smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cscc1C(=O)NCC(=O)c1ccc([O-])c(O)c1 ZINC001188311589 744687901 /nfs/dbraw/zinc/68/79/01/744687901.db2.gz BCQKGLVKGICNIW-UHFFFAOYSA-N -1 1 307.327 1.781 20 10 DDCDMM Cc1cc(C(=O)NCC(=O)c2ccc([O-])c(O)c2)cc(=O)[nH]1 ZINC001192237703 745734577 /nfs/dbraw/zinc/73/45/77/745734577.db2.gz ABVTUUAGVGFRLZ-UHFFFAOYSA-N -1 1 302.286 1.120 20 10 DDCDMM O=C(NC1(c2cccnn2)CC1)c1ccc(O)c([O-])c1Cl ZINC001193236709 746026405 /nfs/dbraw/zinc/02/64/05/746026405.db2.gz OBHDCHSIHKMBKI-UHFFFAOYSA-N -1 1 305.721 1.960 20 10 DDCDMM O=C(NCCOc1ccncc1)c1ccc(O)c([O-])c1Cl ZINC001193255127 746031292 /nfs/dbraw/zinc/03/12/92/746031292.db2.gz ONPNLUSRHSLARU-UHFFFAOYSA-N -1 1 308.721 1.955 20 10 DDCDMM COC(=O)c1cc(C)nc(NCC(=O)c2ccc([O-])c(O)c2)n1 ZINC001170314232 766245579 /nfs/dbraw/zinc/24/55/79/766245579.db2.gz UKALBUVFHHVESK-UHFFFAOYSA-N -1 1 317.301 1.278 20 10 DDCDMM COc1ncc(OC)c(NCC(=O)c2ccc([O-])c(O)c2)n1 ZINC001170316908 766247415 /nfs/dbraw/zinc/24/74/15/766247415.db2.gz UWMNWUPSJOFIBM-UHFFFAOYSA-N -1 1 305.290 1.200 20 10 DDCDMM CCOc1nc(NCC(=O)c2ccc([O-])c(O)c2)ncc1OC ZINC001170316799 766247507 /nfs/dbraw/zinc/24/75/07/766247507.db2.gz OUQWYLNNIFGFPK-UHFFFAOYSA-N -1 1 319.317 1.590 20 10 DDCDMM CC1=C(C(=O)NCC(=O)c2ccc([O-])c(O)c2)SC(C)N1 ZINC001147745601 773229541 /nfs/dbraw/zinc/22/95/41/773229541.db2.gz NOIWPRXZNVIWRT-UHFFFAOYSA-N -1 1 307.351 1.474 20 10 DDCDMM CC(C)CN1C(=O)COCC12CN(Cc1cccc(F)c1[O-])C2 ZINC001273304768 849377462 /nfs/dbraw/zinc/37/74/62/849377462.db2.gz QOMPWZVQQITYPF-UHFFFAOYSA-N -1 1 322.380 1.601 20 10 DDCDMM CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2ccns2)c1 ZINC001150093827 862082373 /nfs/dbraw/zinc/08/23/73/862082373.db2.gz GLRIVQUUWKZOAN-UHFFFAOYSA-N -1 1 313.360 1.473 20 10 DDCDMM O=C(CNC(=O)c1cnc2cc[nH]c2c1)c1ccc([O-])c(O)c1 ZINC001150907810 862526890 /nfs/dbraw/zinc/52/68/90/862526890.db2.gz IHPZCLKEGYVDSW-UHFFFAOYSA-N -1 1 311.297 1.587 20 10 DDCDMM O=C(N[C@@H]1CCO[C@]2(CCOC2)C1)c1c(F)ccc(O)c1[O-] ZINC001161091904 866367976 /nfs/dbraw/zinc/36/79/76/866367976.db2.gz JCSNLQNNDBOJHA-RFAUZJTJSA-N -1 1 311.309 1.305 20 10 DDCDMM CC1(C)CN(C2CN(Cc3c([O-])ccc(F)c3F)C2)CCO1 ZINC001233334951 886928301 /nfs/dbraw/zinc/92/83/01/886928301.db2.gz AUZISZOGFMYTSA-UHFFFAOYSA-N -1 1 312.360 1.965 20 10 DDCDMM COC(=O)[C@@]1(C)COCCN1Cc1c([O-])ccc(F)c1Cl ZINC001237125302 889513064 /nfs/dbraw/zinc/51/30/64/889513064.db2.gz CIIGSYYTVFBQKO-CQSZACIVSA-N -1 1 317.744 1.949 20 10 DDCDMM COc1c([O-])c(CN2CCOC[C@H]2C2CC2)ccc1[N+](=O)[O-] ZINC000278162066 409076685 /nfs/dbraw/zinc/07/66/85/409076685.db2.gz DTSVLWOLKUGZEU-ZDUSSCGKSA-N -1 1 308.334 1.920 20 10 DDCDMM COc1c([O-])c(CN(C)Cc2nncn2C)ccc1[N+](=O)[O-] ZINC000290185584 536860891 /nfs/dbraw/zinc/86/08/91/536860891.db2.gz OCCVQQIDSACQNF-UHFFFAOYSA-N -1 1 307.310 1.070 20 10 DDCDMM Cc1noc(CCCC(=O)OCC(=O)c2ccc([O-])c(O)c2)n1 ZINC000782815209 698770858 /nfs/dbraw/zinc/77/08/58/698770858.db2.gz FYWPPWKDUTXUCT-UHFFFAOYSA-N -1 1 320.301 1.538 20 10 DDCDMM O=C(/C=C\C1CCOCC1)OCC(=O)c1ccc([O-])c(O)c1 ZINC000783631042 698863296 /nfs/dbraw/zinc/86/32/96/698863296.db2.gz ORTHSYKBOLVDDM-RJRFIUFISA-N -1 1 306.314 1.807 20 10 DDCDMM C[C@@H](C(=O)OCC(=O)c1ccc([O-])c(O)c1)c1cnn(C)c1 ZINC000784032927 698904228 /nfs/dbraw/zinc/90/42/28/698904228.db2.gz HAZQGTQMULYVBX-SECBINFHSA-N -1 1 304.302 1.361 20 10 DDCDMM O=C(COC(=O)c1cc(O)cc(O)c1)c1ccc([O-])c(O)c1 ZINC000784469178 698940829 /nfs/dbraw/zinc/94/08/29/698940829.db2.gz FJGGDEFRPNARTB-UHFFFAOYSA-N -1 1 304.254 1.549 20 10 DDCDMM COc1c([O-])c(CN(C)[C@H]2CC(C)(C)OC2=O)ccc1[N+](=O)[O-] ZINC000814179180 702491598 /nfs/dbraw/zinc/49/15/98/702491598.db2.gz ADJIUIQADKFLNM-NSHDSACASA-N -1 1 324.333 1.835 20 10 DDCDMM CCCN(Cc1ccc(F)c(F)c1[O-])[C@H]1CC(=O)N(C)C1=O ZINC000877503130 706125450 /nfs/dbraw/zinc/12/54/50/706125450.db2.gz BYPSSAUZJMNQRS-NSHDSACASA-N -1 1 312.316 1.640 20 10 DDCDMM CC1(O)CC(C(=O)NCc2cccc(Br)c2[O-])C1 ZINC000830530401 706531866 /nfs/dbraw/zinc/53/18/66/706531866.db2.gz ZWHZKGFCDNMWSD-UHFFFAOYSA-N -1 1 314.179 1.932 20 10 DDCDMM CC(=O)N1CSC[C@@H]1C(=O)NCc1cccc(Cl)c1[O-] ZINC000890758034 709978935 /nfs/dbraw/zinc/97/89/35/709978935.db2.gz QKGJJBHTRHCARA-LLVKDONJSA-N -1 1 314.794 1.583 20 10 DDCDMM CO[C@@H](C(=O)NCc1cccc(Cl)c1[O-])c1cnn(C)c1 ZINC000890759761 709979365 /nfs/dbraw/zinc/97/93/65/709979365.db2.gz QOPXCNIEEGVJRM-CYBMUJFWSA-N -1 1 309.753 1.783 20 10 DDCDMM CCCCS(=O)(=O)CC(=O)NCc1cccc(Cl)c1[O-] ZINC000890763140 709980918 /nfs/dbraw/zinc/98/09/18/709980918.db2.gz OTJDTIACRQQMRL-UHFFFAOYSA-N -1 1 319.810 1.877 20 10 DDCDMM O=S(=O)(Nc1cc(F)c([O-])cc1Cl)N1CCCOCC1 ZINC000901962244 710186395 /nfs/dbraw/zinc/18/63/95/710186395.db2.gz DVOMQWKKWDMWMG-UHFFFAOYSA-N -1 1 324.761 1.564 20 10 DDCDMM Cc1n[nH]c(C)c1S(=O)(=O)NCc1cccc(Cl)c1[O-] ZINC000908328203 712742924 /nfs/dbraw/zinc/74/29/24/712742924.db2.gz ISKNWCNYOKHGBL-UHFFFAOYSA-N -1 1 315.782 1.864 20 10 DDCDMM C[C@@H]1CN(C2CN(Cc3cc(F)c(F)cc3[O-])C2)C[C@@H](C)O1 ZINC001142534457 742149534 /nfs/dbraw/zinc/14/95/34/742149534.db2.gz KHBUDJMFUYRSCQ-GHMZBOCLSA-N -1 1 312.360 1.964 20 10 DDCDMM CN(C)c1nc(CNC(=O)c2c(F)ccc(O)c2[O-])cs1 ZINC001182879283 743742799 /nfs/dbraw/zinc/74/27/99/743742799.db2.gz VRHSWZJNHBCJGF-UHFFFAOYSA-N -1 1 311.338 1.689 20 10 DDCDMM CCOC(=O)C(C)(C)S(=O)(=O)[N-]c1ccc(O)c(F)c1 