smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [O-]c1ccc(-c2noc(-c3cc(Cl)ccc3[O-])n2)c(Cl)c1 ZINC000445444460 337838873 /nfs/dbraw/zinc/83/88/73/337838873.db2.gz FZDPUGBPDYZNTJ-UHFFFAOYSA-N -2 3 323.135 4.122 20 0 DIADHL O=c1[n-]c(-c2ccc([O-])c(Cl)c2)nc2cc(Cl)ccc12 ZINC000436594850 338279141 /nfs/dbraw/zinc/27/91/41/338279141.db2.gz JGJGFQGASFGGPN-UHFFFAOYSA-N -2 3 307.136 4.015 20 0 DIADHL CCCc1cc(=O)[n-]c(C(=Cc2cccc([O-])c2Cl)CC)n1 ZINC000453025903 338786681 /nfs/dbraw/zinc/78/66/81/338786681.db2.gz MKKDEHKWSCQLQD-PKNBQFBNSA-N -2 3 318.804 4.444 20 0 DIADHL Cc1ccc(Nc2ccc(C(=O)[O-])c(Cl)c2)c(Cl)c1[O-] ZINC001175320022 1048263012 /nfs/dbraw/zinc/26/30/12/1048263012.db2.gz LZBUOAIRMIMRSW-UHFFFAOYSA-N -2 3 312.152 4.449 20 0 DIADHL Cc1ccc(Nc2ccc(F)c(C(=O)[O-])c2F)c(Cl)c1[O-] ZINC001215279109 1051148305 /nfs/dbraw/zinc/14/83/05/1051148305.db2.gz ZTPMJRIZEMNNLX-UHFFFAOYSA-N -2 3 313.687 4.074 20 0 DIADHL Cc1ccc(Nc2cc(C)c(C(=O)[O-])c(C)c2)c(Cl)c1[O-] ZINC001216312060 1051690621 /nfs/dbraw/zinc/69/06/21/1051690621.db2.gz ZCOKFOREWQEOSE-UHFFFAOYSA-N -2 3 305.761 4.413 20 0 DIADHL CC(C)C[C@H](C)C[C@H](CC(C)C)OCCCCP(=O)([O-])[O-] ZINC001225023672 1052744931 /nfs/dbraw/zinc/74/49/31/1052744931.db2.gz ZPYPMXGKMCVLJR-HOTGVXAUSA-N -2 3 322.426 4.448 20 0 DIADHL CCCCCC[C@H](CCCC)OCCCCP(=O)([O-])[O-] ZINC001225018940 1052743935 /nfs/dbraw/zinc/74/39/35/1052743935.db2.gz MISGYSFSIFVKQO-HNNXBMFYSA-N -2 3 308.399 4.490 20 0 DIADHL [O-]c1cc(F)c(Nc2cc([O-])c(Cl)cc2F)cc1Cl ZINC001250024336 1060552474 /nfs/dbraw/zinc/55/24/74/1060552474.db2.gz YSUBOLLLILSIBV-UHFFFAOYSA-N -2 3 306.095 4.426 20 0 DIADHL CC(C)c1ccc2nc(-c3ccc([O-])c(Cl)c3)[n-]c(=O)c2c1 ZINC000057771930 190688980 /nfs/dbraw/zinc/68/89/80/190688980.db2.gz OQPFFEKTGPKSNH-UHFFFAOYSA-N -2 3 314.772 4.073 20 0 DIADHL [O-]c1ccc(-c2nc(-c3ccc([O-])c4ccccc34)no2)c(F)c1 ZINC000436614452 338280107 /nfs/dbraw/zinc/28/01/07/338280107.db2.gz XSAZHGWGMIKWLI-UHFFFAOYSA-N -2 3 322.295 4.107 20 0 DIADHL CCc1ccc(-c2nc(-c3ccc([O-])cc3Cl)no2)c([O-])c1 ZINC000436870656 338290870 /nfs/dbraw/zinc/29/08/70/338290870.db2.gz QTEVVYKBXPPNTK-UHFFFAOYSA-N -2 3 316.744 4.031 20 0 DIADHL CCCc1cc(=O)[n-]c(C(=Cc2cccc([O-])c2Cl)CC)n1 ZINC000453025900 338786675 /nfs/dbraw/zinc/78/66/75/338786675.db2.gz MKKDEHKWSCQLQD-LUAWRHEFSA-N -2 3 318.804 4.444 20 0 DIADHL [O-]c1ccc(-c2noc(-c3cc4ccccc4cc3[O-])n2)cc1F ZINC000325811467 1047213944 /nfs/dbraw/zinc/21/39/44/1047213944.db2.gz HNTJMYAXCLVWKQ-UHFFFAOYSA-N -2 3 322.295 4.107 20 0 DIADHL CCCCCC(CCCCC)OCCCCP(=O)([O-])[O-] ZINC001225019188 1050229204 /nfs/dbraw/zinc/22/92/04/1050229204.db2.gz UKJWQCWQBMTSQE-UHFFFAOYSA-N -2 3 308.399 4.490 20 0 DIADHL [O-]c1ccc(Nc2cc(Cl)c([O-])c(Cl)c2)c(F)c1F ZINC001210928175 1050418075 /nfs/dbraw/zinc/41/80/75/1050418075.db2.gz YDBFYEKBAHJGAI-UHFFFAOYSA-N -2 3 306.095 4.426 20 0 DIADHL [O-]c1cc(Nc2cc(Cl)c([O-])c(Cl)c2)c(F)cc1F ZINC001210927942 1050418236 /nfs/dbraw/zinc/41/82/36/1050418236.db2.gz