smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=[N+]([O-])c1cc(Nc2cccc(-c3ccccc3)n2)ccc1[O-] ZINC001210394309 1050230904 /nfs/dbraw/zinc/23/09/04/1050230904.db2.gz UPMWJRFWGRKFNW-UHFFFAOYSA-N -1 1 307.309 4.106 20 5 DIBDMM O=[N+]([O-])c1cc(Nc2ccc3ccc(Cl)cc3n2)ccc1[O-] ZINC001210393223 1050231309 /nfs/dbraw/zinc/23/13/09/1050231309.db2.gz VZEOCXCHPGAKAI-UHFFFAOYSA-N -1 1 315.716 4.246 20 5 DIBDMM O=[N+]([O-])c1ccc(F)c([N-]c2nc3ccccc3s2)c1F ZINC001215285330 1051150248 /nfs/dbraw/zinc/15/02/48/1051150248.db2.gz IYCXQLZOBBQKDS-UHFFFAOYSA-N -1 1 307.281 4.226 20 5 DIBDMM O=[N+]([O-])c1ccc(Cl)c(Nc2ccc(F)cc2[O-])c1Cl ZINC001215581042 1051255994 /nfs/dbraw/zinc/25/59/94/1051255994.db2.gz PECDTZXVGNMGCJ-UHFFFAOYSA-N -1 1 317.103 4.490 20 5 DIBDMM CCC(=O)c1ccc([O-])cc1O[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC001229475625 1053330926 /nfs/dbraw/zinc/33/09/26/1053330926.db2.gz BRPFQDYMFIQWCU-NSHDSACASA-N -1 1 315.325 4.033 20 5 DIBDMM C[C@H]1CCC[C@H]1Oc1ccc2c(c1)oc1cc([O-])ccc1c2=O ZINC001229518121 1053342412 /nfs/dbraw/zinc/34/24/12/1053342412.db2.gz RHUBMICBJBXVKQ-MEDUHNTESA-N -1 1 310.349 4.219 20 5 DIBDMM C[C@@H](Oc1ccc2c(c1)oc1cc([O-])ccc1c2=O)c1ccco1 ZINC001229515392 1053343350 /nfs/dbraw/zinc/34/33/50/1053343350.db2.gz QVKXBPWVBHSBKH-LLVKDONJSA-N -1 1 322.316 4.385 20 5 DIBDMM Cc1cc([O-])c(O[C@@H](C)c2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC001229752573 1053398646 /nfs/dbraw/zinc/39/86/46/1053398646.db2.gz BVJLMGTVMXCBOG-VIFPVBQESA-N -1 1 309.268 4.027 20 5 DIBDMM Cc1cc([O-])c(O[C@H](C)CCc2ccccc2)cc1[N+](=O)[O-] ZINC001229751639 1053399175 /nfs/dbraw/zinc/39/91/75/1053399175.db2.gz XCBLSHXBWSBHGE-CYBMUJFWSA-N -1 1 301.342 4.009 20 5 DIBDMM C[C@@H](Oc1ccc2c(c1)oc(=O)c1cc(O)ccc21)C1=CC=C[CH]1 ZINC001229798124 1053406344 /nfs/dbraw/zinc/40/63/44/1053406344.db2.gz RRCBSOVNFWEGBM-GFCCVEGCSA-N -1 1 319.336 4.120 20 5 DIBDMM Cc1cc([O-])c([N+](=O)[O-])c(O[C@@H](C)c2ccc3ccccc3c2)n1 ZINC001231259187 1053714589 /nfs/dbraw/zinc/71/45/89/1053714589.db2.gz GVRQZPVAZMFOAF-LBPRGKRZSA-N -1 1 324.336 4.297 20 5 DIBDMM Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc2ccccc2c1[O-] ZINC001587134977 1055225325 /nfs/dbraw/zinc/22/53/25/1055225325.db2.gz