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C[N-]S(=O)(=O)c1cc(C(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)ccc1F ZINC000752405656 1072884931 /nfs/dbraw/zinc/88/49/31/1072884931.db2.gz QSZWCCSXAJOZCO-UHFFFAOYSA-N -1 3 426.470 -0.359 20 0 IBADHM C[N-]S(=O)(=O)c1cc(C(=O)NCCS(=O)(=O)N2CCSCC2)ccc1F ZINC000752414761 1072885457 /nfs/dbraw/zinc/88/54/57/1072885457.db2.gz WGIIDPSZBUWWHJ-UHFFFAOYSA-N -1 3 425.529 -0.158 20 0 IBADHM C[N-]S(=O)(=O)c1cc(C(=O)OCC(=O)N2CCN(CC(=O)N(C)C)CC2)ccc1F ZINC000752580052 1072885734 /nfs/dbraw/zinc/88/57/34/1072885734.db2.gz OENQGABAELXDET-UHFFFAOYSA-N -1 3 444.485 -0.877 20 0 IBADHM C[N-]S(=O)(=O)c1cc(C(=O)OCC(=O)N2CCN(C(=O)C3CC3)CC2)ccc1F ZINC000752584946 1072885908 /nfs/dbraw/zinc/88/59/08/1072885908.db2.gz VRRDIVTUBYPYFN-UHFFFAOYSA-N -1 3 427.454 -0.029 20 0 IBADHM C[N-]S(=O)(=O)c1cc(C(=O)OCCn2cnc3c2c(=O)n(C)c(=O)n3C)ccc1F ZINC000752585279 1072885952 /nfs/dbraw/zinc/88/59/52/1072885952.db2.gz XYGJTMGGRBFRHK-UHFFFAOYSA-N -1 3 439.425 -0.662 20 0 IBADHM C[N-]S(=O)(=O)c1cc(C(=O)O[C@@H](C)C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)ccc1F ZINC000752586246 1072886264 /nfs/dbraw/zinc/88/62/64/1072886264.db2.gz TUWQSPVRYSXHSJ-CMPLNLGQSA-N -1 3 436.483 -0.075 20 0 IBADHM C[N-]S(=O)(=O)c1cc(C(=O)O[C@@H](C)C(=O)N(C)[C@H]2CCS(=O)(=O)C2)ccc1F ZINC000752586250 1072886319 /nfs/dbraw/zinc/88/63/19/1072886319.db2.gz TUWQSPVRYSXHSJ-JQWIXIFHSA-N -1 3 436.483 -0.075 20 0 IBADHM C[N-]S(=O)(=O)c1cc(C(=O)O[C@H](C)C(=O)N(C)[C@H]2CCS(=O)(=O)C2)ccc1F ZINC000752586252 1072886496 /nfs/dbraw/zinc/88/64/96/1072886496.db2.gz TUWQSPVRYSXHSJ-PWSUYJOCSA-N -1 3 436.483 -0.075 20 0 IBADHM C[N-]S(=O)(=O)c1cc(C(=O)O[C@H](C)C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)ccc1F ZINC000752586253 1072886387 /nfs/dbraw/zinc/88/63/87/1072886387.db2.gz TUWQSPVRYSXHSJ-ZYHUDNBSSA-N -1 3 436.483 -0.075 20 0 IBADHM CCN(C(=O)COC(=O)c1ccc(F)c(S(=O)(=O)[N-]C)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000752586259 1072886423 /nfs/dbraw/zinc/88/64/23/1072886423.db2.gz UAMADUZKKRSLHA-GFCCVEGCSA-N -1 3 436.483 -0.074 20 0 IBADHM CCN(C(=O)COC(=O)c1ccc(F)c(S(=O)(=O)[N-]C)c1)[C@H]1CCS(=O)(=O)C1 ZINC000752586262 1072886290 /nfs/dbraw/zinc/88/62/90/1072886290.db2.gz UAMADUZKKRSLHA-LBPRGKRZSA-N -1 3 436.483 -0.074 20 0 IBADHM C[N-]S(=O)(=O)c1cc(C(=O)OCC(=O)NCCCN(C)S(C)(=O)=O)ccc1F ZINC000752587086 1072886348 /nfs/dbraw/zinc/88/63/48/1072886348.db2.gz QJDRQFFQROFNID-UHFFFAOYSA-N -1 3 439.487 -0.712 20 0 IBADHM C[N-]S(=O)(=O)c1cc(C(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)ccc1F