ZINC001193052238 745973667 /nfs/dbraw/zinc/97/36/67/745973667.db2.gz QQDGZXNBWDUAKA-UHFFFAOYSA-N -1 1 305.327 1.615 20 10 DDCDMM COC(=O)c1ccc(N)c(NCC(=O)c2ccc([O-])c(O)c2)c1 ZINC001170315004 766246561 /nfs/dbraw/zinc/24/65/61/766246561.db2.gz OMNIBOJBDVHFML-UHFFFAOYSA-N -1 1 316.313 1.761 20 10 DDCDMM [O-]c1c(Cl)cc(Cl)cc1CN1CC[C@H](CO)[C@@H](O)C1 ZINC001203573681 870648058 /nfs/dbraw/zinc/64/80/58/870648058.db2.gz FCEHQVJTCAUCDU-PELKAZGASA-N -1 1 306.189 1.874 20 10 DDCDMM CN(C[C@@H](O)Cc1ccccc1)C(=O)c1c([O-])c(O)ccc1F ZINC001306852140 871365685 /nfs/dbraw/zinc/36/56/85/871365685.db2.gz OIYBFEFCGRHJSL-LBPRGKRZSA-N -1 1 319.332 1.913 20 10 DDCDMM COc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(N)c(N)c1 ZINC001213097395 875831087 /nfs/dbraw/zinc/83/10/87/875831087.db2.gz MBMWUHPHNLPWNR-UHFFFAOYSA-N -1 1 309.347 1.366 20 10 DDCDMM NC(=O)c1[nH]nc2c1CCN(Cc1c(F)ccc(F)c1[O-])C2 ZINC001276942741 881198995 /nfs/dbraw/zinc/19/89/95/881198995.db2.gz XQXRPDVTKYDLQW-UHFFFAOYSA-N -1 1 308.288 1.051 20 10 DDCDMM O=C([O-])c1ccc(O)c(CN2CCN(c3cncnc3)CC2)c1 ZINC001231566138 885740257 /nfs/dbraw/zinc/74/02/57/885740257.db2.gz RPCFWMNDLSYTSG-UHFFFAOYSA-N -1 1 314.345 1.203 20 10 DDCDMM CN(C)CCNS(=O)(=O)c1cc(Cl)cc(Cl)c1[O-] ZINC001251383588 894699680 /nfs/dbraw/zinc/69/96/80/894699680.db2.gz AZTRHDWDVBKWNY-UHFFFAOYSA-N -1 1 313.206 1.539 20 10 DDCDMM Cc1nc(S(=O)(=O)[N-]c2cc(F)c(O)cc2F)cn1C ZINC001260549013 899166455 /nfs/dbraw/zinc/16/64/55/899166455.db2.gz UOOHVPNNBCKFKZ-UHFFFAOYSA-N -1 1 303.290 1.513 20 10 DDCDMM COc1c([O-])c(CN(C)CC(=O)NC(C)C)ccc1[N+](=O)[O-] ZINC000278151388 409073788 /nfs/dbraw/zinc/07/37/88/409073788.db2.gz CIGXOZRRPDYXGJ-UHFFFAOYSA-N -1 1 311.338 1.265 20 10 DDCDMM O=C(c1c(F)ccc(O)c1[O-])N1CCN(Cc2ccco2)CC1 ZINC000294988265 409307279 /nfs/dbraw/zinc/30/72/79/409307279.db2.gz HKOCGJPPCAVPLV-UHFFFAOYSA-N -1 1 320.320 1.788 20 10 DDCDMM O=C(Cn1c(=O)onc1-c1cccnc1)c1ccc([O-])c(O)c1 ZINC000076699139 696432678 /nfs/dbraw/zinc/43/26/78/696432678.db2.gz XOKWVRORYUFQRT-UHFFFAOYSA-N -1 1 313.269 1.192 20 10 DDCDMM CCN1CCCC[C@@H]1C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000783777311 698877344 /nfs/dbraw/zinc/87/73/44/698877344.db2.gz OTDRSAPJWHJIAW-GFCCVEGCSA-N -1 1 307.346 1.698 20 10 DDCDMM O=C(CCOCC(F)F)OCC(=O)c1ccc([O-])c(O)c1 ZINC000784935929 699048681 /nfs/dbraw/zinc/04/86/81/699048681.db2.gz DBQHRYXVYNRANV-UHFFFAOYSA-N -1 1 304.245 1.496 20 10 DDCDMM CSc1c(C(=O)OCC(=O)c2ccc([O-])c(O)c2)cnn1C ZINC000784942560 699049181 /nfs/dbraw/zinc/04/91/81/699049181.db2.gz LMQBAUIGVZSLAN-UHFFFAOYSA-N -1 1 322.342 1.593 20 10 DDCDMM CN(C)c1ccc(CNC(=O)c2c(F)ccc(O)c2[O-])cn1 ZINC000789953837 699425323 /nfs/dbraw/zinc/42/53/23/699425323.db2.gz WQDUCGQNXPHCJO-UHFFFAOYSA-N -1 1 305.309 1.628 20 10 DDCDMM CCc1cc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])n[nH]1 ZINC000728071528 699436789 /nfs/dbraw/zinc/43/67/89/699436789.db2.gz SCAILQRGPZPVAU-UHFFFAOYSA-N -1 1 324.362 1.302 20 10 DDCDMM Cc1cnc(OCC(=O)c2ccc([O-])c(O)c2)c([N+](=O)[O-])c1 ZINC000767205094 701089631 /nfs/dbraw/zinc/08/96/31/701089631.db2.gz NDOCBLLAMCCHER-UHFFFAOYSA-N -1 1 304.258 1.971 20 10 DDCDMM COc1ccc(N2CC[C@H](NC(=O)c3ncccc3[O-])C2)cc1 ZINC000855224607 704473935 /nfs/dbraw/zinc/47/39/35/704473935.db2.gz GIZNKABWICVBDN-LBPRGKRZSA-N -1 1 313.357 1.805 20 10 DDCDMM CN1CCN(Cc2cc(Cl)cc(Cl)c2[O-])[C@@H](CO)C1 ZINC000877644777 706168063 /nfs/dbraw/zinc/16/80/63/706168063.db2.gz TYTDCVUVGYIRIV-LLVKDONJSA-N -1 1 305.205 1.807 20 10 DDCDMM CO[C@@H](CCNC(=O)c1c(F)ccc(O)c1[O-])C(F)(F)F ZINC000830057329 706446820 /nfs/dbraw/zinc/44/68/20/706446820.db2.gz QDAWUMPVOZQBFT-QMMMGPOBSA-N -1 1 311.231 1.934 20 10 DDCDMM C[C@H](NC(=O)c1c(F)ccc(O)c1[O-])c1nnnn1C1CC1 ZINC000830347765 706500318 /nfs/dbraw/zinc/50/03/18/706500318.db2.gz BHNPTSRIKMQTOR-LURJTMIESA-N -1 1 307.285 1.049 20 10 DDCDMM Cn1cc(C2=CCCN(C(=O)c3c([O-])c(O)ccc3F)C2)cn1 ZINC000898660458 708827914 /nfs/dbraw/zinc/82/79/14/708827914.db2.gz VCLYIQLGCWJDLI-UHFFFAOYSA-N -1 1 317.320 1.900 20 10 DDCDMM O=C(CN1CSCC1=O)NCc1cccc(Cl)c1[O-] ZINC000890757938 709978975 /nfs/dbraw/zinc/97/89/75/709978975.db2.gz NNQOBCZDALWVEG-UHFFFAOYSA-N -1 1 300.767 1.195 20 10 DDCDMM O=C(NCc1cccc(Cl)c1[O-])[C@@H]1CC(=O)N(C2CC2)C1 ZINC000890757540 709979261 /nfs/dbraw/zinc/97/92/61/709979261.db2.gz HCHDQKFMPSSHMF-SNVBAGLBSA-N -1 1 308.765 1.673 20 10 DDCDMM C[C@H](NCc1cc(Cl)cc(F)c1[O-])C1N=NC(=O)N1C ZINC000895176274 711443631 /nfs/dbraw/zinc/44/36/31/711443631.db2.gz NGVVFDVWXTYUMO-LURJTMIESA-N -1 1 300.721 1.870 20 10 DDCDMM O=C(NCC[C@]1(O)CCOC1)NCc1cccc(Cl)c1[O-] ZINC000895560818 711541993 /nfs/dbraw/zinc/54/19/93/711541993.db2.gz TVJJGMKHLKPTFR-AWEZNQCLSA-N -1 1 314.769 1.386 20 10 DDCDMM CCn1nncc1CNC(=O)NCc1cccc(Cl)c1[O-] ZINC000895940353 711651967 /nfs/dbraw/zinc/65/19/67/711651967.db2.gz ZYZOOKYTEDIBTD-UHFFFAOYSA-N -1 1 309.757 1.656 20 10 DDCDMM COC(=O)[C@@H](F)CNC(=O)NCc1cccc(Cl)c1[O-] ZINC000896537575 711743535 /nfs/dbraw/zinc/74/35/35/711743535.db2.gz MTXMKSLCHMBWNW-VIFPVBQESA-N -1 1 304.705 1.356 20 10 DDCDMM CCc1onc(C)c1C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000916620875 713461405 /nfs/dbraw/zinc/46/14/05/713461405.db2.gz KMKHGJHGKAVVBE-UHFFFAOYSA-N -1 1 305.286 1.996 20 10 DDCDMM O=C(Nc1nc(C2=S=CC=C2)n[n-]1)c1ccnn1C1CCC1 ZINC000931797300 