PKBAPTCJPASTRN-UHFFFAOYSA-N -1 1 322.320 4.014 20 5 DIBDMM Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cc2ccccc2cc1[O-] ZINC000000208758 1055515810 /nfs/dbraw/zinc/51/58/10/1055515810.db2.gz QSSIIYZDRCBOOK-UHFFFAOYSA-N -1 1 322.320 4.014 20 5 DIBDMM O=[N+]([O-])c1ccc([O-])cc1CN1CCCC[C@@H]1c1ccccc1 ZINC001616972690 1056749308 /nfs/dbraw/zinc/74/93/08/1056749308.db2.gz DWJAYPFKXPXOTJ-QGZVFWFLSA-N -1 1 312.369 4.028 20 5 DIBDMM [O-]c1c(F)cc(F)cc1-c1cc2cccnc2c2ncccc12 ZINC001243506612 1057697565 /nfs/dbraw/zinc/69/75/65/1057697565.db2.gz ZRYQZOGLOQJUGX-UHFFFAOYSA-N -1 1 308.287 4.434 20 5 DIBDMM O=[N+]([O-])c1cc([O-])cc(-c2nc3c(cc(Cl)cc3Cl)[nH]2)c1 ZINC001251385530 1061338009 /nfs/dbraw/zinc/33/80/09/1061338009.db2.gz FCDYYANZDIPBPZ-UHFFFAOYSA-N -1 1 324.123 4.151 20 5 DIBDMM Cc1cccc([C@H](NCc2cc([O-])ccc2[N+](=O)[O-])C(C)C)c1 ZINC001473702964 1061358660 /nfs/dbraw/zinc/35/86/60/1061358660.db2.gz VBGDUGJYKSIBTK-GOSISDBHSA-N -1 1 314.385 4.096 20 5 DIBDMM Nc1cccc(N(c2ccccc2)c2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC001201230077 1048221632 /nfs/dbraw/zinc/22/16/32/1048221632.db2.gz XCIMXRWETUZCSE-UHFFFAOYSA-N -1 1 321.336 4.352 20 5 DIBDMM Cc1cc([O-])c(O[C@@H](C)c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC001229751976 1053398714 /nfs/dbraw/zinc/39/87/14/1053398714.db2.gz ZVARRVWABDCLLH-JTQLQIEISA-N -1 1 307.733 4.402 20 5 DIBDMM CCCC[C@@H](C)Oc1c([O-])cc(Br)cc1[N+](=O)[O-] ZINC001234875195 1054611475 /nfs/dbraw/zinc/61/14/75/1054611475.db2.gz DOJVBMGYIDDQBM-MRVPVSSYSA-N -1 1 318.167 4.020 20 5 DIBDMM c1ccc2cc3cc(-c4ccc(-c5nnn[n-]5)nc4)ccc3cc2c1 ZINC001240683947 1056639702 /nfs/dbraw/zinc/63/97/02/1056639702.db2.gz XMPYKIBCDDGTDE-UHFFFAOYSA-N -1 1 323.359 4.235 20 5 DIBDMM c1ccc2cc3cc(-c4ccc(-c5nn[n-]n5)nc4)ccc3cc2c1 ZINC001240683947 1056639708 /nfs/dbraw/zinc/63/97/08/1056639708.db2.gz XMPYKIBCDDGTDE-UHFFFAOYSA-N -1 1 323.359 4.235 20 5 DIBDMM CCC[C@H](C)c1cc([N-]c2ccc(OC)cc2[N+](=O)[O-])on1 ZINC001248456952 1059843164 /nfs/dbraw/zinc/84/31/64/1059843164.db2.gz GQNMAGQMSMQSON-JTQLQIEISA-N -1 1 305.334 4.239 20 5 DIBDMM CC[C@@H](NCc1cc([O-])ccc1[N+](=O)[O-])c1cc(C)ccc1C ZINC001560070220 1059883409 /nfs/dbraw/zinc/88/34/09/1059883409.db2.gz