ZINC000752625763 1072886474 /nfs/dbraw/zinc/88/64/74/1072886474.db2.gz HAOWZLIUXCFVBS-CYBMUJFWSA-N -1 3 437.515 -0.048 20 0 IBADHM C[N-]S(=O)(=O)c1cc(C(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)ccc1F ZINC000752625765 1072886233 /nfs/dbraw/zinc/88/62/33/1072886233.db2.gz HAOWZLIUXCFVBS-ZDUSSCGKSA-N -1 3 437.515 -0.048 20 0 IBADHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCN(CC(=O)Nc3nncs3)CC2)ccc1F ZINC000752626263 1072886535 /nfs/dbraw/zinc/88/65/35/1072886535.db2.gz KNJDELDIYSAIPW-UHFFFAOYSA-N -1 3 442.498 -0.018 20 0 IBADHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2CC(=O)N(CCN3CCOCC3)C2)ccc1F ZINC000752630545 1072886455 /nfs/dbraw/zinc/88/64/55/1072886455.db2.gz SLZXVXMRRPVFJD-AWEZNQCLSA-N -1 3 428.486 -0.603 20 0 IBADHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CC(=O)N(CCN3CCOCC3)C2)ccc1F ZINC000752630596 1072886752 /nfs/dbraw/zinc/88/67/52/1072886752.db2.gz SLZXVXMRRPVFJD-CQSZACIVSA-N -1 3 428.486 -0.603 20 0 IBADHM C[C@H](C[N-]C(=O)C(F)(F)C(F)(F)C(=O)NC[C@@H](C)S(C)(=O)=O)S(C)(=O)=O ZINC000754240326 1072898932 /nfs/dbraw/zinc/89/89/32/1072898932.db2.gz UGPWZJSMGWXFKW-HTQZYQBOSA-N -1 3 428.426 -0.644 20 0 IBADHM C[C@H](CNC(=O)C(F)(F)C(F)(F)C(=O)[N-]C[C@H](C)S(C)(=O)=O)S(C)(=O)=O ZINC000754240328 1072899042 /nfs/dbraw/zinc/89/90/42/1072899042.db2.gz UGPWZJSMGWXFKW-OCAPTIKFSA-N -1 3 428.426 -0.644 20 0 IBADHM C[C@H](C[N-]C(=O)C(F)(F)C(F)(F)C(=O)NC[C@H](C)S(C)(=O)=O)S(C)(=O)=O ZINC000754240328 1072899031 /nfs/dbraw/zinc/89/90/31/1072899031.db2.gz UGPWZJSMGWXFKW-OCAPTIKFSA-N -1 3 428.426 -0.644 20 0 IBADHM C[C@@H](C[N-]C(=O)C(F)(F)C(F)(F)C(=O)NC[C@H](C)S(C)(=O)=O)S(C)(=O)=O ZINC000754240329 1072899337 /nfs/dbraw/zinc/89/93/37/1072899337.db2.gz UGPWZJSMGWXFKW-YUMQZZPRSA-N -1 3 428.426 -0.644 20 0 IBADHM COc1cc(C(=O)OCC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)cc(OC)c1[O-] ZINC000754259501 1072899287 /nfs/dbraw/zinc/89/92/87/1072899287.db2.gz LGMADQQYCJYQLN-AWEZNQCLSA-N -1 3 442.490 -0.103 20 0 IBADHM COc1cc(C(=O)OCC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)cc(OC)c1[O-] ZINC000754259517 1072899419 /nfs/dbraw/zinc/89/94/19/1072899419.db2.gz LGMADQQYCJYQLN-CQSZACIVSA-N -1 3 442.490 -0.103 20 0 IBADHM NC(=O)CO[N-]C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1 ZINC000755366429 1072916244 /nfs/dbraw/zinc/91/62/44/1072916244.db2.gz JRVYPJFMUWNHRZ-UHFFFAOYSA-N -1 3 443.482 -0.918 20 0 IBADHM NC(=O)CO[N-]C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 ZINC000755393150 1072916199 /nfs/dbraw/zinc/91/61/99/1072916199.db2.gz