714187507 /nfs/dbraw/zinc/18/75/07/714187507.db2.gz SZKRCUGUDDRJRY-UHFFFAOYSA-N -1 1 314.374 1.604 20 10 DDCDMM COc1c([O-])c(CN[C@H](CCO)C(F)(F)F)ccc1[N+](=O)[O-] ZINC001183844812 743917638 /nfs/dbraw/zinc/91/76/38/743917638.db2.gz MYQBURLZTOUURD-SECBINFHSA-N -1 1 324.255 1.712 20 10 DDCDMM C[C@@H](NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)c1ccccc1O ZINC001184140676 743975122 /nfs/dbraw/zinc/97/51/22/743975122.db2.gz JTWRBMGSFZKYIB-MRVPVSSYSA-N -1 1 303.274 1.892 20 10 DDCDMM COc1cc([N-]S(=O)(=O)c2cc(F)ccc2N)ccc1O ZINC001174542850 777502831 /nfs/dbraw/zinc/50/28/31/777502831.db2.gz JPXDHUVRWSXKAW-UHFFFAOYSA-N -1 1 312.322 1.923 20 10 DDCDMM C[C@@H](CC(=O)NCC(=O)c1ccc([O-])c(O)c1)C(F)(F)F ZINC001180094737 779603439 /nfs/dbraw/zinc/60/34/39/779603439.db2.gz XENBKIDTPDBMES-ZETCQYMHSA-N -1 1 305.252 1.985 20 10 DDCDMM COc1ccc(CNC(=O)c2cnc(SC)[n-]c2=O)c(O)c1 ZINC001139032776 860259097 /nfs/dbraw/zinc/25/90/97/860259097.db2.gz PYBFVMNOMICIHX-UHFFFAOYSA-N -1 1 321.358 1.548 20 10 DDCDMM Cc1cc(=O)oc2c1ccc([O-])c2CN1CCCN(C)C(=O)C1 ZINC001139129371 860297654 /nfs/dbraw/zinc/29/76/54/860297654.db2.gz XIOVXTYIJOUJRB-UHFFFAOYSA-N -1 1 316.357 1.471 20 10 DDCDMM CCOC(=O)[C@H]1CN(Cc2cc(F)c(F)cc2[O-])CCO1 ZINC001142525009 861169667 /nfs/dbraw/zinc/16/96/67/861169667.db2.gz 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NC(=O)CN1CCN(Cc2c([O-])ccc(Cl)c2Cl)CC1 ZINC001237085027 889497778 /nfs/dbraw/zinc/49/77/78/889497778.db2.gz RTUNYNAREGQJMA-UHFFFAOYSA-N -1 1 318.204 1.302 20 10 DDCDMM COc1c([O-])c(CN[C@@H](C)c2ncn(C)n2)ccc1[N+](=O)[O-] ZINC000775097743 697962621 /nfs/dbraw/zinc/96/26/21/697962621.db2.gz LXMCTLFDIGIGFK-QMMMGPOBSA-N -1 1 307.310 1.288 20 10 DDCDMM C[C@](O)(CC(=O)OCC(=O)c1ccc([O-])c(O)c1)C(F)(F)F ZINC000782660791 698757754 /nfs/dbraw/zinc/75/77/54/698757754.db2.gz WGGAOIFHXZQVMG-LBPRGKRZSA-N -1 1 322.235 1.527 20 10 DDCDMM COCCONC(=O)NCc1cccc(Br)c1[O-] ZINC000789339965 699379302 /nfs/dbraw/zinc/37/93/02/699379302.db2.gz WHALSSUBPXQASY-UHFFFAOYSA-N -1 1 319.155 1.532 20 10 DDCDMM C[C@@H]([N-]S(=O)(=O)N=S1(=O)CCCC1)c1ccccc1O ZINC000867835122 701783798 /nfs/dbraw/zinc/78/37/98/701783798.db2.gz UNQSNDATWZGEJT-SNVBAGLBSA-N -1 1 318.420 1.549 20 10 DDCDMM O=C([O-])CN1CCC([NH2+]Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000874049637 704926661 /nfs/dbraw/zinc/92/66/61/704926661.db2.gz 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ZINC001193236638 746026698 /nfs/dbraw/zinc/02/66/98/746026698.db2.gz KQIOWOWLZAKDGJ-UHFFFAOYSA-N -1 1 309.709 1.480 20 10 DDCDMM O=C(CNC(=O)c1nccn1CC1CC1)c1ccc([O-])c(O)c1 ZINC001199452259 747845325 /nfs/dbraw/zinc/84/53/25/747845325.db2.gz QEJZLGSMYVHACX-UHFFFAOYSA-N -1 1 315.329 1.317 20 10 DDCDMM COc1cnc(C(=O)NCC(=O)c2ccc([O-])c(O)c2)c(C)c1 ZINC001199755966 747981247 /nfs/dbraw/zinc/98/12/47/747981247.db2.gz GVELNMWFMRIZNO-UHFFFAOYSA-N -1 1 316.313 1.423 20 10 DDCDMM CCN(C)c1cc(NCC(=O)c2ccc([O-])c(O)c2)ncn1 ZINC001170316785 766247557 /nfs/dbraw/zinc/24/75/57/766247557.db2.gz OEJWOIYBGXRJQS-UHFFFAOYSA-N -1 1 302.334 1.639 20 10 DDCDMM CN(CC(F)(F)F)C(=O)c1cc2cc(O)c([O-])cc2oc1=O ZINC001155221827 861858240 /nfs/dbraw/zinc/85/82/40/861858240.db2.gz IDIUYTHHQYKGON-UHFFFAOYSA-N -1 1 317.219 1.839 20 10 DDCDMM CC(C)(O)CCCNC(=O)c1cc2cc(O)c([O-])cc2oc1=O ZINC001155233481 861879419 /nfs/dbraw/zinc/87/94/19/861879419.db2.gz BKUPMVGCIDOJBW-UHFFFAOYSA-N -1 1 321.329 1.485 20 10 DDCDMM 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409082320 /nfs/dbraw/zinc/08/23/20/409082320.db2.gz QHRBSZWVGFUCBU-SECBINFHSA-N -1 1 319.321 1.477 20 10 DDCDMM O=C(c1c([O-])c(O)ccc1F)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000295911401 409377391 /nfs/dbraw/zinc/37/73/91/409377391.db2.gz REDVMEOCIJXEJM-NSHDSACASA-N -1 1 309.215 1.376 20 10 DDCDMM CC(C)[C@H](NCC(=O)N(C)Cc1ccc(N(C)C)cc1)C(=O)[O-] ZINC000827092122 601824563 /nfs/dbraw/zinc/82/45/63/601824563.db2.gz VSSSVCNJVCQBCP-INIZCTEOSA-N -1 1 321.421 1.410 20 10 DDCDMM COc1cc(O)c(CN2CCC[C@H](NC(=O)[O-])C2)cc1OC ZINC000833887040 605499313 /nfs/dbraw/zinc/49/93/13/605499313.db2.gz AEIVTIHHQJRBOH-NSHDSACASA-N -1 1 310.350 1.641 20 10 DDCDMM CCN(Cc1ccc(N(C)C)cc1)c1ccc(-c2nnn[n-]2)nn1 ZINC000825435265 608433986 /nfs/dbraw/zinc/43/39/86/608433986.db2.gz RPOZDQQLEVHNRT-UHFFFAOYSA-N -1 1 324.392 1.749 20 10 DDCDMM CCN(Cc1ccc(N(C)C)cc1)c1ccc(-c2nn[n-]n2)nn1 ZINC000825435265 608433989 /nfs/dbraw/zinc/43/39/89/608433989.db2.gz RPOZDQQLEVHNRT-UHFFFAOYSA-N -1 1 324.392 1.749 20 10 DDCDMM O=C(NCc1cccc2c1OCO2)c1c(F)ccc(O)c1[O-] ZINC000789969519 699427510 /nfs/dbraw/zinc/42/75/10/699427510.db2.gz WLGNNVDBMFMTCG-UHFFFAOYSA-N -1 1 305.261 1.896 20 10 DDCDMM CCOC(=O)c1scnc1C=C1SC(=S)[N-]C1=O ZINC000794926004 699836349 /nfs/dbraw/zinc/83/63/49/699836349.db2.gz HDMCNMSFXLFXIR-UTCJRWHESA-N -1 1 300.386 1.809 20 10 DDCDMM Cc1cc(CO)oc1C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000801424075 700307348 /nfs/dbraw/zinc/30/73/48/700307348.db2.gz MICSLMIHVSSLBP-UHFFFAOYSA-N -1 1 306.270 1.531 20 10 DDCDMM O=S(=O)([N-]c1ccc2[nH]nnc2c1)c1cccc2nonc21 ZINC000765095762 700999001 /nfs/dbraw/zinc/99/90/01/700999001.db2.gz NIUHDCLUIBRYMV-UHFFFAOYSA-N -1 1 316.302 1.295 20 10 DDCDMM O=S(=O)([N-]c1ccc2nn[nH]c2c1)c1cccc2nonc21 ZINC000765095762 700999002 /nfs/dbraw/zinc/99/90/02/700999002.db2.gz NIUHDCLUIBRYMV-UHFFFAOYSA-N -1 