RGQDVWAIRGFHCT-QGZVFWFLSA-N -1 1 314.385 4.158 20 5 DIBDMM Cc1ncc([N+](=O)[O-])cc1Nc1cc(Cl)c([O-])cc1Cl ZINC001249548464 1060283600 /nfs/dbraw/zinc/28/36/00/1060283600.db2.gz NPTYJKKUZSJOFP-UHFFFAOYSA-N -1 1 314.128 4.054 20 5 DIBDMM O=[N+]([O-])c1cc([O-])cc(-c2nc3c(ccc(Cl)c3Cl)[nH]2)c1 ZINC001251385519 1061338331 /nfs/dbraw/zinc/33/83/31/1061338331.db2.gz DQGJFEGSHJGEOV-UHFFFAOYSA-N -1 1 324.123 4.151 20 5 DIBDMM CC(C)n1c2ccc(F)cc2nc1-c1cc([O-])cc([N+](=O)[O-])c1 ZINC001251390139 1061340903 /nfs/dbraw/zinc/34/09/03/1061340903.db2.gz YMIJBIFBSVOXNA-UHFFFAOYSA-N -1 1 315.304 4.037 20 5 DIBDMM Cc1cccc([C@@H](NCc2cc([O-])ccc2[N+](=O)[O-])C(C)C)c1 ZINC001473702965 1061358815 /nfs/dbraw/zinc/35/88/15/1061358815.db2.gz VBGDUGJYKSIBTK-SFHVURJKSA-N -1 1 314.385 4.096 20 5 DIBDMM O=[N+]([O-])c1cccc2nc(/C=C/c3ccc([O-])c(F)c3)ccc21 ZINC000436543686 338276345 /nfs/dbraw/zinc/27/63/45/338276345.db2.gz IPRGTSDJRZXMHD-GQCTYLIASA-N -1 1 310.284 4.158 20 5 DIBDMM O=[N+]([O-])c1ccc2sc(/C=C/c3cc([O-])cc(F)c3)nc2c1 ZINC000471445639 339345122 /nfs/dbraw/zinc/34/51/22/339345122.db2.gz XPXUAULLMSZXGJ-DAFODLJHSA-N -1 1 316.313 4.220 20 5 DIBDMM Nc1ccccc1N(c1ccccc1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC001201222410 1048223184 /nfs/dbraw/zinc/22/31/84/1048223184.db2.gz NVOPJMPZGVWLFQ-UHFFFAOYSA-N -1 1 321.336 4.352 20 5 DIBDMM CC[C@@H](NCc1cc([O-])ccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000339066446 1049645913 /nfs/dbraw/zinc/64/59/13/1049645913.db2.gz QCAORKCCNJRTOK-OAHLLOKOSA-N -1 1 320.776 4.195 20 5 DIBDMM CC[C@H](NCc1cc([O-])ccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000339066445 1049646564 /nfs/dbraw/zinc/64/65/64/1049646564.db2.gz QCAORKCCNJRTOK-HNNXBMFYSA-N -1 1 320.776 4.195 20 5 DIBDMM CCCC[C@@H](Oc1[n-]ccc(=O)c1[N+](=O)[O-])c1ccccc1 ZINC001225666661 1052814004 /nfs/dbraw/zinc/81/40/04/1052814004.db2.gz KJYCBGKPYUPDJQ-CQSZACIVSA-N -1 1 302.330 4.006 20 5 DIBDMM O=[N+]([O-])c1ccc([O-])c(OC2CC(c3ccccc3Cl)C2)c1 ZINC001229396155 1053311842 /nfs/dbraw/zinc/31/18/42/1053311842.db2.gz QMMGUMSPPXYOIH-UHFFFAOYSA-N -1 1 319.744 4.279 20 5 DIBDMM CCOc1ccc([C@H](C)Oc2cc([N+](=O)[O-])c(C)cc2[O-])cc1 ZINC001229750631 1053396978 /nfs/dbraw/zinc/39/69/78/1053396978.db2.gz