SYPFJNQVYLJCCS-UHFFFAOYSA-N -1 3 427.483 -0.154 20 0 IBADHM C[C@@H](CC(=O)N(CCO)CCN1CCOCC1)[N-]S(=O)(=O)c1cccnc1Cl ZINC000757110801 1072933714 /nfs/dbraw/zinc/93/37/14/1072933714.db2.gz STBNYLPYPQYWRC-AWEZNQCLSA-N -1 3 434.946 -0.055 20 0 IBADHM C[C@H](CC(=O)N(CCO)CCN1CCOCC1)[N-]S(=O)(=O)c1cccnc1Cl ZINC000757110805 1072933697 /nfs/dbraw/zinc/93/36/97/1072933697.db2.gz STBNYLPYPQYWRC-CQSZACIVSA-N -1 3 434.946 -0.055 20 0 IBADHM CC(C)NS(=O)(=O)NCC[N-]S(=O)(=O)c1cc(S(C)(=O)=O)sc1Cl ZINC000758191209 1072943579 /nfs/dbraw/zinc/94/35/79/1072943579.db2.gz KLXIIEYCMIKVJS-UHFFFAOYSA-N -1 3 439.990 -0.084 20 0 IBADHM CCOCCS(=O)(=O)[N-]CC(=O)O[C@@H](C)C(=O)N1CCN(c2ncccn2)CC1 ZINC000758351254 1072945669 /nfs/dbraw/zinc/94/56/69/1072945669.db2.gz NYWQRGXXTNTPNZ-AWEZNQCLSA-N -1 3 429.499 -0.987 20 0 IBADHM CCOCCS(=O)(=O)[N-]CC(=O)O[C@H](C)C(=O)N1CCN(c2ncccn2)CC1 ZINC000758351259 1072945553 /nfs/dbraw/zinc/94/55/53/1072945553.db2.gz NYWQRGXXTNTPNZ-CQSZACIVSA-N -1 3 429.499 -0.987 20 0 IBADHM CCOCCS(=O)(=O)[N-]CC(=O)OCC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000758351750 1072945648 /nfs/dbraw/zinc/94/56/48/1072945648.db2.gz RZXCSXAOGZZVFI-UHFFFAOYSA-N -1 3 431.486 -0.027 20 0 IBADHM CCOCCS(=O)(=O)[N-]CC(=O)OCC(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O ZINC000758352031 1072945505 /nfs/dbraw/zinc/94/55/05/1072945505.db2.gz WOSACJIDKHQKSN-UHFFFAOYSA-N -1 3 427.435 -0.650 20 0 IBADHM CCOCCS(=O)(=O)[N-]CC(=O)OCC(=O)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000758352388 1072945455 /nfs/dbraw/zinc/94/54/55/1072945455.db2.gz ZPBKAIJHQWVNPU-UHFFFAOYSA-N -1 3 445.450 -0.395 20 0 IBADHM CN(CCOC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1)S(=O)(=O)N1CCOCC1 ZINC000759327611 1072955076 /nfs/dbraw/zinc/95/50/76/1072955076.db2.gz YXVQGMPUBSKNFW-UHFFFAOYSA-N -1 3 439.487 -0.137 20 0 IBADHM CS(=O)(=O)CCn1cccc(NS(=O)(=O)c2ccc3c(c2)C(=O)[N-]C3=O)c1=O ZINC000760269871 1072899502 /nfs/dbraw/zinc/89/95/02/1072899502.db2.gz WXVFQOFGIVVLIL-UHFFFAOYSA-N -1 3 425.444 -0.423 20 0 IBADHM COC(=O)C[C@@H]1C(=O)NCCN1C(=O)C[C@@H](C)[N-]S(=O)(=O)c1cccnc1Cl ZINC000760363368 1072992827 /nfs/dbraw/zinc/99/28/27/1072992827.db2.gz WEOFNFMNTICSMD-GHMZBOCLSA-N -1 3 432.886 -0.318 20 0 IBADHM COC(=O)C[C@H]1C(=O)NCCN1C(=O)C[C@@H](C)[N-]S(=O)(=O)c1cccnc1Cl ZINC000760363385 1072992878 /nfs/dbraw/zinc/99/28/78/1072992878.db2.gz WEOFNFMNTICSMD-MNOVXSKESA-N -1 3 432.886 -0.318 20 0 IBADHM COC(=O)C[C@H]1C(=O)NCCN1C(=O)C[C@H](C)[N-]S(=O)(=O)c1cccnc1Cl ZINC000760363392 1072992741 /nfs/dbraw/zinc/99/27/41/1072992741.db2.gz WEOFNFMNTICSMD-QWRGUYRKSA-N -1 3 432.886 -0.318 20 0 IBADHM COC(=O)C[C@@H]1C(=O)NCCN1C(=O)C[C@H](C)[N-]S(=O)(=O)c1cccnc1Cl ZINC000760363395 1072992842 /nfs/dbraw/zinc/99/28/42/1072992842.db2.gz WEOFNFMNTICSMD-WDEREUQCSA-N -1 3 432.886 -0.318 20 0 IBADHM C[C@H](CC(=O)NCCN1CCS(=O)(=O)CC1)[N-]S(=O)(=O)c1cccnc1Cl ZINC000760445709 1072994189 /nfs/dbraw/zinc/99/41/89/1072994189.db2.gz XEICJMBCNGGTOT-GFCCVEGCSA-N -1 3 438.959 -0.362 20 0 IBADHM C[C@@H](CC(=O)NCCN1CCS(=O)(=O)CC1)[N-]S(=O)(=O)c1cccnc1Cl ZINC000760445716 1072994259 /nfs/dbraw/zinc/99/42/59/1072994259.db2.gz XEICJMBCNGGTOT-LBPRGKRZSA-N -1 3 438.959 -0.362 20 0 IBADHM C[C@@H](CC(=O)N1CCN(S(N)(=O)=O)CC1)[N-]S(=O)(=O)c1cccnc1Cl ZINC000760501879 1072999676 /nfs/dbraw/zinc/99/96/76/1072999676.db2.gz JKTCVVDETSAJRX-JTQLQIEISA-N -1 3 425.920 -0.860 20 0 IBADHM C[C@H](CC(=O)N1CCN(S(N)(=O)=O)CC1)[N-]S(=O)(=O)c1cccnc1Cl ZINC000760501880 1072999711 /nfs/dbraw/zinc/99/97/11/1072999711.db2.gz JKTCVVDETSAJRX-SNVBAGLBSA-N -1 3 425.920 -0.860 20 0 IBADHM CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)C[C@@H](C)[N-]S(=O)(=O)c1cccnc1Cl ZINC000760522708 1073027497 /nfs/dbraw/zinc/02/74/97/1073027497.db2.gz KUIBAGAXQKCAQE-NEPJUHHUSA-N -1 3 445.929 -0.355 20 0 IBADHM CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)C[C@H](C)[N-]S(=O)(=O)c1cccnc1Cl ZINC000760522709 1073027493 /nfs/dbraw/zinc/02/74/93/1073027493.db2.gz KUIBAGAXQKCAQE-NWDGAFQWSA-N -1 3 445.929 -0.355 20 0 IBADHM CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)C[C@H](C)[N-]S(=O)(=O)c1cccnc1Cl ZINC000760522910 1073025301 /nfs/dbraw/zinc/02/53/01/1073025301.db2.gz KUIBAGAXQKCAQE-RYUDHWBXSA-N -1 3 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ZINC001247611200 1073528392 /nfs/dbraw/zinc/52/83/92/1073528392.db2.gz LSTXGYVICZGHEV-ADEWGFFLSA-N -1 3 433.211 -0.261 20 0 IBADHM COCOc1ccc(Br)cc1-c1noc(C(O)=C([O-])[C@H](O)[C@@H](O)CO)n1 ZINC001247611211 1073528290 /nfs/dbraw/zinc/52/82/90/1073528290.db2.gz LSTXGYVICZGHEV-MVWJERBFSA-N -1 3 433.211 -0.261 20 0 IBADHM COCOc1ccc(Br)cc1-c1noc(C(O)=C([O-])[C@H](O)[C@H](O)CO)n1 ZINC001247611213 1073528487 /nfs/dbraw/zinc/52/84/87/1073528487.db2.gz LSTXGYVICZGHEV-YUSALJHKSA-N -1 3 433.211 -0.261 20 0 IBADHM COCOc1ccc(Br)cc1-c1noc(C(O)=C([O-])[C@@H](O)[C@@H](O)CO)n1 ZINC001247611214 1073528206 /nfs/dbraw/zinc/52/82/06/1073528206.db2.gz LSTXGYVICZGHEV-ZMLRMANQSA-N -1 3 433.211 -0.261 20 0 IBADHM Cc1cc(-c2noc(C(O)=C([O-])[C@@H](O)[C@@H](O)CO)n2)ccc1I ZINC001247611834 1073528459 /nfs/dbraw/zinc/52/84/59/1073528459.db2.gz