1 316.302 1.295 20 10 DDCDMM Cc1cc(Br)c([O-])c(CN2CC(=O)N[C@H](C)C2)c1 ZINC000824910476 705556010 /nfs/dbraw/zinc/55/60/10/705556010.db2.gz YGBWAUAOFAZYMX-SECBINFHSA-N -1 1 313.195 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MGXXGDPEHAZUJM-VIFPVBQESA-N -1 1 324.274 1.849 20 10 DDCDMM C[C@H](CNC(=O)NCc1cccc(Cl)c1[O-])S(C)(=O)=O ZINC000893828541 710847114 /nfs/dbraw/zinc/84/71/14/710847114.db2.gz RVMOTXIILUFLMT-MRVPVSSYSA-N -1 1 320.798 1.278 20 10 DDCDMM C[C@H](NC(=O)NCc1cccc(Cl)c1[O-])c1ncnn1C ZINC000894379880 711095498 /nfs/dbraw/zinc/09/54/98/711095498.db2.gz BVVZBSLAOYGCOL-QMMMGPOBSA-N -1 1 309.757 1.735 20 10 DDCDMM COC(=O)C1CC(NC(=O)NCc2cccc(Cl)c2[O-])C1 ZINC000896209476 711691463 /nfs/dbraw/zinc/69/14/63/711691463.db2.gz SJSVHENHZAIZBZ-UHFFFAOYSA-N -1 1 312.753 1.796 20 10 DDCDMM Nc1ccc(S(=O)(=O)Nc2cc(F)c([O-])c(F)c2)cc1N ZINC001213382055 735014254 /nfs/dbraw/zinc/01/42/54/735014254.db2.gz XOLCHEGXENXLFI-UHFFFAOYSA-N -1 1 315.301 1.636 20 10 DDCDMM CCOC(CC(=O)NCC(=O)c1ccc([O-])c(O)c1)OCC ZINC001181795601 743347899 /nfs/dbraw/zinc/34/78/99/743347899.db2.gz NZJIMCGCIXEMNI-UHFFFAOYSA-N -1 1 311.334 1.186 20 10 DDCDMM O=C(c1ccc(O)c([O-])c1Cl)N1CCC[C@H](F)C(=O)C1 ZINC001193220441 746019126 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O=C(NCCn1cccc1)c1cc2cc(O)c([O-])cc2oc1=O ZINC001155232651 861880598 /nfs/dbraw/zinc/88/05/98/861880598.db2.gz SWYHUBSCHQADFU-UHFFFAOYSA-N -1 1 314.297 1.436 20 10 DDCDMM Cc1nc(NCC(=O)c2ccc([O-])c(O)c2)cc(N(C)C)n1 ZINC001159273117 865193516 /nfs/dbraw/zinc/19/35/16/865193516.db2.gz SIPYOSHOLSVYKR-UHFFFAOYSA-N -1 1 302.334 1.557 20 10 DDCDMM COC(=O)c1cc(F)cnc1NCC(=O)c1ccc([O-])c(O)c1 ZINC001159272419 865194351 /nfs/dbraw/zinc/19/43/51/865194351.db2.gz MOZPBUQNDJCTLN-UHFFFAOYSA-N -1 1 320.276 1.713 20 10 DDCDMM COC(=O)Cc1cccc(NCC(=O)c2ccc([O-])c(O)c2)n1 ZINC001159275958 865196237 /nfs/dbraw/zinc/19/62/37/865196237.db2.gz BYHWOOASQAILMR-UHFFFAOYSA-N -1 1 316.313 1.503 20 10 DDCDMM CNC(=O)c1cccnc1NCC(=O)c1ccc([O-])c(O)c1 ZINC001159279225 865197881 /nfs/dbraw/zinc/19/78/81/865197881.db2.gz MWYKZDAQXXZZMO-UHFFFAOYSA-N -1 1 301.302 1.147 20 10 DDCDMM [O-]c1ccc(F)c(F)c1CN1CCN(c2cccnn2)CC1 ZINC001233335362 886928067 /nfs/dbraw/zinc/92/80/67/886928067.db2.gz RUUKNTMWLALJMT-UHFFFAOYSA-N -1 1 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ZINC000768047122 701154602 /nfs/dbraw/zinc/15/46/02/701154602.db2.gz NKRROYFMNWNIFJ-UHFFFAOYSA-N -1 1 309.278 1.868 20 10 DDCDMM C[C@H](C(=O)OCC(=O)c1ccc([O-])c(O)c1)C(=O)OC(C)(C)C ZINC000840703002 702216496 /nfs/dbraw/zinc/21/64/96/702216496.db2.gz ICBYTZLDKZFFMR-SECBINFHSA-N -1 1 324.329 1.802 20 10 DDCDMM CCOc1cc(O)ccc1[N-]S(=O)(=O)C[C@@H](OC)C1CC1 ZINC000842588132 702736897 /nfs/dbraw/zinc/73/68/97/702736897.db2.gz KXVZNVXAVWDDSZ-CQSZACIVSA-N -1 1 315.391 1.958 20 10 DDCDMM COC(=O)N1CCC[C@H](NC(=O)c2c(F)ccc(O)c2[O-])C1 ZINC000825688536 705714748 /nfs/dbraw/zinc/71/47/48/705714748.db2.gz NFGZJMUFEUTLNM-QMMMGPOBSA-N -1 1 312.297 1.198 20 10 DDCDMM COC(=O)[C@@H](C[C@@H]1CCCOC1)NCc1cccc(F)c1[O-] ZINC000862515845 705725858 /nfs/dbraw/zinc/72/58/58/705725858.db2.gz DPNHAESVVAJUNH-SMDDNHRTSA-N -1 1 311.353 1.979 20 10 DDCDMM C[C@@H](Cc1cnn(C)c1)C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000838427175 707917753 /nfs/dbraw/zinc/91/77/53/707917753.db2.gz OCLWFDURDRBAQZ-JTQLQIEISA-N -1 1 318.329 1.436 20 10 DDCDMM COc1cc(O)ccc1[N-]S(=O)(=O)CCOCC1CC1 ZINC000901703877 710126000 /nfs/dbraw/zinc/12/60/00/710126000.db2.gz KBWHNNDIDXZDQT-UHFFFAOYSA-N -1 1 301.364 1.569 20 10 DDCDMM O=C(c1ccccc1)c1ccc([O-])c(C[N@H+]2CC[C@@H]2CO)c1[O-] ZINC000902629671 710827065 /nfs/dbraw/zinc/82/70/65/710827065.db2.gz HIRQTKSZIFWAEX-CYBMUJFWSA-N -1 1 313.353 1.895 20 10 DDCDMM O=C(c1ccccc1)c1ccc([O-])c(C[N@@H+]2CC[C@@H]2CO)c1[O-] ZINC000902629671 710827073 /nfs/dbraw/zinc/82/70/73/710827073.db2.gz HIRQTKSZIFWAEX-CYBMUJFWSA-N -1 1 313.353 1.895 20 10 DDCDMM COC[C@H](CS(=O)(=O)NCc1cccc(Cl)c1[O-])OC ZINC000908329157 712743323 /nfs/dbraw/zinc/74/33/23/712743323.db2.gz QJHCEFFKGWIIPZ-SNVBAGLBSA-N -1 1 323.798 1.126 20 10 DDCDMM O=C(CNC(=O)[C@H]1C[C@@H]1C(F)(F)F)c1ccc([O-])c(O)c1 ZINC001182329097 743570559 /nfs/dbraw/zinc/57/05/59/743570559.db2.gz PADMDYHIRORICN-YUMQZZPRSA-N -1 1 303.236 1.595 20 10 DDCDMM COc1c([O-])c(CN[C@@H](CCO)C(F)(F)F)ccc1[N+](=O)[O-] ZINC001183844823 743917494 /nfs/dbraw/zinc/91/74/94/743917494.db2.gz MYQBURLZTOUURD-VIFPVBQESA-N -1 1 324.255 1.712 20 10 DDCDMM CN(C)c1cccc(C(=O)NCC(=O)c2ccc([O-])c(O)c2)n1 ZINC001184538954 744056850 /nfs/dbraw/zinc/05/68/50/744056850.db2.gz IKSXNZJSMZPAAT-UHFFFAOYSA-N -1 1 315.329 1.172 20 10 DDCDMM COC(=O)c1cc(O)c(F)cc1[N-]S(=O)(=O)C1CCC1 ZINC001188139459 744664724 /nfs/dbraw/zinc/66/47/24/744664724.db2.gz UELBDIMHARNWMS-UHFFFAOYSA-N -1 1 303.311 1.612 20 10 DDCDMM COC(=O)c1ccc(NCC(=O)c2ccc([O-])c(O)c2)nc1 ZINC001170314106 766245552 /nfs/dbraw/zinc/24/55/52/766245552.db2.gz NPDFRVKJGCWVMR-UHFFFAOYSA-N -1 1 302.286 1.574 20 10 DDCDMM CCN1C(=O)CN(Cc2c([O-])ccc(F)c2Cl)CC1=O ZINC001237125010 846662832 /nfs/dbraw/zinc/66/28/32/846662832.db2.gz UYGZCYBGPKAUJQ-UHFFFAOYSA-N -1 1 300.717 1.375 20 10 DDCDMM CCn1cc(NC(=O)c2cc3cc(O)c([O-])cc3oc2=O)cn1 ZINC001155222339 861858851 /nfs/dbraw/zinc/85/88/51/861858851.db2.gz NZJWYKOBVXVFQH-UHFFFAOYSA-N -1 1 315.285 1.673 20 10 DDCDMM