PEMSCFKDNMCHBQ-LBPRGKRZSA-N -1 1 317.341 4.148 20 5 DIBDMM Cc1cc([O-])c(O[C@H](C)c2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC001229754039 1053399057 /nfs/dbraw/zinc/39/90/57/1053399057.db2.gz KNQDRIKFOKFFSW-SNVBAGLBSA-N -1 1 307.733 4.402 20 5 DIBDMM C[C@H](Oc1nc2cc([N+](=O)[O-])c(Cl)cc2[n-]1)c1cccs1 ZINC001233500726 1054283025 /nfs/dbraw/zinc/28/30/25/1054283025.db2.gz UIGSMJFVCHBCSE-ZETCQYMHSA-N -1 1 323.761 4.326 20 5 DIBDMM Cc1ncc([N+](=O)[O-])cc1Nc1cc(Cl)c(Cl)cc1[O-] ZINC001249546034 1060282093 /nfs/dbraw/zinc/28/20/93/1060282093.db2.gz UXUSBGWALJOZEX-UHFFFAOYSA-N -1 1 314.128 4.054 20 5 DIBDMM O=[N+]([O-])c1cccc(-c2nc3cc(Cl)cc(Cl)c3[nH]2)c1[O-] ZINC001251271342 1061299945 /nfs/dbraw/zinc/29/99/45/1061299945.db2.gz BEWCKLKPEQNBLJ-UHFFFAOYSA-N -1 1 324.123 4.151 20 5 DIBDMM Cc1ccc2c(c1)nc(-c1cc([O-])cc([N+](=O)[O-])c1)n2CC1CC1 ZINC001251389202 1061340589 /nfs/dbraw/zinc/34/05/89/1061340589.db2.gz BYIKNRXEPUHSTN-UHFFFAOYSA-N -1 1 323.352 4.036 20 5 DIBDMM Cc1ccc2nc(-c3cc([O-])cc([N+](=O)[O-])c3)n(C(C)C)c2c1 ZINC001251389178 1061341285 /nfs/dbraw/zinc/34/12/85/1061341285.db2.gz BHEXLNWPIFDXTQ-UHFFFAOYSA-N -1 1 311.341 4.206 20 5 DIBDMM CC(C)c1c([N-]c2ncccc2[N+](=O)[O-])cnn1-c1ccccc1 ZINC001307112833 1065268510 /nfs/dbraw/zinc/26/85/10/1065268510.db2.gz UOLVYCOVFBURBE-UHFFFAOYSA-N -1 1 323.356 4.043 20 5 DIBDMM Cc1c(NC(=O)c2cc([O-])c3ccccc3c2)cccc1[N+](=O)[O-] ZINC000471580416 339348056 /nfs/dbraw/zinc/34/80/56/339348056.db2.gz HSLRPCLZNZNUKQ-UHFFFAOYSA-N -1 1 322.320 4.014 20 5 DIBDMM C[C@@H](NCc1cc([O-])ccc1[N+](=O)[O-])c1cccc2ccccc21 ZINC000555420643 1048343958 /nfs/dbraw/zinc/34/39/58/1048343958.db2.gz NSJWNJNHINNQBN-CYBMUJFWSA-N -1 1 322.364 4.304 20 5 DIBDMM O=[N+]([O-])c1ccc(F)c(Nc2cccc(C(F)(F)F)c2[O-])c1 ZINC001175737559 1048430082 /nfs/dbraw/zinc/43/00/82/1048430082.db2.gz YVVWYUHUCLPWRE-UHFFFAOYSA-N -1 1 316.210 4.202 20 5 DIBDMM O=[N+]([O-])c1cc(Nc2cnc3cc(Cl)ccc3c2)ccc1[O-] ZINC001210394164 1050231096 /nfs/dbraw/zinc/23/10/96/1050231096.db2.gz PUQXWGHWFPLSNQ-UHFFFAOYSA-N -1 1 315.716 4.246 20 5 DIBDMM Cc1nc(Nc2ccc([O-])c([N+](=O)[O-])c2)c(Cl)cc1Cl ZINC001210393751 1050231341 /nfs/dbraw/zinc/23/13/41/1050231341.db2.gz YSALJFAXTJKFRO-UHFFFAOYSA-N -1 1 