OEIVPDXPBWFITO-GARJFASQSA-N -1 3 434.186 -0.093 20 0 IBADHM Cc1cc(-c2noc(C(O)=C([O-])[C@H](O)[C@H](O)CO)n2)ccc1I ZINC001247611835 1073528262 /nfs/dbraw/zinc/52/82/62/1073528262.db2.gz OEIVPDXPBWFITO-GMTAPVOTSA-N -1 3 434.186 -0.093 20 0 IBADHM Cc1cc(-c2noc(C(O)=C([O-])[C@H](O)[C@@H](O)CO)n2)ccc1I ZINC001247611837 1073528365 /nfs/dbraw/zinc/52/83/65/1073528365.db2.gz OEIVPDXPBWFITO-HBNTYKKESA-N -1 3 434.186 -0.093 20 0 IBADHM Cc1cc(-c2noc(C(O)=C([O-])[C@@H](O)[C@H](O)CO)n2)ccc1I ZINC001247611838 1073528172 /nfs/dbraw/zinc/52/81/72/1073528172.db2.gz OEIVPDXPBWFITO-OUAUKWLOSA-N -1 3 434.186 -0.093 20 0 IBADHM [O-]C(=C(O)c1nc(-c2ccc(F)c(I)c2)no1)[C@H](O)[C@@H](O)CO ZINC001247612687 1073528763 /nfs/dbraw/zinc/52/87/63/1073528763.db2.gz QCMJOHQGZIADGT-IVZWLZJFSA-N -1 3 438.149 -0.262 20 0 IBADHM [O-]C(=C(O)c1nc(-c2ccc(F)c(I)c2)no1)[C@@H](O)[C@H](O)CO ZINC001247612689 1073528907 /nfs/dbraw/zinc/52/89/07/1073528907.db2.gz QCMJOHQGZIADGT-KXUCPTDWSA-N -1 3 438.149 -0.262 20 0 IBADHM [O-]C(=C(O)c1nc(-c2ccc(F)c(I)c2)no1)[C@@H](O)[C@@H](O)CO ZINC001247612691 1073529034 /nfs/dbraw/zinc/52/90/34/1073529034.db2.gz QCMJOHQGZIADGT-LPEHRKFASA-N -1 3 438.149 -0.262 20 0 IBADHM [O-]C(=C(O)c1nc(-c2ccc(F)c(I)c2)no1)[C@H](O)[C@H](O)CO ZINC001247612693 1073529078 /nfs/dbraw/zinc/52/90/78/1073529078.db2.gz QCMJOHQGZIADGT-OPRDCNLKSA-N -1 3 438.149 -0.262 20 0 IBADHM [O-]C(=C(O)c1nc(-c2cc(F)ccc2I)no1)[C@H](O)[C@@H](O)CO ZINC001247613618 1073528735 /nfs/dbraw/zinc/52/87/35/1073528735.db2.gz QNBICSNGTVXMNY-IVZWLZJFSA-N -1 3 438.149 -0.262 20 0 IBADHM [O-]C(=C(O)c1nc(-c2cc(F)ccc2I)no1)[C@@H](O)[C@H](O)CO ZINC001247613619 1073529011 /nfs/dbraw/zinc/52/90/11/1073529011.db2.gz QNBICSNGTVXMNY-KXUCPTDWSA-N -1 3 438.149 -0.262 20 0 IBADHM [O-]C(=C(O)c1nc(-c2cc(F)ccc2I)no1)[C@@H](O)[C@@H](O)CO ZINC001247613620 1073528963 /nfs/dbraw/zinc/52/89/63/1073528963.db2.gz QNBICSNGTVXMNY-LPEHRKFASA-N -1 3 438.149 -0.262 20 0 IBADHM [O-]C(=C(O)c1nc(-c2cc(F)ccc2I)no1)[C@H](O)[C@H](O)CO ZINC001247613621 1073529054 /nfs/dbraw/zinc/52/90/54/1073529054.db2.gz QNBICSNGTVXMNY-OPRDCNLKSA-N -1 3 438.149 -0.262 20 0 IBADHM COc1cc(-c2noc(C(O)=C([O-])[C@@H](O)[C@H](O)CO)n2)cc(Br)c1OC ZINC001247614317 1073528989 /nfs/dbraw/zinc/52/89/89/1073528989.db2.gz RLUPUJIVBTUOQE-DVVUODLYSA-N -1 3 433.211 -0.226 20 0 IBADHM COc1cc(-c2noc(C(O)=C([O-])[C@H](O)[C@H](O)CO)n2)cc(Br)c1OC ZINC001247614325 1073528859 /nfs/dbraw/zinc/52/88/59/1073528859.db2.gz RLUPUJIVBTUOQE-FBIMIBRVSA-N -1 3 433.211 -0.226 20 0 IBADHM COc1cc(-c2noc(C(O)=C([O-])[C@@H](O)[C@@H](O)CO)n2)cc(Br)c1OC