O=C(CNC(=O)c1ccnc2cccnc21)c1ccc([O-])c(O)c1 ZINC001154306945 860970890 /nfs/dbraw/zinc/97/08/90/860970890.db2.gz FKGQWDDAGKBOAP-UHFFFAOYSA-N -1 1 323.308 1.654 20 10 DDCDMM CNC(=O)c1ccnc(NCC(=O)c2ccc([O-])c(O)c2)c1 ZINC001159279051 865199069 /nfs/dbraw/zinc/19/90/69/865199069.db2.gz JFAZNBUZGJEOQP-UHFFFAOYSA-N -1 1 301.302 1.147 20 10 DDCDMM O=C(NCc1ccc2nonc2c1)c1c(F)ccc(O)c1[O-] ZINC001161883675 867068507 /nfs/dbraw/zinc/06/85/07/867068507.db2.gz HSCPOOZBGRORQX-UHFFFAOYSA-N -1 1 303.249 1.703 20 10 DDCDMM CCCNC(=O)[C@H](C)NC(=O)NCc1cccc(Cl)c1[O-] ZINC001357749797 880175001 /nfs/dbraw/zinc/17/50/01/880175001.db2.gz DQRQVROKENSXGO-VIFPVBQESA-N -1 1 313.785 1.760 20 10 DDCDMM C[C@@H]1CN(C2CN(Cc3ccc(C(=O)[O-])cc3O)C2)C[C@@H](C)O1 ZINC001231452860 885672396 /nfs/dbraw/zinc/67/23/96/885672396.db2.gz HGDNUKACFGIABF-VXGBXAGGSA-N -1 1 320.389 1.384 20 10 DDCDMM COCC(=O)N[C@@H]1CCCN(Cc2c([O-])ccc(F)c2F)C1 ZINC001233336635 886932337 /nfs/dbraw/zinc/93/23/37/886932337.db2.gz UARHGCQSDLFMFD-SNVBAGLBSA-N -1 1 314.332 1.397 20 10 DDCDMM CCOC(=O)[C@@H]1COCCN1Cc1cc(F)c(Cl)cc1[O-] ZINC001237941482 889950285 /nfs/dbraw/zinc/95/02/85/889950285.db2.gz XAUZXTONKAGXME-LBPRGKRZSA-N -1 1 317.744 1.949 20 10 DDCDMM CC(=O)c1cc(Cl)cc(CN2CC[C@@H](NC(N)=O)C2)c1[O-] ZINC000270673944 408631750 /nfs/dbraw/zinc/63/17/50/408631750.db2.gz SOOBYQSGFVSZNK-LLVKDONJSA-N -1 1 311.769 1.491 20 10 DDCDMM O=C(NCCCOC[C@@H]1CCCO1)c1c(F)ccc(O)c1[O-] ZINC000276536758 408878567 /nfs/dbraw/zinc/87/85/67/408878567.db2.gz FRDGWOHIPXBNRW-JTQLQIEISA-N -1 1 313.325 1.552 20 10 DDCDMM C[C@@H](C(=O)NC[C@H](NC(=O)[O-])c1ccc(N(C)C)cc1)N(C)C ZINC000829783170 604156848 /nfs/dbraw/zinc/15/68/48/604156848.db2.gz HVHLRHQZENWQFV-FZMZJTMJSA-N -1 1 322.409 1.128 20 10 DDCDMM COc1c([O-])c(CN[C@H](C)c2nc(C)no2)ccc1[N+](=O)[O-] ZINC000775112029 697963968 /nfs/dbraw/zinc/96/39/68/697963968.db2.gz RPWMYDAGFRGDTA-SSDOTTSWSA-N -1 1 308.294 1.851 20 10 DDCDMM Cc1cnc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c([O-])c1 ZINC000779068814 698393893 /nfs/dbraw/zinc/39/38/93/698393893.db2.gz CYWMYQZUWJNWIM-SNVBAGLBSA-N -1 1 302.330 1.868 20 10 DDCDMM CC(=O)N(C)C1CCN(C(=O)c2c([O-])c(O)ccc2F)CC1 ZINC000789963509 699426555 /nfs/dbraw/zinc/42/65/55/699426555.db2.gz AJRASNDCOIKPDM-UHFFFAOYSA-N -1 1 310.325 1.320 20 10 DDCDMM Cc1ccc(CCCNC=C2C(=O)[N-]C(=S)NC2=O)c(C)c1 ZINC000730983497 699520511 /nfs/dbraw/zinc/52/05/11/699520511.db2.gz NSLZDIDIDVRLHN-UHFFFAOYSA-N -1 1 317.414 1.240 20 10 DDCDMM Cn1ccnc1C(=O)NCc1cccc(Br)c1[O-] ZINC000766236832 701043448 /nfs/dbraw/zinc/04/34/48/701043448.db2.gz NDZRQGTZHXLACE-UHFFFAOYSA-N -1 1 310.151 1.818 20 10 DDCDMM COc1c([O-])c(CN(C)Cc2nc(C)no2)ccc1[N+](=O)[O-] ZINC000848927985 703604310 /nfs/dbraw/zinc/60/43/10/703604310.db2.gz SIKPBBMXDQWSKD-UHFFFAOYSA-N -1 1 308.294 1.632 20 10 DDCDMM O=C(NCCCN1CCCCCC1=O)c1c(F)ccc(O)c1[O-] ZINC000823534684 705262445 /nfs/dbraw/zinc/26/24/45/705262445.db2.gz VBVMXGWPXLPPEI-UHFFFAOYSA-N -1 1 324.352 1.759 20 10 DDCDMM CCO[N-]C(=O)C[NH2+]Cc1ccc(Br)cc1[O-] ZINC000826143234 705777880 /nfs/dbraw/zinc/77/78/80/705777880.db2.gz VCSYHEYXQTXBTP-UHFFFAOYSA-N -1 1 303.156 1.312 20 10 DDCDMM COc1c([O-])c(CN2CC(OCC(F)F)C2)ccc1[N+](=O)[O-] ZINC000839138583 708029498 /nfs/dbraw/zinc/02/94/98/708029498.db2.gz RQLGHPBTHRSRBQ-UHFFFAOYSA-N -1 1 318.276 1.775 20 10 DDCDMM COCCn1cc(C(=O)NCc2cccc(Cl)c2[O-])cn1 ZINC000890762952 709980860 /nfs/dbraw/zinc/98/08/60/709980860.db2.gz LHPYSKXWHQLWTP-UHFFFAOYSA-N -1 1 309.753 1.819 20 10 DDCDMM Cn1nc(C2CC2)nc1C(=O)NCc1cccc(Cl)c1[O-] ZINC000903045542 711013847 /nfs/dbraw/zinc/01/38/47/711013847.db2.gz OXGSDJFOXMJWOL-UHFFFAOYSA-N -1 1 306.753 1.982 20 10 DDCDMM O=S(=O)(CCOCC1CC1)NCc1cccc(Cl)c1[O-] ZINC000908330016 712743641 /nfs/dbraw/zinc/74/36/41/712743641.db2.gz WGCJRUMNNDXBEP-UHFFFAOYSA-N -1 1 319.810 1.892 20 10 DDCDMM O=C(Cc1ccccc1)C(=O)NCC(=O)c1ccc([O-])c(O)c1 ZINC001181381537 743174463 /nfs/dbraw/zinc/17/44/63/743174463.db2.gz LYDBEBDFGKOTCX-UHFFFAOYSA-N -1 1 313.309 1.209 20 10 DDCDMM Cc1cc(O)cc(O)c1C(=O)NCC(=O)c1ccc([O-])c(O)c1 ZINC001193946648 746248533 /nfs/dbraw/zinc/24/85/33/746248533.db2.gz WCGSLRLYDSHLDC-UHFFFAOYSA-N -1 1 317.297 1.430 20 10 DDCDMM C[C@H](Oc1ccccc1)C(=O)NCC(=O)c1ccc([O-])c(O)c1 ZINC001144502204 772552310 /nfs/dbraw/zinc/55/23/10/772552310.db2.gz JEQHGCWXDFXYOG-NSHDSACASA-N -1 1 315.325 1.864 20 10 DDCDMM O=C(CNc1ccc(O)cc1)NCC(=O)c1ccc([O-])c(O)c1 ZINC001144577057 772569823 /nfs/dbraw/zinc/56/98/23/772569823.db2.gz CHNCDNRVORGJRT-UHFFFAOYSA-N -1 1 316.313 1.214 20 10 DDCDMM CN1C[C@]2(CCN(Cc3c([O-])cc(F)cc3F)C2)OCC1=O ZINC001272616667 846413788 /nfs/dbraw/zinc/41/37/88/846413788.db2.gz NMNALKYHQKUHCR-HNNXBMFYSA-N -1 1 312.316 1.104 20 10 DDCDMM CC[C@@H](C)N1C(=O)COCC12CN(Cc1c([O-])cccc1F)C2 ZINC001273265458 849267269 /nfs/dbraw/zinc/26/72/69/849267269.db2.gz GFQWHBGAVMKKDO-GFCCVEGCSA-N -1 1 322.380 1.743 20 10 DDCDMM COC[C@@H]1c2nnn(C)c2CCN1Cc1cc(F)c(F)cc1[O-] ZINC001142517117 861170302 /nfs/dbraw/zinc/17/03/02/861170302.db2.gz ATPADFMVFDPPNT-CYBMUJFWSA-N -1 1 324.331 1.545 20 10 DDCDMM [O-]c1ccc(F)c(F)c1CN1CC2(CCN2Cc2cn[nH]c2)C1 ZINC001276470325 871127431 /nfs/dbraw/zinc/12/74/31/871127431.db2.gz LZCLZBHBPSGUFH-UHFFFAOYSA-N -1 1 320.343 1.854 20 10 DDCDMM COC[C@@H]([NH2+]Cc1c([O-])cccc1Br)C(=O)[O-] ZINC001351740921 876410473 /nfs/dbraw/zinc/41/04/73/876410473.db2.gz AVVBQHIQBHMELN-SECBINFHSA-N -1 1 304.140 1.344 20 10 DDCDMM O=C(c1ccc([O-])cc1)c1ccc(O)c(O)c1OC1CC(O)C1 ZINC001218257683 877438906 /nfs/dbraw/zinc/43/89/06/877438906.db2.gz WAJWGDCPJRYODW-UHFFFAOYSA-N -1 1 316.309 1.937 20 10 DDCDMM O=C([O-])c1ccc(O)c(CN2CCO[C@@H]3C[C@H](CO)C[C@@H]32)c1 ZINC001231560201 885731461 /nfs/dbraw/zinc/73/14/61/885731461.db2.gz BRGPDESKVMWZEY-RIEGTJTDSA-N -1 1 307.346 1.062 20 10 DDCDMM CCOC(=O)[C@@H]1CN(Cc2cc(F)c(Cl)cc2[O-])CCO1 ZINC001237937313 889947311 /nfs/dbraw/zinc/94/73/11/889947311.db2.gz OUCBENFCHNZSBM-ZDUSSCGKSA-N -1 1 317.744 1.949 20 10 DDCDMM COCCS(=O)(=O)NCc1cccc(Br)c1[O-] ZINC000277469695 408946488 /nfs/dbraw/zinc/94/64/88/408946488.db2.gz JVXWJZAKOTTYRG-UHFFFAOYSA-N -1 1 324.196 1.221 20 10 DDCDMM O=C(NCc1cccc(Br)c1[O-])C1(O)CCC1 ZINC000277546991 408963474 /nfs/dbraw/zinc/96/34/74/408963474.db2.gz NVHCEUAJMASVDJ-UHFFFAOYSA-N -1 1 300.152 1.686 20 10 DDCDMM CC(C)(C)OC(=O)C1CN(C(=O)c2c(F)ccc(O)c2[O-])C1 ZINC000295874822 409373416 /nfs/dbraw/zinc/37/34/16/409373416.db2.gz GBJGPBYBENGWMR-UHFFFAOYSA-N -1 1 311.309 1.651 20 10 DDCDMM O=C(NCC1(CO)CC2(CCC2)C1)c1c(F)ccc(O)c1[O-] ZINC000295167968 409355133 /nfs/dbraw/zinc/35/51/33/409355133.db2.gz GEDWAPUSGLKYNM-UHFFFAOYSA-N -1 1 309.337 1.910 20 10 DDCDMM CNS(=O)(=O)[C@H]1CCN(Cc2cccc(Cl)c2[O-])C1 ZINC000376830562 418701735 /nfs/dbraw/zinc/70/17/35/418701735.db2.gz DQPZDVWDYPBQJY-JTQLQIEISA-N -1 1 304.799 1.169 20 10 DDCDMM O=C([O-])N1CC[C@@H]([NH2+]Cc2cc(Br)ccc2[O-])C1 ZINC000740505023 602878395 /nfs/dbraw/zinc/87/83/95/602878395.db2.gz INZPUCPJDZELAC-SNVBAGLBSA-N -1 1 315.167 1.997 20 10 DDCDMM CCN(Cc1cn(C)nn1)Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000775054287 697958186 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Cc1nnc(CNC(=O)NCc2cccc(Cl)c2[O-])n1C ZINC001341310457 871600170 /nfs/dbraw/zinc/60/01/70/871600170.db2.gz OAXVPCGKMVQXAL-UHFFFAOYSA-N -1 1 309.757 1.482 20 10 DDCDMM O=C([O-])COCC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC001354081748 877740235 /nfs/dbraw/zinc/74/02/35/877740235.db2.gz UETIGORENURPDR-UHFFFAOYSA-N -1 1 308.117 1.416 20 10 DDCDMM Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1cc(F)c(O)c(F)c1 ZINC001261029354 899329150 /nfs/dbraw/zinc/32/91/50/899329150.db2.gz MPYIEAFKMCWLPS-UHFFFAOYSA-N -1 1 303.290 1.811 20 10 DDCDMM COCCOCCOCC[N@H+](C)Cc1cccc(F)c1O ZINC000276232839 408826712 /nfs/dbraw/zinc/82/67/12/408826712.db2.gz SDBRFGMDDRLKRT-UHFFFAOYSA-N -1 1 301.358 1.643 20 10 DDCDMM CCCNC(=O)[C@@H]1CCCN(C(=O)c2c(F)ccc(O)c2[O-])C1 ZINC000276606494 408891948 /nfs/dbraw/zinc/89/19/48/408891948.db2.gz OZAWLYGGJMXAJD-SNVBAGLBSA-N -1 1 324.352 1.615 20 10 DDCDMM CC(=O)c1cc(Cl)cc(CN2CC(=O)NCC2(C)C)c1[O-] ZINC000282767110 409063654 /nfs/dbraw/zinc/06/36/54/409063654.db2.gz OPFVKEXAAHLPMR-UHFFFAOYSA-N -1 1 310.781 1.959 20 10 DDCDMM COc1c([O-])c(CN2CCN(C(C)=O)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000278205118 409077266 /nfs/dbraw/zinc/07/72/66/409077266.db2.gz JOTIYDZGTGHOOV-JTQLQIEISA-N -1 1 323.349 1.362 20 10 DDCDMM C[C@H](NC(=O)c1c(F)ccc(O)c1[O-])[C@H](C)N1CCOCC1 ZINC000295369089 409452799 /nfs/dbraw/zinc/45/27/99/409452799.db2.gz WNPTWXIIDNHFCM-UWVGGRQHSA-N -1 1 312.341 1.076 20 10 DDCDMM O=C([O-])c1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1 ZINC000033326629 599959322 /nfs/dbraw/zinc/95/93/22/599959322.db2.gz PMZCHQSTGZZCIP-UVTDQMKNSA-N -1 1 308.293 1.846 20 10 DDCDMM COc1cc(O)c(C[N@@H+](C)[C@H]2CCN(C(=O)[O-])C2)cc1OC ZINC000833888055 605499871 /nfs/dbraw/zinc/49/98/71/605499871.db2.gz RRMLRLQTKXSJBL-NSHDSACASA-N -1 1 310.350 1.594 20 10 DDCDMM CN(C)c1ccc(CNc2ccc(-c3nnn[n-]3)nn2)cc1F ZINC000825879686 607989758 /nfs/dbraw/zinc/98/97/58/607989758.db2.gz OBGKWBDVJGTTLR-UHFFFAOYSA-N -1 1 314.328 1.474 20 10 DDCDMM CN(C)c1ccc(CNc2ccc(-c3nn[n-]n3)nn2)cc1F ZINC000825879686 607989759 /nfs/dbraw/zinc/98/97/59/607989759.db2.gz OBGKWBDVJGTTLR-UHFFFAOYSA-N -1 1 314.328 1.474 20 10 DDCDMM CCN1CCN(c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000031907599 696122785 /nfs/dbraw/zinc/12/27/85/696122785.db2.gz PMLJUZZHEBZXEX-GQCTYLIASA-N -1 1 305.334 1.835 20 10 DDCDMM Cn1nccc1CC(=O)NCc1cccc(Br)c1[O-] ZINC000768305273 701167895 /nfs/dbraw/zinc/16/78/95/701167895.db2.gz UPYLSRODWYJPOJ-UHFFFAOYSA-N -1 1 324.178 1.747 20 10 DDCDMM CCOC(=O)C(C)(C)CC(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000805661875 701403257 /nfs/dbraw/zinc/40/32/57/701403257.db2.gz IMVVFJVEEBNOHN-UHFFFAOYSA-N -1 1 324.329 1.803 20 10 DDCDMM COc1c([O-])c(CN2CCO[C@H](CF)C2)ccc1[N+](=O)[O-] ZINC000840955639 702292883 /nfs/dbraw/zinc/29/28/83/702292883.db2.gz XAYXLYJMNGJPPF-SNVBAGLBSA-N -1 1 300.286 1.479 20 10 DDCDMM CCCN1C[C@@H](CNC(=O)c2c(F)ccc(O)c2[O-])CC1=O ZINC000817765997 702471234 /nfs/dbraw/zinc/47/12/34/702471234.db2.gz ZITFZXVADUZGAA-SECBINFHSA-N -1 1 310.325 1.225 20 10 DDCDMM Cn1cc([C@@H]2C[C@H]2C(=O)OCC(=O)c2ccc([O-])c(O)c2)cn1 ZINC000838321278 707898805 /nfs/dbraw/zinc/89/88/05/707898805.db2.gz YFUYYLKKZGSQNB-NWDGAFQWSA-N -1 1 316.313 1.361 20 10 DDCDMM COCCn1cc(C(=O)NCc2cccc(Cl)c2[O-])nn1 ZINC000890761511 709980162 /nfs/dbraw/zinc/98/01/62/709980162.db2.gz UMLGWOZQVCHTCB-UHFFFAOYSA-N -1 1 310.741 1.214 20 10 DDCDMM O=C(NCc1cccc(Cl)c1[O-])N[C@@H]1CCS(=O)(=O)C1 ZINC000891421439 710196189 /nfs/dbraw/zinc/19/61/89/710196189.db2.gz