314.128 4.054 20 5 DIBDMM Cc1ccc([N-]c2nc(C(F)(F)F)cs2)c([N+](=O)[O-])c1 ZINC001214165392 1050837060 /nfs/dbraw/zinc/83/70/60/1050837060.db2.gz SVXPWUGJHUBMBV-UHFFFAOYSA-N -1 1 303.265 4.122 20 5 DIBDMM C[C@H](Oc1[n-]ccc(=O)c1[N+](=O)[O-])c1cc2ccccc2s1 ZINC001225663063 1052813987 /nfs/dbraw/zinc/81/39/87/1052813987.db2.gz YSSMYSBLMYPRCC-VIFPVBQESA-N -1 1 316.338 4.050 20 5 DIBDMM O=c1c2ccc([O-])cc2oc2cc(OC3CCCCC3)ccc21 ZINC001229518670 1053342103 /nfs/dbraw/zinc/34/21/03/1053342103.db2.gz UVWXPCLBRQDSQU-UHFFFAOYSA-N -1 1 310.349 4.363 20 5 DIBDMM CC[C@H](NCc1cc([O-])ccc1[N+](=O)[O-])c1cc(C)ccc1C ZINC001560070219 1059883768 /nfs/dbraw/zinc/88/37/68/1059883768.db2.gz RGQDVWAIRGFHCT-KRWDZBQOSA-N -1 1 314.385 4.158 20 5 DIBDMM CC(C)n1c2cc(F)ccc2nc1-c1cc([O-])cc([N+](=O)[O-])c1 ZINC001251389227 1061341811 /nfs/dbraw/zinc/34/18/11/1061341811.db2.gz CTAHPBHIRWNNNF-UHFFFAOYSA-N -1 1 315.304 4.037 20 5 DIBDMM Cc1cc(NC(=O)c2cc3ccccc3cc2[O-])cc([N+](=O)[O-])c1 ZINC001305602082 1065162859 /nfs/dbraw/zinc/16/28/59/1065162859.db2.gz WGPRGCGNVJYSPW-UHFFFAOYSA-N -1 1 322.320 4.014 20 5 DIBDMM COc1cc(-c2nc3cc4ccccc4cc3c(=O)[n-]2)ccc1C ZINC000533635977 331638563 /nfs/dbraw/zinc/63/85/63/331638563.db2.gz TWTYSYWUIBGJBG-UHFFFAOYSA-N -1 1 316.360 4.473 20 5 DIBDMM C[C@@H](NCc1cc([O-])ccc1[N+](=O)[O-])c1cccc(C2CC2)c1 ZINC000449352593 338616788 /nfs/dbraw/zinc/61/67/88/338616788.db2.gz VSILHKMZMLTVTN-GFCCVEGCSA-N -1 1 312.369 4.029 20 5 DIBDMM Cc1ccc(-c2nc3ccc(C(C)C)cc3c(=O)[n-]2)cc1[N+](=O)[O-] ZINC000486440451 339727228 /nfs/dbraw/zinc/72/72/28/339727228.db2.gz BCPPBDJKGPECJY-UHFFFAOYSA-N -1 1 323.352 4.342 20 5 DIBDMM CC[C@H](NCc1cc([O-])ccc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000339065748 1049641298 /nfs/dbraw/zinc/64/12/98/1049641298.db2.gz OYJCHTVBDFIGRF-HNNXBMFYSA-N -1 1 320.776 4.195 20 5 DIBDMM O=[N+]([O-])c1cc(Nc2cnccc2-c2ccccc2)ccc1[O-] ZINC001210393435 1050231069 /nfs/dbraw/zinc/23/10/69/1050231069.db2.gz UQMSSTYKACGUIJ-UHFFFAOYSA-N -1 1 307.309 4.106 20 5 DIBDMM O=[N+]([O-])c1cc(Nc2cnc3ccc(Cl)cc3c2)ccc1[O-] ZINC001210395857 1050231533 /nfs/dbraw/zinc/23/15/33/1050231533.db2.gz FYZDQFSATVNOMN-UHFFFAOYSA-N -1 1 315.716 4.246 20 5 DIBDMM