)nn1-c1c(Cl)cccc1Cl ZINC000237831563 939050937 /nfs/dbraw/zinc/05/09/37/939050937.db2.gz KUUHRCDORBGDTH-CQSZACIVSA-N -1 0 405.241 3.438 20 0 HGADRM COc1ccc([C@H](NC(=O)Nc2ccc(C)c(OCC(F)F)c2)C(=O)[O-])cc1O ZINC000684748571 939051121 /nfs/dbraw/zinc/05/11/21/939051121.db2.gz WOWLQKYFOOMPEH-KRWDZBQOSA-N -1 0 410.373 3.301 20 0 HGADRM 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721882037 /nfs/dbraw/zinc/88/20/37/721882037.db2.gz JTKJROFAZKRDCT-UHFFFAOYSA-N -1 0 405.792 3.370 20 0 HGADRM CCOc1c(Br)cc(C(=O)NC2(C(=O)[O-])CCCCC2)cc1OC ZINC000013168410 939030738 /nfs/dbraw/zinc/03/07/38/939030738.db2.gz HMTUABXUIZTXGL-UHFFFAOYSA-N -1 0 400.269 3.374 20 0 HGADRM Cc1cc(Br)ccc1CNC(=O)N[C@H](C(=O)[O-])c1ccc2c(c1)CCO2 ZINC000684733249 939035552 /nfs/dbraw/zinc/03/55/52/939035552.db2.gz SBRBQORVUBKDML-KRWDZBQOSA-N -1 0 419.275 3.318 20 0 HGADRM O=C([O-])[C@@H](NC(=O)NCCc1nnc(-c2ccccc2)o1)c1ccc(Cl)cc1 ZINC000684738491 939039797 /nfs/dbraw/zinc/03/97/97/939039797.db2.gz ATPRRWXTSSYUCO-INIZCTEOSA-N -1 0 400.822 3.058 20 0 HGADRM Cc1ccc(CNC(=O)N[C@H](C(=O)[O-])c2ccc(C)c(C)c2)c(O[C@@H]2CCOC2)c1 ZINC000684740569 939041557 /nfs/dbraw/zinc/04/15/57/939041557.db2.gz IVVSFHLNNFATHV-CTNGQTDRSA-N -1 0 412.486 3.405 20 0 HGADRM COc1ccc([C@@H](NC(=O)NC[C@@H](OC)c2ccccc2Cl)C(=O)[O-])cc1F ZINC000684740735 939042223 /nfs/dbraw/zinc/04/22/23/939042223.db2.gz KRTNRCKSYZVUCG-IAGOWNOFSA-N 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ZINC000749106220 939065471 /nfs/dbraw/zinc/06/54/71/939065471.db2.gz OGUTVVOMRZMIMA-GOSISDBHSA-N -1 0 407.239 3.314 20 0 HGADRM O=C([O-])[C@H](NC(=O)c1nc(Br)cs1)c1ccc(Br)cc1 ZINC000761578042 939065811 /nfs/dbraw/zinc/06/58/11/939065811.db2.gz UGFSDXWSMXSXBL-SECBINFHSA-N -1 0 420.082 3.224 20 0 HGADRM CC(C)C(=O)N(C)Cc1ccc(C(=O)N[C@@H](C(=O)[O-])c2cc(F)ccc2F)cc1 ZINC000761582602 939066136 /nfs/dbraw/zinc/06/61/36/939066136.db2.gz FEIGMAQWIKODFO-GOSISDBHSA-N -1 0 404.413 3.135 20 0 HGADRM C[C@@](NC(=O)C[C@@H]1CSCCS1)(C(=O)[O-])c1cccc(Br)c1 ZINC000761806630 939068638 /nfs/dbraw/zinc/06/86/38/939068638.db2.gz FGFOVQHYEQSACE-DOMZBBRYSA-N -1 0 404.351 3.104 20 0 HGADRM CC(C)Oc1cccc(C(=O)N[C@](C)(C(=O)[O-])c2cccc(Br)c2)n1 ZINC000761807582 939069231 /nfs/dbraw/zinc/06/92/31/939069231.db2.gz