ZINC001247614329 1073528833 /nfs/dbraw/zinc/52/88/33/1073528833.db2.gz RLUPUJIVBTUOQE-INTQDDNPSA-N -1 3 433.211 -0.226 20 0 IBADHM COc1cc(-c2noc(C(O)=C([O-])[C@H](O)[C@@H](O)CO)n2)cc(Br)c1OC ZINC001247614335 1073528885 /nfs/dbraw/zinc/52/88/85/1073528885.db2.gz RLUPUJIVBTUOQE-JMJZKYOTSA-N -1 3 433.211 -0.226 20 0 IBADHM [O-]C(=C(O)c1nc(-c2ccc(F)cc2I)no1)[C@H](O)[C@@H](O)CO ZINC001247615746 1073528790 /nfs/dbraw/zinc/52/87/90/1073528790.db2.gz VPTWOBDNQKWWGR-IVZWLZJFSA-N -1 3 438.149 -0.262 20 0 IBADHM [O-]C(=C(O)c1nc(-c2ccc(F)cc2I)no1)[C@@H](O)[C@H](O)CO ZINC001247615747 1073528943 /nfs/dbraw/zinc/52/89/43/1073528943.db2.gz VPTWOBDNQKWWGR-KXUCPTDWSA-N -1 3 438.149 -0.262 20 0 IBADHM [O-]C(=C(O)c1nc(-c2ccc(F)cc2I)no1)[C@@H](O)[C@@H](O)CO ZINC001247615748 1073529632 /nfs/dbraw/zinc/52/96/32/1073529632.db2.gz VPTWOBDNQKWWGR-LPEHRKFASA-N -1 3 438.149 -0.262 20 0 IBADHM [O-]C(=C(O)c1nc(-c2ccc(F)cc2I)no1)[C@H](O)[C@H](O)CO ZINC001247615749 1073529749 /nfs/dbraw/zinc/52/97/49/1073529749.db2.gz VPTWOBDNQKWWGR-OPRDCNLKSA-N -1 3 438.149 -0.262 20 0 IBADHM [O-]C(=C(O)c1nc(-c2cc(F)cc(I)c2)no1)[C@H](O)[C@@H](O)CO ZINC001247615807 1073529648 /nfs/dbraw/zinc/52/96/48/1073529648.db2.gz WALQATAWKXQVHA-IVZWLZJFSA-N -1 3 438.149 -0.262 20 0 IBADHM [O-]C(=C(O)c1nc(-c2cc(F)cc(I)c2)no1)[C@@H](O)[C@H](O)CO ZINC001247615809 1073529456 /nfs/dbraw/zinc/52/94/56/1073529456.db2.gz WALQATAWKXQVHA-KXUCPTDWSA-N -1 3 438.149 -0.262 20 0 IBADHM [O-]C(=C(O)c1nc(-c2cc(F)cc(I)c2)no1)[C@@H](O)[C@@H](O)CO ZINC001247615810 1073529667 /nfs/dbraw/zinc/52/96/67/1073529667.db2.gz WALQATAWKXQVHA-LPEHRKFASA-N -1 3 438.149 -0.262 20 0 IBADHM [O-]C(=C(O)c1nc(-c2cc(F)cc(I)c2)no1)[C@H](O)[C@H](O)CO ZINC001247615812 1073529712 /nfs/dbraw/zinc/52/97/12/1073529712.db2.gz WALQATAWKXQVHA-OPRDCNLKSA-N -1 3 438.149 -0.262 20 0 IBADHM [O-]C(=C(O)c1nc(-c2ccc(I)cc2F)no1)[C@H](O)[C@@H](O)CO ZINC001247616346 1073529482 /nfs/dbraw/zinc/52/94/82/1073529482.db2.gz WJKWTXFIIVUFJA-IVZWLZJFSA-N -1 3 438.149 -0.262 20 0 IBADHM [O-]C(=C(O)c1nc(-c2ccc(I)cc2F)no1)[C@@H](O)[C@H](O)CO ZINC001247616347 1073529512 /nfs/dbraw/zinc/52/95/12/1073529512.db2.gz WJKWTXFIIVUFJA-KXUCPTDWSA-N -1 3 438.149 -0.262 20 0 IBADHM [O-]C(=C(O)c1nc(-c2ccc(I)cc2F)no1)[C@@H](O)[C@@H](O)CO ZINC001247616348 1073529692 /nfs/dbraw/zinc/52/96/92/1073529692.db2.gz WJKWTXFIIVUFJA-LPEHRKFASA-N -1 3 438.149 -0.262 20 0 IBADHM [O-]C(=C(O)c1nc(-c2ccc(I)cc2F)no1)[C@H](O)[C@H](O)CO ZINC001247616349 1073529768 /nfs/dbraw/zinc/52/97/68/1073529768.db2.gz WJKWTXFIIVUFJA-OPRDCNLKSA-N -1 3 438.149 -0.262 20 0 IBADHM Cc1ccc(-c2noc(C(O)=C([O-])[C@@H](O)[C@@H](O)CO)n2)cc1I ZINC001247616354 1073529561 /nfs/dbraw/zinc/52/95/61/1073529561.db2.gz WJZDINSYUOKBGS-GARJFASQSA-N -1 3 434.186 -0.093 20 0 IBADHM Cc1ccc(-c2noc(C(O)=C([O-])[C@H](O)[C@H](O)CO)n2)cc1I ZINC001247616355 1073529732 /nfs/dbraw/zinc/52/97/32/1073529732.db2.gz WJZDINSYUOKBGS-GMTAPVOTSA-N -1 3 434.186 -0.093 20 0 IBADHM Cc1ccc(-c2noc(C(O)=C([O-])[C@H](O)[C@@H](O)CO)n2)cc1I ZINC001247616356 1073529390 /nfs/dbraw/zinc/52/93/90/1073529390.db2.gz WJZDINSYUOKBGS-HBNTYKKESA-N -1 3 434.186 -0.093 20 0 IBADHM Cc1ccc(-c2noc(C(O)=C([O-])[C@@H](O)[C@H](O)CO)n2)cc1I ZINC001247616357 1073529590 /nfs/dbraw/zinc/52/95/90/1073529590.db2.gz WJZDINSYUOKBGS-OUAUKWLOSA-N -1 3 434.186 -0.093 20 0 IBADHM [O-]C(=C(O)c1nc(-c2cccc(F)c2I)no1)[C@@H](O)[C@H](O)CO ZINC001247616762 1073529788 /nfs/dbraw/zinc/52/97/88/1073529788.db2.gz XRJXKMKZIRAEGO-FKTZTGRPSA-N -1 3 438.149 -0.262 20 0 IBADHM [O-]C(=C(O)c1nc(-c2cccc(F)c2I)no1)[C@H](O)[C@@H](O)CO ZINC001247616763 1073529535 /nfs/dbraw/zinc/52/95/35/1073529535.db2.gz XRJXKMKZIRAEGO-FXBDTBDDSA-N -1 3 438.149 -0.262 20 0 IBADHM [O-]C(=C(O)c1nc(-c2cccc(F)c2I)no1)[C@H](O)[C@H](O)CO ZINC001247616764 1073529610 /nfs/dbraw/zinc/52/96/10/1073529610.db2.gz XRJXKMKZIRAEGO-SZEHBUNVSA-N -1 3 438.149 -0.262 20 0 IBADHM [O-]C(=C(O)c1nc(-c2cccc(F)c2I)no1)[C@@H](O)[C@@H](O)CO ZINC001247616765 1073529432 /nfs/dbraw/zinc/52/94/32/1073529432.db2.gz XRJXKMKZIRAEGO-UJNFCWOMSA-N -1 3 438.149 -0.262 20 0 IBADHM [O-]C(=C(O)c1nc(-c2cccc(I)c2F)no1)[C@@H](O)[C@H](O)CO ZINC001247617332 1073530408 /nfs/dbraw/zinc/53/04/08/1073530408.db2.gz YMYFIVVRNGQZMY-FKTZTGRPSA-N -1 3 438.149 -0.262 20 0 IBADHM [O-]C(=C(O)c1nc(-c2cccc(I)c2F)no1)[C@H](O)[C@@H](O)CO ZINC001247617333 1073530131 /nfs/dbraw/zinc/53/01/31/1073530131.db2.gz YMYFIVVRNGQZMY-FXBDTBDDSA-N -1 3 438.149 -0.262 20 0 IBADHM [O-]C(=C(O)c1nc(-c2cccc(I)c2F)no1)[C@H](O)[C@H](O)CO ZINC001247617334 1073530300 /nfs/dbraw/zinc/53/03/00/1073530300.db2.gz YMYFIVVRNGQZMY-SZEHBUNVSA-N -1 3 438.149 -0.262 20 0 IBADHM [O-]C(=C(O)c1nc(-c2cccc(I)c2F)no1)[C@@H](O)[C@@H](O)CO ZINC001247617335 1073530316 /nfs/dbraw/zinc/53/03/16/1073530316.db2.gz YMYFIVVRNGQZMY-UJNFCWOMSA-N -1 3 438.149 -0.262 20 0 IBADHM COc1cc(Br)c(-c2noc(C(O)=C([O-])[C@H](O)[C@H](O)CO)n2)cc1OC ZINC001247617390 1073530109 /nfs/dbraw/zinc/53/01/09/1073530109.db2.gz ZEFIMZZZDBSABO-GGZOMVNGSA-N -1 3 433.211 -0.226 20 0 IBADHM COc1cc(Br)c(-c2noc(C(O)=C([O-])[C@@H](O)[C@H](O)CO)n2)cc1OC ZINC001247617391 