TXSPKFPJJYQESA-UHFFFAOYSA-N -2 3 306.095 4.426 20 0 DIADHL Cc1c(Cl)c(Nc2ccc([O-])c(Cl)c2)ccc1C(=O)[O-] ZINC001215692907 1051306526 /nfs/dbraw/zinc/30/65/26/1051306526.db2.gz RHXXAJNMHRFYMU-UHFFFAOYSA-N -2 3 312.152 4.449 20 0 DIADHL O=C([O-])c1c(Cl)ccc(Nc2cccc([O-])c2Cl)c1F ZINC001215697525 1051309521 /nfs/dbraw/zinc/30/95/21/1051309521.db2.gz CGDHFUANFNDQEF-UHFFFAOYSA-N -2 3 316.115 4.280 20 0 DIADHL O=c1[n-]c(F)c(Cl)c(Nc2ccc(Cl)c([O-])c2)c1Cl ZINC001212589312 1051586165 /nfs/dbraw/zinc/58/61/65/1051586165.db2.gz FPKQAGZENHILTH-UHFFFAOYSA-N -2 3 323.538 4.336 20 0 DIADHL CC(C)C[C@@H](C)C[C@H](CC(C)C)OCCCCP(=O)([O-])[O-] ZINC001225023668 1052745066 /nfs/dbraw/zinc/74/50/66/1052745066.db2.gz ZPYPMXGKMCVLJR-CVEARBPZSA-N -2 3 322.426 4.448 20 0 DIADHL O=C([O-])c1cc(-c2ccc3c(c2)[N-]C(=S)C3)c(F)cc1Cl ZINC001244615026 1058010453 /nfs/dbraw/zinc/01/04/53/1058010453.db2.gz KPNKZIGRUCFRAS-UHFFFAOYSA-N -2 3 321.760 4.140 20 0 DIADHL O=C(Nc1cc(Cl)c([O-])c2ccccc12)c1ccccc1[O-] ZINC001301155527 1065053804 /nfs/dbraw/zinc/05/38/04/1065053804.db2.gz AJPCLVPIUGVFBG-UHFFFAOYSA-N -2 3 313.740 4.157 20 0 DIADHL O=C([O-])c1ccc2nc(/C=C\c3ccc([O-])c(F)c3)sc2c1 ZINC000436914142 338293312 /nfs/dbraw/zinc/29/33/12/338293312.db2.gz KUJIJDWPVCZFEG-KXFIGUGUSA-N -2 3 315.325 4.010 20 0 DIADHL CCCc1cc(=O)[n-]c(C(=Cc2ccc([O-])c(Cl)c2)CC)n1 ZINC000436963093 338296020 /nfs/dbraw/zinc/29/60/20/338296020.db2.gz BKALQNWDNXGMBR-XYOKQWHBSA-N -2 3 318.804 4.032 20 0 DIADHL [O-]c1c(Cl)cc(Nc2ccnc(Cl)c2[O-])cc1Cl ZINC001210927298 1050418820 /nfs/dbraw/zinc/41/88/20/1050418820.db2.gz OLFGBXZTMXDDIJ-UHFFFAOYSA-N -2 3 305.548 4.197 20 0 DIADHL O=C(Nc1cccc(Cl)c1[O-])c1cc2sccc2c([O-])c1 ZINC000788303920 1050664866 /nfs/dbraw/zinc/66/48/66/1050664866.db2.gz XBBTUVODKYBWGY-UHFFFAOYSA-N -2 3 319.769 4.218 20 0 DIADHL Cc1c(C(=O)[O-])ccc(Nc2ccc([O-])c(F)c2F)c1Cl ZINC001215691973 1051305236 /nfs/dbraw/zinc/30/52/36/1051305236.db2.gz BBDGNEURXCKZJP-UHFFFAOYSA-N -2 3 313.687 4.074 20 0 DIADHL O=P([O-])([O-])CCCCO[C@@H]1CCCC[C@@H]1C1CCCCC1 ZINC001225018711 1052743809 /nfs/dbraw/zinc/74/38/09/1052743809.db2.gz GGYITKRUPVFSHI-HZPDHXFCSA-N -2 3 318.394 4.100 20 0 DIADHL O=C(Nc1cccc(Cl)c1[O-])c1ccc2ccccc2c1[O-] ZINC000436870450 338290841 /nfs/dbraw/zinc/29/08/41/338290841.db2.gz FGGWDGVSFGZFGJ-UHFFFAOYSA-N -2 3 313.740 4.157 20 0 DIADHL [O-]c1ccc(F)c(Nc2ccc3[n-]c(=S)sc3c2)c1F ZINC001175269041 1048248081 /nfs/dbraw/zinc/24/80/81/1048248081.db2.gz YGWWGVPZYXYEFO-UHFFFAOYSA-N -2 3 310.350 4.312 20 0 DIADHL O=C([O-])c1cc(Nc2cc(Cl)c([O-])cc2Cl)cs1 ZINC001176439536 1048673069 /nfs/dbraw/zinc/67/30/69/1048673069.db2.gz ZCCPFAAKGHSPNH-UHFFFAOYSA-N -2 3 304.154 4.202 20 0 DIADHL O=C([O-])c1cc(Nc2ccc([O-])c(Cl)c2)c(F)cc1Cl ZINC001214746227 1050991848 /nfs/dbraw/zinc/99/18/48/1050991848.db2.gz VECKHLZSQJBTNU-UHFFFAOYSA-N -2 3 316.115 4.280 20 0 DIADHL CCCCCC[C@@H](CCCC)OCCCCP(=O)([O-])[O-] ZINC001225018941 1052743750 /nfs/dbraw/zinc/74/37/50/1052743750.db2.gz