DILFIZHAORPSTP-SECBINFHSA-N -1 1 318.782 1.032 20 10 DDCDMM O=Cc1ccc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)cc1 ZINC000916589892 713459524 /nfs/dbraw/zinc/45/95/24/713459524.db2.gz DWFPGKBFMMXVJW-UHFFFAOYSA-N -1 1 300.266 1.950 20 10 DDCDMM NC(=O)c1cc(NCc2cccc(Br)c2[O-])ncn1 ZINC001186360128 744384081 /nfs/dbraw/zinc/38/40/81/744384081.db2.gz RUJXBYISGGZZEH-UHFFFAOYSA-N -1 1 323.150 1.656 20 10 DDCDMM O=C(Nc1cnn2c1OCCC2)c1ccc(O)c([O-])c1Cl ZINC001193218743 746018893 /nfs/dbraw/zinc/01/88/93/746018893.db2.gz CUOBZGVQJCIMPP-UHFFFAOYSA-N -1 1 309.709 1.983 20 10 DDCDMM Cc1nc(CCN(C)C(=O)c2ccc(O)c([O-])c2Cl)no1 ZINC001193218901 746019101 /nfs/dbraw/zinc/01/91/01/746019101.db2.gz DTLZHYTXHSPZEP-UHFFFAOYSA-N -1 1 311.725 1.757 20 10 DDCDMM Cc1nc2[nH]cnc2c(NC(=O)c2ccc(O)c([O-])c2Cl)n1 ZINC001193218742 746019162 /nfs/dbraw/zinc/01/91/62/746019162.db2.gz CTGONWJGFXFPSJ-UHFFFAOYSA-N -1 1 319.708 1.978 20 10 DDCDMM CNC(=O)c1cccnc1NC(=O)c1ccc(O)c([O-])c1Cl ZINC001193219540 746019266 /nfs/dbraw/zinc/01/92/66/746019266.db2.gz KKGKDGJJRPALGH-UHFFFAOYSA-N -1 1 321.720 1.758 20 10 DDCDMM CCc1cnccc1C(=O)NCC(=O)c1ccc([O-])c(O)c1 ZINC001196148342 746783140 /nfs/dbraw/zinc/78/31/40/746783140.db2.gz WRHWAHRQXCLEDJ-UHFFFAOYSA-N -1 1 300.314 1.668 20 10 DDCDMM CNC(=O)c1ccc(NCC(=O)c2ccc([O-])c(O)c2)cc1F ZINC001170322742 766252060 /nfs/dbraw/zinc/25/20/60/766252060.db2.gz OVQZUARLDGTUNE-UHFFFAOYSA-N -1 1 318.304 1.891 20 10 DDCDMM NC(=O)S(=O)(=O)c1ccc([O-])c(Nc2ccncc2F)c1 ZINC001175206620 777707222 /nfs/dbraw/zinc/70/72/22/777707222.db2.gz AWNJNLBZUXCPIP-UHFFFAOYSA-N -1 1 311.294 1.358 20 10 DDCDMM C[C@H](CC(F)(F)F)C(=O)NCC(=O)c1ccc([O-])c(O)c1 ZINC001179870341 779530999 /nfs/dbraw/zinc/53/09/99/779530999.db2.gz KGEMVJKWIXICJS-SSDOTTSWSA-N -1 1 305.252 1.985 20 10 DDCDMM [O-]c1cc(F)c(F)cc1CN1CCN(c2ncccn2)CC1 ZINC001142502525 861166234 /nfs/dbraw/zinc/16/62/34/861166234.db2.gz QYYCUTMZIINEJE-UHFFFAOYSA-N -1 1 306.316 1.783 20 10 DDCDMM C[C@H]1c2ncc(CC(N)=O)n2CCN1Cc1c([O-])cccc1F ZINC001277484079 885182859 /nfs/dbraw/zinc/18/28/59/885182859.db2.gz IYBMFGWBAHEESY-JTQLQIEISA-N -1 1 318.352 1.332 20 10 DDCDMM O=C([O-])c1ccc(CN2CCO[C@@H]3C[C@H](CO)C[C@@H]32)c(O)c1 ZINC001231448877 885669506 /nfs/dbraw/zinc/66/95/06/885669506.db2.gz DKJPSMRREFOPMG-RIEGTJTDSA-N -1 1 307.346 1.062 20 10 DDCDMM CCOC(=O)[C@H]1COCCN1Cc1cc(Cl)c([O-])cc1O ZINC001232263143 886196786 /nfs/dbraw/zinc/19/67/86/886196786.db2.gz HYAMCDOZCKDTMT-LLVKDONJSA-N -1 1 315.753 1.515 20 10 DDCDMM Oc1cc(I)ccc1C[N@@H+]1CC[C@@H](O)C1 ZINC001232974433 886706060 /nfs/dbraw/zinc/70/60/60/886706060.db2.gz NZCPHOCZFNDGJW-SNVBAGLBSA-N -1 1 319.142 1.563 20 10 DDCDMM CC(C)(C)n1ncnc1CNC(=O)c1c(F)ccc(O)c1[O-] ZINC000296118539 409437316 /nfs/dbraw/zinc/43/73/16/409437316.db2.gz IPOIZZAIAJAPNE-UHFFFAOYSA-N -1 1 308.313 1.513 20 10 DDCDMM COc1c([O-])c(CN2CC(F)(F)C[C@@H]2CO)ccc1[N+](=O)[O-] ZINC000365823525 418912406 /nfs/dbraw/zinc/91/24/06/418912406.db2.gz LYBWVJWLBZKYGZ-SECBINFHSA-N -1 1 318.276 1.511 20 10 DDCDMM O=C1C(=Cc2ccc(-c3nnn[n-]3)o2)SC(=S)N1C1CC1 ZINC000823503365 599310449 /nfs/dbraw/zinc/31/04/49/599310449.db2.gz DWRHVOSPPFWNLZ-UITAMQMPSA-N -1 1 319.371 1.823 20 10 DDCDMM O=C1C(=Cc2ccc(-c3nn[n-]n3)o2)SC(=S)N1C1CC1 ZINC000823503365 599310452 /nfs/dbraw/zinc/31/04/52/599310452.db2.gz DWRHVOSPPFWNLZ-UITAMQMPSA-N -1 1 319.371 1.823 20 10 DDCDMM O=C1[N-]C(=S)SC1=Cc1ccc(-c2nn[nH]n2)cc1F ZINC000823541314 607455456 /nfs/dbraw/zinc/45/54/56/607455456.db2.gz OXXQWMRKCMPROE-YWEYNIOJSA-N -1 1 307.335 1.495 20 10 DDCDMM O=C(COC(=O)[C@H]1Cc2ccccc2O1)c1ccc([O-])c(O)c1 ZINC000782184500 698694364 /nfs/dbraw/zinc/69/43/64/698694364.db2.gz ICZRWDVNMGPWAR-MRXNPFEDSA-N -1 1 314.293 1.827 20 10 DDCDMM O=C(COC(=O)c1ncc(F)cc1F)c1ccc([O-])c(O)c1 ZINC000784969375 699050328 /nfs/dbraw/zinc/05/03/28/699050328.db2.gz WPEWURIOOZWMRQ-UHFFFAOYSA-N -1 1 309.224 1.811 20 10 DDCDMM CCN(Cc1ccc(F)c(F)c1[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000703447481 699236662 /nfs/dbraw/zinc/23/66/62/699236662.db2.gz KXHUQWIFWPGNIK-SNVBAGLBSA-N -1 1 305.346 1.679 20 10 DDCDMM CN(C)c1cccc(CNC(=O)c2c(F)ccc(O)c2[O-])n1 ZINC000790074695 699441022 /nfs/dbraw/zinc/44/10/22/699441022.db2.gz GOVFDROHFPDGPS-UHFFFAOYSA-N -1 1 305.309 1.628 20 10 DDCDMM O=C(N[C@H]1C[C@@H]2CCCCN2C1=O)c1c(F)ccc(O)c1[O-] ZINC000839793592 701828445 /nfs/dbraw/zinc/82/84/45/701828445.db2.gz VFHVUEDHUCWEMA-WPRPVWTQSA-N -1 1 308.309 1.120 20 10 DDCDMM COc1c([O-])c(CN(C)Cc2nnc(C)o2)ccc1[N+](=O)[O-] ZINC000827039457 705917150 /nfs/dbraw/zinc/91/71/50/705917150.db2.gz VBEXOBDHLDCEMC-UHFFFAOYSA-N -1 1 308.294 1.632 20 10 DDCDMM COC(=O)[C@]1(OC)CCN(Cc2ccc(F)c(F)c2[O-])C1 ZINC000877652781 706171142 /nfs/dbraw/zinc/17/11/42/706171142.db2.gz OALQGPBLTYJBDD-AWEZNQCLSA-N -1 1 301.289 1.434 20 10 DDCDMM O=C(c1c([O-])c(O)ccc1F)N1CCC2(CC1)COCCO2 ZINC000882781954 707792734 /nfs/dbraw/zinc/79/27/34/707792734.db2.gz DAVKXBGNKAHNNI-UHFFFAOYSA-N -1 1 311.309 1.259 20 10 DDCDMM O=C(C[C@H]1CCCS1(=O)=O)NCc1cccc(Cl)c1[O-] ZINC000890761199 709979861 /nfs/dbraw/zinc/97/98/61/709979861.db2.gz NGGAHNBLRXHYCL-SNVBAGLBSA-N -1 1 317.794 1.629 20 10 DDCDMM Cc1ccc(S(=O)(=O)Nc2cccc(O)c2O)cc1C(=O)[O-] ZINC001184695946 744082387 /nfs/dbraw/zinc/08/23/87/744082387.db2.gz PCRHQQPCUPYRCH-UHFFFAOYSA-N -1 1 323.326 1.905 20 10 