1073530336 /nfs/dbraw/zinc/53/03/36/1073530336.db2.gz ZEFIMZZZDBSABO-JFUSQASVSA-N -1 3 433.211 -0.226 20 0 IBADHM COc1cc(Br)c(-c2noc(C(O)=C([O-])[C@@H](O)[C@@H](O)CO)n2)cc1OC ZINC001247617392 1073530425 /nfs/dbraw/zinc/53/04/25/1073530425.db2.gz ZEFIMZZZDBSABO-KPXOXKRLSA-N -1 3 433.211 -0.226 20 0 IBADHM COc1cc(Br)c(-c2noc(C(O)=C([O-])[C@H](O)[C@@H](O)CO)n2)cc1OC ZINC001247617393 1073530360 /nfs/dbraw/zinc/53/03/60/1073530360.db2.gz ZEFIMZZZDBSABO-XXILOJSOSA-N -1 3 433.211 -0.226 20 0 IBADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)OCC(=O)N[C@@H]2CCS(=O)(=O)C2)ccc1F ZINC001248621352 1073535936 /nfs/dbraw/zinc/53/59/36/1073535936.db2.gz IBNPLCXZZSCPOG-GFCCVEGCSA-N -1 3 436.483 -0.028 20 0 IBADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)OCC(=O)N[C@H]2CCS(=O)(=O)C2)ccc1F ZINC001248621358 1073535759 /nfs/dbraw/zinc/53/57/59/1073535759.db2.gz IBNPLCXZZSCPOG-LBPRGKRZSA-N -1 3 436.483 -0.028 20 0 IBADHM O=S(=O)([N-]c1[nH]c(=S)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)c1cccs1 ZINC001250875936 1073538564 /nfs/dbraw/zinc/53/85/64/1073538564.db2.gz PNDJGEQMVJOOGB-ZRFIDHNTSA-N -1 3 445.504 -0.411 20 0 IBADHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC001251256914 1073544519 /nfs/dbraw/zinc/54/45/19/1073544519.db2.gz DAGNDTITCRMCFW-JTQLQIEISA-N -1 3 435.300 -0.957 20 0 IBADHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC001251256915 1073544707 /nfs/dbraw/zinc/54/47/07/1073544707.db2.gz DAGNDTITCRMCFW-SNVBAGLBSA-N -1 3 435.300 -0.957 20 0 IBADHM NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)C[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC001251381003 1073545992 /nfs/dbraw/zinc/54/59/92/1073545992.db2.gz ONRSVUSYIVWKNK-NSHDSACASA-N -1 3 437.305 -0.136 20 0 IBADHM O=S(=O)([N-]c1ccc(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1)c1ccc(F)cc1 ZINC001251665396 1073548867 /nfs/dbraw/zinc/54/88/67/1073548867.db2.gz ZGAYVMBLAHBNJR-DISONHOPSA-N -1 3 429.422 -0.195 20 0 IBADHM O=S(=O)([N-]c1ccc(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)cc1)c1ccc(F)cc1 ZINC001251668649 1073548948 /nfs/dbraw/zinc/54/89/48/1073548948.db2.gz ZGAYVMBLAHBNJR-ZBRFXRBCSA-N -1 3 429.422 -0.195 20 0 IBADHM COc1ccc(S(=O)(=O)[N-]c2ccc(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)cc2)cc1 ZINC001251939674 1073553962 /nfs/dbraw/zinc/55/39/62/1073553962.db2.gz VKHKOEJVFKIKIA-GFEQUFNTSA-N -1 3 441.458 -0.325 20 0 IBADHM COc1ccc(S(=O)(=O)[N-]c2ccc(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)cc2)cc1 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