LAFBWKFNORWJKO-SFHVURJKSA-N -1 0 407.264 3.361 20 0 HGADRM O=C([O-])[C@H](NC(=O)c1cccc(I)c1)c1cc(F)ccc1F ZINC000766954936 939077798 /nfs/dbraw/zinc/07/77/98/939077798.db2.gz QREIEVVBGCMZKZ-CYBMUJFWSA-N -1 0 417.149 3.125 20 0 HGADRM COc1ccc(C(=O)N[C@H](C(=O)[O-])c2cc(F)ccc2F)cc1Br ZINC000766960912 939081168 /nfs/dbraw/zinc/08/11/68/939081168.db2.gz IIKXHQASVCKWNE-AWEZNQCLSA-N -1 0 400.175 3.292 20 0 HGADRM CC[C@@](NC(=O)C1CCN(C(=O)/C=C\c2ccccc2)CC1)(C(=O)[O-])c1ccccc1 ZINC000766971565 939085290 /nfs/dbraw/zinc/08/52/90/939085290.db2.gz RRDISAWLBGUCCI-AHAAGLQNSA-N -1 0 420.509 3.445 20 0 HGADRM Cc1ccn2cc(C(=O)N[C@@](C)(C(=O)[O-])c3cccc(Br)c3)nc2c1 ZINC000776648891 939091384 /nfs/dbraw/zinc/09/13/84/939091384.db2.gz GAUQMBFSMFTIAG-GOSISDBHSA-N -1 0 402.248 3.135 20 0 HGADRM C[C@](NC(=O)C1=Cc2ccccc2OC1)(C(=O)[O-])c1cccc(Br)c1 ZINC000776648978 939091667 /nfs/dbraw/zinc/09/16/67/939091667.db2.gz JCACQHIUCBCWOI-LJQANCHMSA-N -1 0 402.244 3.341 20 0 HGADRM Cc1nn(C)c(C)c1C[C@@H](C)C(=O)N[C@](C)(C(=O)[O-])c1cccc(Br)c1 ZINC000776649036 939092436 /nfs/dbraw/zinc/09/24/36/939092436.db2.gz KYHXKRGTNZLYTG-WYRIXSBYSA-N -1 0 422.323 3.094 20 0 HGADRM C[C@](NC(=O)c1ccc2nccnc2c1)(C(=O)[O-])c1cccc(Br)c1 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ZINC000766957827 939079972 /nfs/dbraw/zinc/07/99/72/939079972.db2.gz ULVUZIODWGGRGO-INIZCTEOSA-N -1 0 406.776 3.063 20 0 HGADRM CC(=O)Nc1ccc(S[C@H](C)C(=O)N[C@H](C(=O)[O-])c2cc(F)ccc2F)cc1 ZINC000766957939 939080017 /nfs/dbraw/zinc/08/00/17/939080017.db2.gz UQBUSJJSDBQTEZ-QGHHPUGFSA-N -1 0 408.426 3.346 20 0 HGADRM Cc1c(C(=O)N[C@@H](C(=O)[O-])c2cc(F)ccc2F)nnn1-c1cccc(Cl)c1 ZINC000766957828 939080185 /nfs/dbraw/zinc/08/01/85/939080185.db2.gz ULVUZIODWGGRGO-MRXNPFEDSA-N -1 0 406.776 3.063 20 0 HGADRM COc1ccc(C)cc1-n1ccc(C(=O)N[C@@H](C(=O)[O-])c2cc(F)ccc2F)n1 ZINC000766961270 939081791 /nfs/dbraw/zinc/08/17/91/939081791.db2.gz MOCOEMSCCGNPEO-GOSISDBHSA-N -1 0 401.369 3.023 20 0 HGADRM O=C([O-])[C@H](NC(=O)C1CCC(NC(=O)C2CCCC2)CC1)c1cc(F)ccc1F ZINC000766962526 939083684 /nfs/dbraw/zinc/08/36/84/939083684.db2.gz ZYZREXMJCSOKSU-LEHRNKBSSA-N -1 0 408.445 3.072 20 0 HGADRM C[C@@](NC(=O)C1CCN(C(=O)/C=C\c2ccccc2)CC1)(C(=O)[O-])c1ccccc1 ZINC000766963001 939083841 