DDCDMM COc1nc(C)ccc1C(=O)NCC(=O)c1ccc([O-])c(O)c1 ZINC001190813076 745354115 /nfs/dbraw/zinc/35/41/15/745354115.db2.gz RVERRVUYPPBUMU-UHFFFAOYSA-N -1 1 316.313 1.423 20 10 DDCDMM COC(=O)[C@H]1CC[C@@H](NC(=O)c2ccc(O)c([O-])c2Cl)C1 ZINC001193236869 746026804 /nfs/dbraw/zinc/02/68/04/746026804.db2.gz SENRNCSWYSPXJW-JGVFFNPUSA-N -1 1 313.737 1.823 20 10 DDCDMM O=C(CNc1cn(C2CCC2)c(=O)cn1)c1ccc([O-])c(O)c1 ZINC001170320791 766250467 /nfs/dbraw/zinc/25/04/67/766250467.db2.gz NVRCSBAAJNIVFT-UHFFFAOYSA-N -1 1 315.329 1.674 20 10 DDCDMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)C2=CC(=O)CS2)n1 ZINC001146864586 772956997 /nfs/dbraw/zinc/95/69/97/772956997.db2.gz FZOZUJSNNWTDRK-LURJTMIESA-N -1 1 310.335 1.240 20 10 DDCDMM CC(=O)[C@@H]1CCCN1C(=O)c1cc2cc(O)c([O-])cc2oc1=O ZINC001155227569 861872779 /nfs/dbraw/zinc/87/27/79/861872779.db2.gz ADWKJDBEKNJZAL-NSHDSACASA-N -1 1 317.297 1.398 20 10 DDCDMM O=C(CNC(=O)c1nc2ccccc2o1)c1ccc([O-])c(O)c1 ZINC001153587095 863963438 /nfs/dbraw/zinc/96/34/38/863963438.db2.gz QIZAVIXKJGAARP-UHFFFAOYSA-N -1 1 312.281 1.852 20 10 DDCDMM CCN1C(=O)CN(Cc2cc(F)c(Cl)cc2[O-])CC1=O ZINC001237933368 889947225 /nfs/dbraw/zinc/94/72/25/889947225.db2.gz AKTTTXNYBIGJCS-UHFFFAOYSA-N -1 1 300.717 1.375 20 10 DDCDMM CN1C(=O)C(=Cc2ccc(-c3nn[n-]n3)s2)SC1=S ZINC000821619370 606394194 /nfs/dbraw/zinc/39/41/94/606394194.db2.gz TXEAJXYVYLXRLF-QPJJXVBHSA-N -1 1 309.401 1.759 20 10 DDCDMM CN(C)c1ccc(CN(C)c2ccc(-c3nnn[n-]3)nn2)cc1 ZINC000825880068 608391457 /nfs/dbraw/zinc/39/14/57/608391457.db2.gz WSDSKRPHAYSPRA-UHFFFAOYSA-N -1 1 310.365 1.359 20 10 DDCDMM CN(C)c1ccc(CN(C)c2ccc(-c3nn[n-]n3)nn2)cc1 ZINC000825880068 608391459 /nfs/dbraw/zinc/39/14/59/608391459.db2.gz WSDSKRPHAYSPRA-UHFFFAOYSA-N -1 1 310.365 1.359 20 10 DDCDMM Cc1nn(C)c(C)c1CC(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000782586082 698743771 /nfs/dbraw/zinc/74/37/71/698743771.db2.gz JQQNEFGXBYCYQO-UHFFFAOYSA-N -1 1 318.329 1.417 20 10 DDCDMM O=C(NCc1cccc(Br)c1[O-])c1cnsn1 ZINC000765751213 701026158 /nfs/dbraw/zinc/02/61/58/701026158.db2.gz ALADUDUSQNPIGD-UHFFFAOYSA-N -1 1 314.164 1.936 20 10 DDCDMM C[C@@H]1CCCN(C(=O)C(=O)OCC(=O)c2ccc([O-])c(O)c2)C1 ZINC000805564000 701394265 /nfs/dbraw/zinc/39/42/65/701394265.db2.gz CKDKTSAXBCNIFW-SNVBAGLBSA-N -1 1 321.329 1.082 20 10 DDCDMM COc1cc2c(c(OC)c1)N(Cc1nc(=O)n(C)[n-]1)CCC2 ZINC000839657045 701767764 /nfs/dbraw/zinc/76/77/64/701767764.db2.gz ZHRHNLAKFXUTGS-UHFFFAOYSA-N -1 1 304.350 1.078 20 10 DDCDMM CC(C)(C)n1cnc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)n1 ZINC000812696002 702224077 /nfs/dbraw/zinc/22/40/77/702224077.db2.gz BHSFETBUNCNGOR-UHFFFAOYSA-N -1 1 319.317 1.484 20 10 DDCDMM COC1(C(=O)NCc2cccc(Br)c2[O-])CC1 ZINC000843866854 702935490 /nfs/dbraw/zinc/93/54/90/702935490.db2.gz GUWIWLOKQPZVLQ-UHFFFAOYSA-N -1 1 300.152 1.950 20 10 DDCDMM O=C(c1c(F)ccc(O)c1[O-])N1CCC(Cn2cnnc2)CC1 ZINC000846661061 703310104 /nfs/dbraw/zinc/31/01/04/703310104.db2.gz MJBDFHCTLNRMAD-UHFFFAOYSA-N -1 1 320.324 1.381 20 10 DDCDMM CN(C)c1ccc(CNC(=O)CCCc2nn[n-]n2)cc1F ZINC000874251605 704984487 /nfs/dbraw/zinc/98/44/87/704984487.db2.gz MCDXIQFUJQCMSQ-UHFFFAOYSA-N -1 1 306.345 1.044 20 10 DDCDMM CC(C)c1nccn1CCNC(=O)c1c(F)ccc(O)c1[O-] ZINC000825600963 705700770 /nfs/dbraw/zinc/70/07/70/705700770.db2.gz WOGVNGZGNZGSGO-UHFFFAOYSA-N -1 1 307.325 1.987 20 10 DDCDMM CCN(Cc1ccc(F)c(F)c1[O-])[C@@H](C)CS(C)(=O)=O ZINC000876735766 705847889 /nfs/dbraw/zinc/84/78/89/705847889.db2.gz HKYOHKIEQBQSNI-VIFPVBQESA-N -1 1 307.362 1.925 20 10 DDCDMM Cc1cc(Br)c(O)c(C[N@@H+]2C[C@H](O)[C@@H](CO)C2)c1 ZINC000839165649 708031850 /nfs/dbraw/zinc/03/18/50/708031850.db2.gz MMOXDMDSWMOZLZ-PWSUYJOCSA-N -1 1 316.195 1.248 20 10 DDCDMM [O-]c1c(Cl)cccc1CNCc1cn(C[C@@H]2CCOC2)nn1 ZINC000898214403 708575365 /nfs/dbraw/zinc/57/53/65/708575365.db2.gz BTYAQFMMCNXESN-NSHDSACASA-N -1 1 322.796 1.963 20 10 DDCDMM CCCN1C[C@@H](C(=O)NCc2cccc(Cl)c2[O-])CC1=O ZINC000890761081 709980235 /nfs/dbraw/zinc/98/02/35/709980235.db2.gz KHZJIPGKVFXLTN-NSHDSACASA-N -1 1 310.781 1.920 20 10 DDCDMM COC(=O)[C@@H](C)CS(=O)(=O)NCc1cccc(Cl)c1[O-] ZINC000908326574 712742642 /nfs/dbraw/zinc/74/26/42/712742642.db2.gz CGWUAJNNDFWRIQ-QMMMGPOBSA-N -1 1 321.782 1.274 20 10 DDCDMM COCCCCS(=O)(=O)NCc1cccc(Cl)c1[O-] ZINC000908330026 712743768 /nfs/dbraw/zinc/74/37/68/712743768.db2.gz WHOBCZBWKDQKCT-UHFFFAOYSA-N -1 1 307.799 1.892 20 10 DDCDMM O=C(COC(=O)c1ccc(CO)cc1)c1ccc([O-])c(O)c1 ZINC000916590725 713459505 /nfs/dbraw/zinc/45/95/05/713459505.db2.gz JMEBADPSPOAZSP-UHFFFAOYSA-N -1 1 302.282 1.630 20 10 DDCDMM C[C@@]1(C(=O)NCC(=O)c2ccc([O-])c(O)c2)CC1(Cl)Cl ZINC001182140988 743497761 /nfs/dbraw/zinc/49/77/61/743497761.db2.gz AXUBGIJFFKHTDE-LBPRGKRZSA-N -1 1 318.156 1.981 20 10 DDCDMM O=C(NC[C@@H](O)COc1ccccc1)c1c(F)ccc(O)c1[O-] ZINC001182311851 743564992 /nfs/dbraw/zinc/56/49/92/743564992.db2.gz YOWOFGLEBOUTIW-SNVBAGLBSA-N -1 1 321.304 1.407 20 10 DDCDMM CCOC(=O)C(C)(C)S(=O)(=O)[N-]c1cc(F)c(O)cc1F ZINC001193058851 745975584 /nfs/dbraw/zinc/97/55/84/745975584.db2.gz LJDZSUSLZURTFH-UHFFFAOYSA-N -1 1 323.317 1.754 20 10 DDCDMM O=C(c1ccc(O)c([O-])c1Cl)N1CCN(CCF)CC1 ZINC001193226033 746038124 /nfs/dbraw/zinc/03/81/24/746038124.db2.gz WONWYXZSQWDFJI-UHFFFAOYSA-N -1 1 302.733 1.479 20 10 DDCDMM 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