MISGYSFSIFVKQO-OAHLLOKOSA-N -2 3 308.399 4.490 20 0 DIADHL CCCCC[C@H](OCCCCP(=O)([O-])[O-])[C@@H](C)CCC ZINC001225019615 1052744670 /nfs/dbraw/zinc/74/46/70/1052744670.db2.gz YXEYVNOOMDHSDZ-GJZGRUSLSA-N -2 3 308.399 4.346 20 0 DIADHL O=C([O-])C/C(=C\c1cccc([O-])c1)c1nc2ccccc2s1 ZINC000005829343 181287568 /nfs/dbraw/zinc/28/75/68/181287568.db2.gz BZUAEDSCKGHVFY-XYOKQWHBSA-N -2 3 311.362 4.017 20 0 DIADHL [O-]c1ccc(Nc2ccc3[n-]c(=S)sc3c2)c(F)c1F ZINC001212009566 1046819023 /nfs/dbraw/zinc/81/90/23/1046819023.db2.gz SNUJCXYCGWRQNA-UHFFFAOYSA-N -2 3 310.350 4.312 20 0 DIADHL [O-]c1cc(F)c(Nc2ccc(Cl)c(Cl)c2[O-])c(F)c1 ZINC001175100115 1048116061 /nfs/dbraw/zinc/11/60/61/1048116061.db2.gz WEXYUYHROLKWRW-UHFFFAOYSA-N -2 3 306.095 4.426 20 0 DIADHL Cc1ccc(Nc2ccc(CCC(=O)[O-])cc2)c(Cl)c1[O-] ZINC001213632138 1050703416 /nfs/dbraw/zinc/70/34/16/1050703416.db2.gz XOWPAXDBJNMTKH-UHFFFAOYSA-N -2 3 305.761 4.115 20 0 DIADHL O=P([O-])([O-])CCCCOC1CCC(C2CCCCC2)CC1 ZINC001225018978 1052744127 /nfs/dbraw/zinc/74/41/27/1052744127.db2.gz NJKZHFQHZILLSB-UHFFFAOYSA-N -2 3 318.394 4.100 20 0 DIADHL CCCCC[C@H](OCCCCP(=O)([O-])[O-])[C@H](C)CCC ZINC001225019614 1052744984 /nfs/dbraw/zinc/74/49/84/1052744984.db2.gz YXEYVNOOMDHSDZ-CABCVRRESA-N -2 3 308.399 4.346 20 0 DIADHL CC(C)c1ccc(-c2nc(-c3ccc([O-])c(F)c3)no2)c([O-])c1 ZINC000445482487 338496479 /nfs/dbraw/zinc/49/64/79/338496479.db2.gz QDCFCSZPVAAEKR-UHFFFAOYSA-N -2 3 314.316 4.077 20 0 DIADHL CC(C)c1ccc(-c2nc(-c3ccc([O-])cc3F)no2)c([O-])c1 ZINC000445462607 338027625 /nfs/dbraw/zinc/02/76/25/338027625.db2.gz LFKAVNRQZWJVNE-UHFFFAOYSA-N -2 3 314.316 4.077 20 0 DIADHL O=C(Nc1cccc(Cl)c1[O-])c1cc2ccccc2cc1[O-] ZINC000436714134 338283744 /nfs/dbraw/zinc/28/37/44/338283744.db2.gz SPCXJTLBQQRPNF-UHFFFAOYSA-N -2 3 313.740 4.157 20 0 DIADHL CC(C)c1ccc2nc(-c3cc([O-])cc(Cl)c3)[n-]c(=O)c2c1 ZINC000487474999 339754784 /nfs/dbraw/zinc/75/47/84/339754784.db2.gz OYZPFCZLYCBKIG-UHFFFAOYSA-N -2 3 314.772 4.485 20 0 DIADHL [O-]c1cc(F)c(Nc2ccc(Cl)c(Cl)c2[O-])cc1F ZINC001215573352 1037382996 /nfs/dbraw/zinc/38/29/96/1037382996.db2.gz GSRHBBGVBUZVAB-UHFFFAOYSA-N -2 3 306.095 4.426 20 0 DIADHL Cc1ccc(Nc2ccc(C3(C(=O)[O-])CC3)cc2)c(Cl)c1[O-] ZINC001176587939 1048716291 /nfs/dbraw/zinc/71/62/91/1048716291.db2.gz CTAFARQXIZYUQK-UHFFFAOYSA-N -2 3 317.772 4.214 20 0 DIADHL Cc1ccc(Nc2cc(F)c(F)c(C(=O)[O-])c2)c(Cl)c1[O-] ZINC001215467453 1051211612 /nfs/dbraw/zinc/21/16/12/1051211612.db2.gz CBZWMWPWOQETNY-UHFFFAOYSA-N -2 3 313.687 4.074 20 0 DIADHL O=P([O-])([O-])CCCCO[C@@H]1CCCC[C@H]1C1CCCCC1 ZINC001225018712 1052743851 /nfs/dbraw/zinc/74/38/51/1052743851.db2.gz GGYITKRUPVFSHI-JKSUJKDBSA-N -2 3 318.394 4.100 20 0 DIADHL O=C([O-])c1ccc(-c2ccc3c(c2)[N-]C(=S)C3)cc1Cl ZINC001241349246 1057022428 /nfs/dbraw/zinc/02/24/28/1057022428.db2.gz BWYHEMXBXVYYSW-UHFFFAOYSA-N -2 3 303.770 4.001 20 0 DIADHL Cc1ccc(Nc2ccc(C(=O)[O-])c(F)c2F)c(Cl)c1[O-] ZINC001212514388 1057162450 /nfs/dbraw/zinc/16/24/50/1057162450.db2.gz QEFAOIIBFGSNNY-UHFFFAOYSA-N -2 3 313.687 4.074 20 0 DIADHL O=C([O-])c1nc(/C=C/c2ccc([O-])cc2)sc1-c1ccccc1 ZINC000436885218 338291821 /nfs/dbraw/zinc/29/18/21/338291821.db2.gz GIZFVIMHRLPTDT-DHZHZOJOSA-N -2 3 323.373 4.384 20 0 DIADHL Cc1ccc(Nc2ccc(/C=C/C(=O)[O-])cc2)c(Cl)c1[O-] ZINC001176596199 1048721895 /nfs/dbraw/zinc/72/18/95/1048721895.db2.gz ZNRSCVXWQMRLCR-WEVVVXLNSA-N -2 3 303.745 4.195 20 0 DIADHL Cc1ccc(Nc2cc(C(=O)[O-])cc(F)c2C)c(Cl)c1[O-] ZINC001210008291 1050121261 /nfs/dbraw/zinc/12/12/61/1050121261.db2.gz VIYOIUSTWWURCI-UHFFFAOYSA-N -2 3 309.724 4.243 20 0 DIADHL O=C([O-])c1cc(Nc2cccc([O-])c2Cl)c(F)cc1Cl ZINC001214748544 1050992139 /nfs/dbraw/zinc/99/21/39/1050992139.db2.gz XEQGSAXATPOMSM-UHFFFAOYSA-N -2 3 316.115 4.280 20 0 DIADHL Cc1c(C(=O)[O-])ccc(Nc2cc(F)c([O-])c(F)c2)c1Cl ZINC001215692722 1051307175 /nfs/dbraw/zinc/30/71/75/1051307175.db2.gz NKAMOJBPXCQRSN-UHFFFAOYSA-N -2 3 313.687 4.074 20 0 DIADHL CCCCC[C@@H](OCCCCP(=O)([O-])[O-])[C@@H](C)CCC ZINC001225019617 1052744768 /nfs/dbraw/zinc/74/47/68/1052744768.db2.gz YXEYVNOOMDHSDZ-LSDHHAIUSA-N -2 3 308.399 4.346 20 0 DIADHL Cc1ccc(C(=O)c2ccc([O-])c(O[C@@H](C)C3=CC=C[CH]3)c2)cc1 ZINC001229537537 1053347644 /nfs/dbraw/zinc/34/76/44/1053347644.db2.gz MBEDUCQIRVOTJN-HNNXBMFYSA-N -2 3 319.380 4.399 20 0 DIADHL O=C([O-])c1c(Cl)ccc(-c2ccc3c(c2)[N-]C(=S)C3)c1F ZINC001236177751 1054978480 /nfs/dbraw/zinc/97/84/80/1054978480.db2.gz JVJSWRXEZQXWST-UHFFFAOYSA-N -2 3 321.760 4.140 20 0 DIADHL O=C(Nc1cccc(Cl)c1[O-])c1cc([O-])c2ccccc2c1 ZINC000472424267 1055717970 /nfs/dbraw/zinc/71/79/70/1055717970.db2.gz FQAFMYKEJSUEOC-UHFFFAOYSA-N -2 3 313.740 4.157 20 0 DIADHL [O-]c1c(F)cc(Nc2ccc3[n-]c(=S)sc3c2)cc1F ZINC001213381752 1039276693 /nfs/dbraw/zinc/27/66/93/1039276693.db2.gz DZPFGVIDCLVLEN-UHFFFAOYSA-N -2 3 310.350 4.312 20 0 DIADHL [O-]c1ccc(-c2noc(-c3ccc(Cl)cc3[O-])n2)c(Cl)c1 ZINC000445448378 1044718590 /nfs/dbraw/zinc/71/85/90/1044718590.db2.gz LBFQIVFTELHYCX-UHFFFAOYSA-N -2 3 323.135 4.122 20 0 DIADHL Cc1ccc(Nc2cc(F)c(C(=O)[O-])c(F)c2)c(Cl)c1[O-] ZINC001203330365 1048873557 /nfs/dbraw/zinc/87/35/57/1048873557.db2.gz UKQHTUZIVZEULA-UHFFFAOYSA-N -2 3 313.687 4.074 20 0 DIADHL O=c1[n-]c(F)c(Cl)c(Nc2cccc([O-])c2Cl)c1Cl ZINC001210852078 1050390569 /nfs/dbraw/zinc/39/05/69/1050390569.db2.gz UWERMCLXTOHXJP-UHFFFAOYSA-N -2 3 323.538 4.336 20 0 DIADHL [O-]c1cc(F)cc(F)c1Nc1cc(Cl)c([O-])c(Cl)c1 ZINC001210927829 1050418154 /nfs/dbraw/zinc/41/81/54/1050418154.db2.gz QFKZJLLSOPADSK-UHFFFAOYSA-N -2 3 306.095 4.426 20 0 DIADHL O=C([O-])c1sccc1Nc1cc(Cl)c([O-])cc1Cl ZINC001215394017 1051186028 /nfs/dbraw/zinc/18/60/28/1051186028.db2.gz GIVSDNUIKREDKL-UHFFFAOYSA-N -2 3 304.154 4.202 20 0 DIADHL Cc1ccc(C(=O)c2ccc([O-])c(O[C@H](C)C3=CC=C[CH]3)c2)cc1 ZINC001229537538 1053347580 /nfs/dbraw/zinc/34/75/80/1053347580.db2.gz MBEDUCQIRVOTJN-OAHLLOKOSA-N -2 3 319.380 4.399 20 0 DIADHL O=C([O-])/C=C/c1ccccc1-c1ccc([O-])c(C(F)(F)F)c1 