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410.268 3.004 20 0 HGADRM C[C@](NC(=O)Cc1ccc2c(c1)CCO2)(C(=O)[O-])c1cccc(Br)c1 ZINC000776650504 939096114 /nfs/dbraw/zinc/09/61/14/939096114.db2.gz ATAVXDKJELTFNI-LJQANCHMSA-N -1 0 404.260 3.043 20 0 HGADRM C[C@@](NC(=O)[C@@H]1CCOc2ccccc21)(C(=O)[O-])c1cccc(Br)c1 ZINC000776651597 939097974 /nfs/dbraw/zinc/09/79/74/939097974.db2.gz LUNNDUHOAOLIFO-BEFAXECRSA-N -1 0 404.260 3.431 20 0 HGADRM CC(=O)c1cccc(OCC(=O)N[C@@](C)(C(=O)[O-])c2cccc(Br)c2)c1 ZINC000776651589 939098052 /nfs/dbraw/zinc/09/80/52/939098052.db2.gz LPWQHPFHKWVYSC-LJQANCHMSA-N -1 0 420.259 3.147 20 0 HGADRM COc1cccc(COCC(=O)N[C@](C)(C(=O)[O-])c2cccc(Br)c2)c1 ZINC000776652360 939099569 /nfs/dbraw/zinc/09/95/69/939099569.db2.gz RHEQJBXDNJJHOM-IBGZPJMESA-N -1 0 422.275 3.091 20 0 HGADRM COc1cccc(COCC(=O)N[C@@](C)(C(=O)[O-])c2cccc(Br)c2)c1 ZINC000776652361 939099611 /nfs/dbraw/zinc/09/96/11/939099611.db2.gz RHEQJBXDNJJHOM-LJQANCHMSA-N -1 0 422.275 3.091 20 0 HGADRM COc1cc(/C=C/C(=O)NC2(C(=O)[O-])CCC2)ccc1OCc1c(C)noc1C 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/nfs/dbraw/zinc/10/49/20/939104920.db2.gz DYFQXNCSNWFIOS-HNNXBMFYSA-N -1 0 402.850 3.368 20 0 HGADRM C[C@H](CN(C)C(=O)OC(C)(C)C)C(=O)N[C@H](C(=O)[O-])c1ccc(Cl)c(F)c1 ZINC000776688293 939105487 /nfs/dbraw/zinc/10/54/87/939105487.db2.gz NULYCSAUDWKIGI-YGRLFVJLSA-N -1 0 402.850 3.224 20 0 HGADRM O=C([O-])[C@H](NC(=O)NC[C@@H](c1ccc(Cl)cc1)N1CCOCC1)C1CCCCC1 ZINC000780485630 939128275 /nfs/dbraw/zinc/12/82/75/939128275.db2.gz FHPYRXWMKLRRPF-RBUKOAKNSA-N -1 0 423.941 3.046 20 0 HGADRM O=C([O-])C1(NC(=O)NCc2cc(Br)ccc2OC(F)F)CCCC1 ZINC000780508825 939130167 /nfs/dbraw/zinc/13/01/67/939130167.db2.gz PEXIEOHFCZXMSL-UHFFFAOYSA-N -1 0 407.211 3.247 20 0 HGADRM C[C@](NC(=O)NC[C@H](c1ccc(Cl)cc1)N1CCOC(C)(C)C1)(C(=O)[O-])C1CC1 ZINC000780548424 939132495 /nfs/dbraw/zinc/13/24/95/939132495.db2.gz ZCDISIOWFHVGSF-DYESRHJHSA-N -1 0 423.941 3.044 20 0 HGADRM O=C([O-])[C@@H](NC(=O)N[C@H]1CCCN(Cc2c(F)cccc2F)C1)c1ccccc1 ZINC000780570386 939134721 /nfs/dbraw/zinc/13/47/21/939134721.db2.gz IPUFGYHVJCIVFS-KXBFYZLASA-N -1 0 403.429 3.054 20 0 HGADRM COc1ccc(C(=O)N2CCC[C@H](C(=O)NC3(C(=O)[O-])CCCC3)C2)c2ccccc12 ZINC000427333387 939145418 /nfs/dbraw/zinc/14/54/18/939145418.db2.gz YPDKDIXOZOIIBE-INIZCTEOSA-N -1 0 424.497 3.214 20 0 HGADRM C[C@@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)N[C@@H](C(=O)[O-])c2ccccc2)cc1 ZINC000428078535 939148618 /nfs/dbraw/zinc/14/86/18/939148618.db2.gz NLJOSVDUOMMHEE-DRSNIGMVSA-N -1 0 424.497 3.411 20 0 HGADRM O=C([O-])[C@H](NC(=O)c1ccc(-c2ccco2)[nH]c1=O)c1ccc(Br)cc1 ZINC000431431631 939150007 /nfs/dbraw/zinc/15/00/07/939150007.db2.gz PDBBOTMXNPVHGR-OAHLLOKOSA-N -1 0 417.215 3.365 20 0 HGADRM CO[C@@H](C)c1nc(C)c(C(=O)N[C@H](C(=O)[O-])c2ccc(Br)cc2)s1 ZINC000431440701 939151041 /nfs/dbraw/zinc/15/10/41/939151041.db2.gz LFHPQJVJZFFOAR-CABZTGNLSA-N -1 0 413.293 3.477 20 0 HGADRM O=C([O-])[C@H](NC(=O)c1ccncc1Br)c1ccc(Br)cc1 ZINC000431446041 939151548 /nfs/dbraw/zinc/15/15/48/939151548.db2.gz PVVRRUYYVTVCJO-GFCCVEGCSA-N -1 0 414.053 3.162 20 0 HGADRM CC[C@](NC(=O)c1nnn(-c2cccc3cccnc32)c1C)(C(=O)[O-])c1ccccc1 ZINC000431447507 939151666 /nfs/dbraw/zinc/15/16/66/939151666.db2.gz HKZVKECNIGQXTC-HSZRJFAPSA-N -1 0 415.453 3.244 20 0 HGADRM CC[C@](NC(=O)c1cccc(NC(=O)c2cccnc2)c1)(C(=O)[O-])c1ccccc1 ZINC000431450234 939151976 /nfs/dbraw/zinc/15/19/76/939151976.db2.gz DDMQSCZJUKUBJW-HSZRJFAPSA-N -1 0 403.438 3.454 20 0 HGADRM Cc1nc(COc2cccc(C(=O)N[C@H](C(=O)[O-])c3ccc(Cl)c(F)c3)c2)no1 ZINC000431768610 939152714 /nfs/dbraw/zinc/15/27/14/939152714.db2.gz LJJMXEUDBLQOAI-KRWDZBQOSA-N -1 0 419.796 3.305 20 0 HGADRM CC(C)(C)Cc1noc2nc(C3CC3)cc(C(=O)N[C@]3(C(=O)[O-])CCSC3)c12 ZINC000431768018 939152727 /nfs/dbraw/zinc/15/27/27/939152727.db2.gz BZNDBUXPVUBBBK-HXUWFJFHSA-N -1 0 403.504 3.379 20 0 HGADRM CCCCOCCCNC(=O)N[C@](C)(C(=O)[O-])c1cccc(Br)c1 ZINC000797703456 939159726 /nfs/dbraw/zinc/15/97/26/939159726.db2.gz WYQRGXDOSOGZKW-KRWDZBQOSA-N -1 0 401.301 3.255 20 0 HGADRM COc1ccc([C@H](NC(=O)CCc2cc(F)ccc2Br)C(=O)[O-])cc1 ZINC000431799722 939160017 /nfs/dbraw/zinc/16/00/17/939160017.db2.gz UZLKMQXYADMWQM-KRWDZBQOSA-N -1 0 410.239 3.472 20 0 HGADRM COc1cccc2[nH]cc(CC(=O)N[C@@H](C(=O)[O-])c3ccc(OC(F)F)cc3)c21 ZINC000431801000 939160336 /nfs/dbraw/zinc/16/03/36/939160336.db2.gz NGCOWWPPPRXMDP-GOSISDBHSA-N -1 0 404.369 3.263 20 0 HGADRM Cc1nn(-c2cccc(Cl)c2)c2sc(C(=O)N[C@]3(C(=O)[O-])CCOC3)cc12 ZINC000431801798 939160353 /nfs/dbraw/zinc/16/03/53/939160353.db2.gz