ZINC001242162375 1057284728 /nfs/dbraw/zinc/28/47/28/1057284728.db2.gz MSQJXPDBZMYQPZ-SOFGYWHQSA-N -2 3 308.255 4.176 20 0 DIADHL CCCc1cc(=O)[n-]c(C(=Cc2ccc([O-])c(Cl)c2)CC)n1 ZINC000193619319 337078633 /nfs/dbraw/zinc/07/86/33/337078633.db2.gz BKALQNWDNXGMBR-WQLSENKSSA-N -2 3 318.804 4.032 20 0 DIADHL [O-]c1cc(Nc2c(F)cc(F)c([O-])c2F)c(F)cc1Cl ZINC001176672118 1048755561 /nfs/dbraw/zinc/75/55/61/1048755561.db2.gz UGAOBJMXIJBKFI-UHFFFAOYSA-N -2 3 307.630 4.051 20 0 DIADHL [O-]c1c(F)cc(F)c([N-]c2nc3cc(Cl)ccc3o2)c1F ZINC001176662777 1048768465 /nfs/dbraw/zinc/76/84/65/1048768465.db2.gz WXKIEXIQEIPCRI-UHFFFAOYSA-N -2 3 314.650 4.348 20 0 DIADHL O=c1[n-]c(F)c(Cl)c(Nc2cccc(Cl)c2[O-])c1Cl ZINC001210218418 1050164034 /nfs/dbraw/zinc/16/40/34/1050164034.db2.gz KXYSJSYYQWQAQE-UHFFFAOYSA-N -2 3 323.538 4.336 20 0 DIADHL [O-]c1c(F)cc(Br)cc1Nc1cccc([S-])c1 ZINC001210948578 1050430026 /nfs/dbraw/zinc/43/00/26/1050430026.db2.gz WYMLMNPJPDMJOD-UHFFFAOYSA-N -2 3 314.179 4.326 20 0 DIADHL CCOc1ccc(C(=O)[O-])cc1Nc1ccc(C)c([O-])c1Cl ZINC001214276536 1050859571 /nfs/dbraw/zinc/85/95/71/1050859571.db2.gz KXFZUROLYOQXLG-UHFFFAOYSA-N -2 3 321.760 4.195 20 0 DIADHL Cc1c(Cl)c(Nc2cccc(Cl)c2[O-])ccc1C(=O)[O-] ZINC001215691988 1051304603 /nfs/dbraw/zinc/30/46/03/1051304603.db2.gz BIVZDPKWDJDAMZ-UHFFFAOYSA-N -2 3 312.152 4.449 20 0 DIADHL O=C([O-])c1c(Cl)ccc(Nc2cccc(Cl)c2[O-])c1F ZINC001215697908 1051309981 /nfs/dbraw/zinc/30/99/81/1051309981.db2.gz HFPVUTGXRPZIFY-UHFFFAOYSA-N -2 3 316.115 4.280 20 0 DIADHL O=C(Nc1ccc(Cl)cc1[O-])c1ccc2ccccc2c1[O-] ZINC001447274975 1054558996 /nfs/dbraw/zinc/55/89/96/1054558996.db2.gz PGINPCORQFUUIS-UHFFFAOYSA-N -2 3 313.740 4.157 20 0 DIADHL [O-]c1ccc(-c2noc(-c3ccc4ccccc4c3[O-])n2)cc1F ZINC000392329675 337203943 /nfs/dbraw/zinc/20/39/43/337203943.db2.gz PMRBTWMPINNPCV-UHFFFAOYSA-N -2 3 322.295 4.107 20 0 DIADHL CC(C)c1ccc(C(=O)Nc2cc(F)cc(Cl)c2[O-])c([O-])c1 ZINC001625779539 1035539780 /nfs/dbraw/zinc/53/97/80/1035539780.db2.gz NVNRRMXYMSEXKX-UHFFFAOYSA-N -2 3 323.751 4.266 20 0 DIADHL O=C([O-])c1ccc(Nc2nc3c(cccc3[O-])s2)cc1Cl ZINC001175314712 1048259866 /nfs/dbraw/zinc/25/98/66/1048259866.db2.gz YDFKZOGKVSSOQY-UHFFFAOYSA-N -2 3 320.757 4.097 20 0 DIADHL [O-]c1cc(F)c(Nc2cc(Cl)c([O-])c(Cl)c2)c(F)c1 ZINC001210931297 1050420224 /nfs/dbraw/zinc/42/02/24/1050420224.db2.gz QSCGHUDQWGBCJP-UHFFFAOYSA-N -2 3 306.095 4.426 20 0 DIADHL Cc1ccc(Nc2c(F)cc(C(=O)[O-])cc2F)c(Cl)c1[O-] ZINC001215612769 1051275435 /nfs/dbraw/zinc/27/54/35/1051275435.db2.gz CNRZKAXBKGREDU-UHFFFAOYSA-N -2 3 313.687 4.074 20 0 DIADHL CCCCC[C@@H](OCCCCP(=O)([O-])[O-])[C@H](C)CCC ZINC001225019616 1052745197 /nfs/dbraw/zinc/74/51/97/1052745197.db2.gz YXEYVNOOMDHSDZ-HUUCEWRRSA-N -2 3 308.399 4.346 20 0 DIADHL C[C@@H](Oc1cc(C(=O)c2ccccc2)ccc1[O-])C1=CC=C[CH]1 ZINC001228153111 1053048066 /nfs/dbraw/zinc/04/80/66/1053048066.db2.gz AYOVGMHPTQYWPF-CQSZACIVSA-N -2 3 305.353 4.091 20 0 DIADHL [O-]c1cc(Nc2cc([O-])c(F)c(F)c2F)c(F)cc1Cl ZINC001249963305 1060507438 /nfs/dbraw/zinc/50/74/38/1060507438.db2.gz LIZATIOAPILEHQ-UHFFFAOYSA-N -2 3 307.630 4.051 20 0 DIADHL O=C(Nc1c([O-])cccc1Cl)c1ccc2ccccc2c1[O-] ZINC001468455055 1062329010 /nfs/dbraw/zinc/32/90/10/1062329010.db2.gz HXYODGVRHVTJSZ-UHFFFAOYSA-N -2 3 313.740 4.157 20 0 DIADHL Cc1ccc(-c2nc(-c3ccc([O-])cc3Cl)no2)c([O-])c1C ZINC000445449135 337858548 /nfs/dbraw/zinc/85/85/48/337858548.db2.gz UAGZXRBRYBSJGP-UHFFFAOYSA-N -2 3 316.744 4.085 20 0 DIADHL CC(C)(C)c1ccc(NC(=O)c2ccc([O-])c(Cl)c2)c([O-])c1 ZINC000436507670 338274529 /nfs/dbraw/zinc/27/45/29/338274529.db2.gz ATXWFHMUZUKZKZ-UHFFFAOYSA-N -2 3 319.788 4.301 20 0 DIADHL Cc1ccc(Nc2cc(Cl)cc(C(=O)[O-])c2)c(Cl)c1[O-] ZINC001211967251 1046568156 /nfs/dbraw/zinc/56/81/56/1046568156.db2.gz YBMQEWOUJITLQX-UHFFFAOYSA-N -2 3 312.152 4.449 20 0 DIADHL [O-]c1ccc(Cl)c(Nc2cc(F)c([O-])cc2F)c1Cl ZINC001215573466 1051254096 /nfs/dbraw/zinc/25/40/96/1051254096.db2.gz KTOCDOLNTKIMGQ-UHFFFAOYSA-N -2 3 306.095 4.426 20 0 DIADHL CC(C)C[C@@H](C)C[C@@H](CC(C)C)OCCCCP(=O)([O-])[O-] ZINC001225023676 1052744617 /nfs/dbraw/zinc/74/46/17/1052744617.db2.gz ZPYPMXGKMCVLJR-HZPDHXFCSA-N -2 3 322.426 4.448 20 0 DIADHL C[C@H](Oc1cc(C(=O)c2ccccc2)ccc1[O-])C1=CC=C[CH]1 ZINC001228153110 1053048133 /nfs/dbraw/zinc/04/81/33/1053048133.db2.gz AYOVGMHPTQYWPF-AWEZNQCLSA-N -2 3 305.353 4.091 20 0 DIADHL [O-]c1cc(Nc2cc(F)c([O-])c(Cl)c2)c(F)cc1Cl ZINC001214489209 1056691780 /nfs/dbraw/zinc/69/17/80/1056691780.db2.gz XXMMYXXGLUSECV-UHFFFAOYSA-N -2 3 306.095 4.426 20 0 DIADHL O=C([O-])c1ccc(-c2ccc3c(c2)[N-]C(=S)C3)c(Cl)c1 ZINC001245373741 1058155541 /nfs/dbraw/zinc/15/55/41/1058155541.db2.gz ADOWYTZVUNXQCP-UHFFFAOYSA-N -2 3 303.770 4.001 20 0 DIADHL O=C(Nc1cc(Cl)ccc1[O-])c1ccc2ccccc2c1[O-] ZINC001466257970 1061907336 /nfs/dbraw/zinc/90/73/36/1061907336.db2.gz MNKVOWHEHMLPAJ-UHFFFAOYSA-N -2 3 313.740 4.157 20 0 DIADHL CCc1cccc(-c2nc(-c3ccc([O-])cc3Cl)no2)c1[O-] ZINC000583182948 337258942 /nfs/dbraw/zinc/25/89/42/337258942.db2.gz IASPXKSRSMRCAI-UHFFFAOYSA-N -2 3 316.744 4.031 20 0 DIADHL [O-]c1c(Cl)cc(Nc2ccc(F)c(F)c2[O-])cc1Cl ZINC001210930711 1050420421 /nfs/dbraw/zinc/42/04/21/1050420421.db2.gz NFHMSYPXTGZNPW-UHFFFAOYSA-N -2 3 306.095 4.426 20 0 DIADHL Cc1c(C(=O)[O-])ccc(Nc2c(F)cc([O-])cc2F)c1Cl ZINC001215693031 1051306696 /nfs/dbraw/zinc/30/66/96/1051306696.db2.gz YGVSKMZOVZONJT-UHFFFAOYSA-N -2 3 313.687 4.074 20 0 DIADHL CCCCC[C@@H](OCCCCP(=O)([O-])[O-])c1ccccc1 ZINC001225019136 1052744859 /nfs/dbraw/zinc/74/48/59/1052744859.db2.gz SOQYOABMNSNZMD-MRXNPFEDSA-N -2 3 314.362 4.283 20 0 DIADHL CSc1ccccc1[N-]C(=S)Nc1c([O-])cccc1F ZINC001249701694 1060358279 /nfs/dbraw/zinc/35/82/79/1060358279.db2.gz FMPIXTBLYXFKRK-UHFFFAOYSA-N -2 3 308.403 4.062 20 0 DIADHL CC(C)(C)c1nsc([N-]c2c(F)ccc([O-])c2Cl)n1 ZINC001250228000 1060705908 /nfs/dbraw/zinc/70/59/08/1060705908.db2.gz GRCINDDULMOLII-UHFFFAOYSA-N -2 3 301.774 4.077 20 0 DIADHL [O-]c1cc(F)c(Nc2cc(Cl)c([O-])c(Cl)c2)cc1F ZINC001210928740 1050419000 /nfs/dbraw/zinc/41/90/00/1050419000.db2.gz JDCGNTMRXWUBKJ-UHFFFAOYSA-N -2 3 306.095 4.426 20 0 DIADHL [O-]c1ccc(Cl)c(Nc2cc(F)c([O-])c(F)c2)c1Cl ZINC001213384283 1050644337 /nfs/dbraw/zinc/64/43/37/1050644337.db2.gz CSTXTVFBVJUFTG-UHFFFAOYSA-N -2 3 306.095 4.426 20 0 DIADHL O=C([O-])c1c(Cl)ccc(Nc2ccc([O-])c(Cl)c2)c1F ZINC001215697552 1051309889 /nfs/dbraw/zinc/30/98/89/1051309889.db2.gz CTIGUNDCFPEIEG-UHFFFAOYSA-N -2 3 316.115 4.280 20 0 DIADHL O=P([O-])([O-])CCCCO[C@H]1CCCC[C@@H]1C1CCCCC1 ZINC001225018709 1052743905 /nfs/dbraw/zinc/74/39/05/1052743905.db2.gz GGYITKRUPVFSHI-CVEARBPZSA-N -2 3 318.394 4.100 20 0 DIADHL CCCCCC1CCC(OCCCCP(=O)([O-])[O-])CC1 ZINC001225022758 1052744972 /nfs/dbraw/zinc/74/49/72/1052744972.db2.gz RQVUMQLJJTVMMK-UHFFFAOYSA-N -2 3 306.383 4.100 20 0 DIADHL O=C([O-])c1cc(Cl)cc(-c2ccc3c(c2)[N-]C(=S)C3)c1 ZINC001243326487 1057647159 /nfs/dbraw/zinc/64/71/59/1057647159.db2.gz MWQCQKFCNUJQFA-UHFFFAOYSA-N -2 3 303.770 4.001 20 0 DIADHL CSc1ccccc1[N-]C(=S)Nc1ccc(F)c([O-])c1 ZINC001249703630 1060359397 /nfs/dbraw/zinc/35/93/97/1060359397.db2.gz WMMNTGKTQVIDJY-UHFFFAOYSA-N -2 3 308.403 4.062 20 0 DIADHL O=C([O-])c1ccc(Nc2cc(Cl)c([O-])cc2Cl)s1 ZINC001174809821 1047991678 /nfs/dbraw/zinc/99/16/78/1047991678.db2.gz UCJAJMMFRGMVIP-UHFFFAOYSA-N -2 3 304.154 4.202 20 0 DIADHL O=C([O-])c1cc(Nc2cccc(Cl)c2[O-])c(F)cc1Cl ZINC001214744894 1050989714 /nfs/dbraw/zinc/98/97/14/1050989714.db2.gz AKGLZYBYGBWYRM-UHFFFAOYSA-N -2 3 316.115 4.280 20 0 DIADHL [O-]c1cccc2sc(Nc3ccc(Cl)c([O-])c3F)nc21 ZINC001214791165 1051003214 /nfs/dbraw/zinc/00/32/14/1051003214.db2.gz ODKGNSZFNDTFSN-UHFFFAOYSA-N -2 3 310.737 4.244 20 0 DIADHL O=P([O-])([O-])CCCCO[C@H]1CCCC[C@H]1C1CCCCC1 ZINC001225018710 1052744046 /nfs/dbraw/zinc/74/40/46/1052744046.db2.gz GGYITKRUPVFSHI-HOTGVXAUSA-N -2 3 318.394 4.100 20 0 DIADHL CCCCC[C@H]1CC[C@H](OCCCCP(=O)([O-])[O-])CC1 ZINC001225019110 1052744318 /nfs/dbraw/zinc/74/43/18/1052744318.db2.gz RQVUMQLJJTVMMK-SHTZXODSSA-N -2 3 306.383 4.100 20 0 DIADHL Cc1ccc(Nc2ccc(C(=O)[O-])cc2Cl)c(Cl)c1[O-] ZINC001248557030 1059884717 /nfs/dbraw/zinc/88/47/17/1059884717.db2.gz GUVXBNCDMIQGLR-UHFFFAOYSA-N -2 3 312.152 4.449 20 0 DIADHL CC(C)c1ccc2nc(-c3ccc([O-])cc3Cl)[n-]c(=O)c2c1 ZINC000438873459 338354516 /nfs/dbraw/zinc/35/45/16/338354516.db2.gz COIVLUFNMRENHF-UHFFFAOYSA-N -2 3 314.772 4.485 20 0 DIADHL O=c1[n-]c(-c2cc([O-])cc(Cl)c2)nc2ccc(Cl)cc12 ZINC000487507052 339755286 /nfs/dbraw/zinc/75/52/86/339755286.db2.gz XJAOFKXNJILPAH-UHFFFAOYSA-N -2 3 307.136 4.015 20 0 DIADHL CCCC[C@@H](OCCCCP(=O)([O-])[O-])C1CCCCC1 ZINC001225018964 1050225395 /nfs/dbraw/zinc/22/53/95/1050225395.db2.gz NFAFLMLOHUHDPD-OAHLLOKOSA-N -2 3 306.383 4.100 20 0 DIADHL [O-]c1c(F)cc(Nc2cc(Cl)c([O-])c(Cl)c2)cc1F ZINC001210927762 1050417974 /nfs/dbraw/zinc/41/79/74/1050417974.db2.gz PFDPWBSTYHWXOT-UHFFFAOYSA-N -2 3 306.095 4.426 20 0 DIADHL