QDTGGTQNEZUGPC-GOSISDBHSA-N -1 0 405.863 3.022 20 0 HGADRM COc1ccc([C@@H](NC(=O)c2cc(C3CC3)nc3c2cnn3C(C)C)C(=O)[O-])cc1 ZINC000431805239 939160785 /nfs/dbraw/zinc/16/07/85/939160785.db2.gz QXTMUYGOEFOPCX-LJQANCHMSA-N -1 0 408.458 3.454 20 0 HGADRM Cc1ccc(CCC(=O)NCC(=O)N[C@@H](C(=O)[O-])c2ccc3ccccc3c2)cc1 ZINC000431864807 939164315 /nfs/dbraw/zinc/16/43/15/939164315.db2.gz LNJKECMCGQFZJS-HSZRJFAPSA-N -1 0 404.466 3.139 20 0 HGADRM COc1ccc(-n2nnc(C(=O)N[C@H](C(=O)[O-])c3ccc4ccccc4c3)c2C)cc1 ZINC000431874743 939166559 /nfs/dbraw/zinc/16/65/59/939166559.db2.gz 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O=C([O-])[C@@H](NC(=O)NCCOc1ccc2c(c1)OCO2)c1cccc2ccccc21 ZINC000797713514 939173034 /nfs/dbraw/zinc/17/30/34/939173034.db2.gz KISVLAGLTFKHMX-FQEVSTJZSA-N -1 0 408.410 3.072 20 0 HGADRM CC(C)Oc1ccc(-c2nc(C(=O)N[C@@H](C(=O)[O-])[C@H]3CCCOC3)cs2)cc1 ZINC000432108590 939175339 /nfs/dbraw/zinc/17/53/39/939175339.db2.gz DHIRRGDAMBWBBF-WMLDXEAASA-N -1 0 404.488 3.207 20 0 HGADRM CC(C)(CNC(=O)N[C@@H](C(=O)[O-])c1cc(F)ccc1F)c1ccc2c(c1)OCO2 ZINC000797716987 939178388 /nfs/dbraw/zinc/17/83/88/939178388.db2.gz GSDCQCAECODBEV-QGZVFWFLSA-N -1 0 406.385 3.096 20 0 HGADRM Cc1cc(-c2cc(C(=O)N[C@@H](C(=O)[O-])[C@H]3CCCOC3)c3c(C)noc3n2)c(C)o1 ZINC000432118925 939178677 /nfs/dbraw/zinc/17/86/77/939178677.db2.gz YZBVSZRZRKZANF-SCLBCKFNSA-N -1 0 413.430 3.018 20 0 HGADRM O=C([O-])[C@@H](NC(=O)c1cccc(-n2nccc2-c2ccccc2)c1)[C@@H]1CCCOC1 ZINC000432122185 939179884 /nfs/dbraw/zinc/17/98/84/939179884.db2.gz KCRRVNFFQMWSBE-NQIIRXRSSA-N -1 0 405.454 3.149 20 0 HGADRM 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ZINC000531742274 939258572 /nfs/dbraw/zinc/25/85/72/939258572.db2.gz SEKVVHFPBHOAOA-UHFFFAOYSA-N -1 0 423.900 3.423 20 0 HGADRM O=C([O-])[C@@H](NC(=O)C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1)C1CC1 ZINC000531748259 939259725 /nfs/dbraw/zinc/25/97/25/939259725.db2.gz ZILKLLMERWBTEB-HKUYNNGSSA-N -1 0 400.862 3.181 20 0 HGADRM O=C([O-])C1(NC(=O)[C@@H]2CCCN(C(=O)c3ccccc3OC(F)F)C2)CCCCC1 ZINC000532252043 939260931 /nfs/dbraw/zinc/26/09/31/939260931.db2.gz DCPGJWFGQWFHLU-CQSZACIVSA-N -1 0 424.444 3.044 20 0 HGADRM Cc1nn(-c2ccc(C(=O)NC3(C(=O)[O-])Cc4ccccc4C3)cc2)c(C)c1Cl ZINC000532592610 939263491 /nfs/dbraw/zinc/26/34/91/939263491.db2.gz LCQOFLLHEGQWKR-UHFFFAOYSA-N -1 0 409.873 3.495 20 0 HGADRM Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1[C@@H](NC(=O)c1cccn1C)C(=O)[O-] ZINC000537400599 939267037 /nfs/dbraw/zinc/26/70/37/939267037.db2.gz CDPAZEJQWKTFCP-QGZVFWFLSA-N -1 0 420.391 3.402 20 0 HGADRM CC(=O)c1cccc(O[C@H](C)C(=O)N[C@H](C(=O)[O-])c2ccc(OC(F)F)cc2)c1 ZINC000537401149 939267187 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ZINC000684724973 939872910 /nfs/dbraw/zinc/87/29/10/939872910.db2.gz DUABOLGKWCVMON-LIRRHRJNSA-N -1 0 417.893 3.300 20 0 HGADRM O=C([O-])[C@]1(NC(=O)NC[C@H]2CCN(c3ccc(F)c(F)c3)C2)CCc2ccccc21 ZINC000684726525 939873170 /nfs/dbraw/zinc/87/31/70/939873170.db2.gz LPODZJZJRZHTKI-PEBXRYMYSA-N -1 0 415.440 3.017 20 0 HGADRM O=C([O-])[C@H](NC(=O)NCC1(c2ccc(F)cc2)CCOCC1)c1ccccc1F ZINC000684726734 939873256 /nfs/dbraw/zinc/87/32/56/939873256.db2.gz VBDGIRZEFLVJIE-GOSISDBHSA-N -1 0 404.413 3.138 20 0 HGADRM COc1ccc(Cl)cc1N1CC[C@H](NC(=O)N[C@@H](C(=O)[O-])c2ccccc2F)C1 ZINC000684729433 939873804 /nfs/dbraw/zinc/87/38/04/939873804.db2.gz WAHMNTSZIBFVHH-SCLBCKFNSA-N -1 0 421.856 3.192 20 0 HGADRM CCOc1ccccc1CCNC(=O)N[C@@H](C(=O)[O-])c1ccc(OC(F)F)cc1 ZINC000684729337 939873839 /nfs/dbraw/zinc/87/38/39/939873839.db2.gz SWCFSKFNMTXCND-QGZVFWFLSA-N -1 0 408.401 3.354 20 0 HGADRM Cc1cnn(C[C@H](NCc2csc(-c3cccc(Br)c3)n2)C(=O)[O-])c1 ZINC000426755985 1126087827 /nfs/dbraw/zinc/08/78/27/1126087827.db2.gz HERXJXGEBZHNAF-HNNXBMFYSA-N -1 0 421.320 3.321 20 0 HGADRM O=C([O-])[C@H](Cc1cn(-c2ccccc2)nn1)NCc1csc(-c2ccsc2)n1 ZINC001339024557 1126181057 /nfs/dbraw/zinc/18/10/57/1126181057.db2.gz LDGSRYZRIRLYJD-KRWDZBQOSA-N -1 0 411.512 3.238 20 0 HGADRM O=C([O-])c1nn(Cc2csc(COc3ccc(F)cc3)n2)c(=O)c2ccccc21 ZINC000014845789 558674589 /nfs/dbraw/zinc/67/45/89/558674589.db2.gz QGDUOIZMAASSJF-UHFFFAOYSA-N -1 0 411.414 3.318 20 0 HGADRM O=C([O-])c1nn(CC(=O)Nc2ccc(SC(F)F)cc2)c(=O)c2ccccc21 ZINC000003271179 568870528 /nfs/dbraw/zinc/87/05/28/568870528.db2.gz IQMVMEIIXVJQNH-UHFFFAOYSA-N -1 0 405.382 3.048 20 0 HGADRM CCCCCC(=O)Nc1ccc(C(=O)Cn2nc(C(=O)[O-])c3ccccc3c2=O)cc1 ZINC000009113682 571223980 /nfs/dbraw/zinc/22/39/80/571223980.db2.gz XHUJJHDVTAXZOB-UHFFFAOYSA-N -1 0 421.453 3.496 20 0 HGADRM