Cc1cc(Nc2nc3c(cccc3[O-])s2)cc(C)c1C(=O)[O-] ZINC001216308022 1051688065 /nfs/dbraw/zinc/68/80/65/1051688065.db2.gz OGXZSEVQLWUYGY-UHFFFAOYSA-N -2 3 314.366 4.061 20 0 DIADHL Cc1ccc(Nc2cccc(/C=C/C(=O)[O-])c2)c(Cl)c1[O-] ZINC001174499645 1052177511 /nfs/dbraw/zinc/17/75/11/1052177511.db2.gz HXYMGTUFSJMOFS-SOFGYWHQSA-N -2 3 303.745 4.195 20 0 DIADHL CCCC[C@H](OCCCCP(=O)([O-])[O-])C1CCCCC1 ZINC001225018963 1052743898 /nfs/dbraw/zinc/74/38/98/1052743898.db2.gz NFAFLMLOHUHDPD-HNNXBMFYSA-N -2 3 306.383 4.100 20 0 DIADHL CCCCC[C@H](OCCCCP(=O)([O-])[O-])c1ccccc1 ZINC001225019135 1052744027 /nfs/dbraw/zinc/74/40/27/1052744027.db2.gz SOQYOABMNSNZMD-INIZCTEOSA-N -2 3 314.362 4.283 20 0 DIADHL CC(C)C[C@H](C[C@@H](C)CC(C)C)OCCCCP(=O)([O-])[O-] ZINC001225023679 1052745154 /nfs/dbraw/zinc/74/51/54/1052745154.db2.gz ZPYPMXGKMCVLJR-JKSUJKDBSA-N -2 3 322.426 4.448 20 0 DIADHL Cc1c(C(=O)[O-])ccc(-c2ccc3c(c2)[N-]C(=S)C3)c1Cl ZINC001236128785 1054961946 /nfs/dbraw/zinc/96/19/46/1054961946.db2.gz OTDYYEDGFDBXGG-UHFFFAOYSA-N -2 3 317.797 4.309 20 0 DIADHL [O-]c1ccc(-c2noc(-c3cc4ccccc4cc3[O-])n2)c(F)c1 ZINC000445460210 338019349 /nfs/dbraw/zinc/01/93/49/338019349.db2.gz OMXLWWRZVZDREP-UHFFFAOYSA-N -2 3 322.295 4.107 20 0 DIADHL [O-]c1ccc(F)cc1-c1nc(-c2ccc([O-])c3ccccc23)no1 ZINC000436613624 338279912 /nfs/dbraw/zinc/27/99/12/338279912.db2.gz RHALPJACYIFUPL-UHFFFAOYSA-N -2 3 322.295 4.107 20 0 DIADHL O=c1[n-]c(-c2cc([O-])cc(Cl)c2)nc2cc(Cl)ccc12 ZINC000487516130 339755486 /nfs/dbraw/zinc/75/54/86/339755486.db2.gz QEYMSOOJCYIHCM-UHFFFAOYSA-N -2 3 307.136 4.015 20 0 DIADHL [O-]c1ccc(-c2noc(-c3ccc([O-])c(Cl)c3)n2)c(Cl)c1 ZINC000445443681 1044724237 /nfs/dbraw/zinc/72/42/37/1044724237.db2.gz HKHIOWBKBCWKLM-UHFFFAOYSA-N -2 3 323.135 4.122 20 0 DIADHL [O-]c1ccc(Nc2ccc(Cl)c(Cl)c2[O-])c(F)c1F ZINC001212013632 1046820072 /nfs/dbraw/zinc/82/00/72/1046820072.db2.gz BDEJKTDMZYAQAW-UHFFFAOYSA-N -2 3 306.095 4.426 20 0 DIADHL [O-]c1cc(F)c(Nc2ccc3[n-]c(=S)sc3c2)c(F)c1 ZINC001175097100 1048143300 /nfs/dbraw/zinc/14/33/00/1048143300.db2.gz PHUIGIDDIFDGAB-UHFFFAOYSA-N -2 3 310.350 4.312 20 0 DIADHL [O-]c1cc(Nc2ccc(Cl)c([O-])c2F)c(F)cc1Cl ZINC001214801180 1051007704 /nfs/dbraw/zinc/00/77/04/1051007704.db2.gz CIRBPVBUBOXJME-UHFFFAOYSA-N -2 3 306.095 4.426 20 0 DIADHL Cc1c(Cl)c(Nc2cccc([O-])c2Cl)ccc1C(=O)[O-] ZINC001215692635 1051306272 /nfs/dbraw/zinc/30/62/72/1051306272.db2.gz ODUPGABIXYQBIB-UHFFFAOYSA-N -2 3 312.152 4.449 20 0 DIADHL Cc1c(C(=O)[O-])ccc(Nc2cc([O-])c(F)cc2F)c1Cl ZINC001215693137 1051306772 /nfs/dbraw/zinc/30/67/72/1051306772.db2.gz XVUVROJJAOTNCV-UHFFFAOYSA-N -2 3 313.687 4.074 20 0 DIADHL CC(C)c1ccc(C(=O)Nc2cc(Cl)c([O-])cc2F)c([O-])c1 ZINC000805256155 1051626741 /nfs/dbraw/zinc/62/67/41/1051626741.db2.gz JLBPZRVZTJDQKM-UHFFFAOYSA-N -2 3 323.751 4.266 20 0 DIADHL CC(C)(C)c1nnc([N-]c2c(F)ccc([O-])c2Cl)s1 ZINC001250228241 1060709691 /nfs/dbraw/zinc/70/96/91/1060709691.db2.gz SBASKEROHALOKN-UHFFFAOYSA-N -2 3 301.774 4.077 20 0 DIADHL