O=[N+]([O-])c1cc(Nc2cncc(-c3ccccc3)c2)ccc1[O-] ZINC001210393984 1050231617 /nfs/dbraw/zinc/23/16/17/1050231617.db2.gz LCKMFUSEKCEMJE-UHFFFAOYSA-N -1 1 307.309 4.106 20 5 DIBDMM O=[N+]([O-])c1cc(Nc2ncccc2-c2ccccc2)ccc1[O-] ZINC001210393161 1050232225 /nfs/dbraw/zinc/23/22/25/1050232225.db2.gz PUTZODMQTDPLOI-UHFFFAOYSA-N -1 1 307.309 4.106 20 5 DIBDMM O=[N+]([O-])c1cc(Nc2ccc(-c3ccccc3)cn2)ccc1[O-] ZINC001210392994 1050232297 /nfs/dbraw/zinc/23/22/97/1050232297.db2.gz SBWPIYLXZSUSGR-UHFFFAOYSA-N -1 1 307.309 4.106 20 5 DIBDMM O=[N+]([O-])c1ccc(F)c([N-]c2cc(C3CCCC3)no2)c1F ZINC001215285594 1051150161 /nfs/dbraw/zinc/15/01/61/1051150161.db2.gz PMFYLEKHEFBJEL-UHFFFAOYSA-N -1 1 309.272 4.262 20 5 DIBDMM O=[N+]([O-])c1ccc(F)c(Nc2cc([O-])c(Cl)cc2F)c1F ZINC001215294818 1051156671 /nfs/dbraw/zinc/15/66/71/1051156671.db2.gz LGXWODCFUWHYAJ-UHFFFAOYSA-N -1 1 318.638 4.115 20 5 DIBDMM CC[C@@H](Oc1cc([N+](=O)[O-])ccc1[O-])c1cccc(F)c1C ZINC001229395706 1053311577 /nfs/dbraw/zinc/31/15/77/1053311577.db2.gz JUUFGOWJYXJGIM-OAHLLOKOSA-N -1 1 305.305 4.278 20 5 DIBDMM O=[N+]([O-])c1ccc([O-])c(OC2c3ccccc3-c3ccccc32)c1 ZINC001229396011 1053312069 /nfs/dbraw/zinc/31/20/69/1053312069.db2.gz OXPAWNVRUNYCJP-UHFFFAOYSA-N -1 1 319.316 4.449 20 5 DIBDMM CCC[C@H](Oc1cc([N+](=O)[O-])ccc1[O-])c1ccc(OC)cc1 ZINC001229395961 1053312480 /nfs/dbraw/zinc/31/24/80/1053312480.db2.gz NXENOGOJHWBOKS-INIZCTEOSA-N -1 1 317.341 4.229 20 5 DIBDMM O=[N+]([O-])c1ccc([O-])c(O[C@H]2CCc3ccc(Cl)cc32)c1 ZINC001229396839 1053314088 /nfs/dbraw/zinc/31/40/88/1053314088.db2.gz ZNWMWWQRFZRZCO-AWEZNQCLSA-N -1 1 305.717 4.020 20 5 DIBDMM CC[C@H](C)[C@H](C)Oc1ccc2c(c1)oc1cc([O-])ccc1c2=O ZINC001229518197 1053342280 /nfs/dbraw/zinc/34/22/80/1053342280.db2.gz RQPBYHHBUBLUDZ-RYUDHWBXSA-N -1 1 312.365 4.465 20 5 DIBDMM CC(C)C[C@H](C)Oc1ccc2c(c1)oc1cc([O-])ccc1c2=O ZINC001229516207 1053342541 /nfs/dbraw/zinc/34/25/41/1053342541.db2.gz IRJYJJUEZWGNFR-LBPRGKRZSA-N -1 1 312.365 4.465 20 5 DIBDMM C[C@H]1CC[C@@H](Oc2ccc3c(c2)oc2cc([O-])ccc2c3=O)C1 ZINC001229517738 1053342881 /nfs/dbraw/zinc/34/28/81/1053342881.db2.gz PQASFHUUBHXMHM-WCQYABFASA-N -1 1 310.349 4.219 20 5 DIBDMM Cc1cc([O-])c(O[C@@H]2CCc3cc(Cl)ccc32)cc1[N+](=O)[O-] ZINC001229749427 1053396897 /nfs/dbraw/zinc/39/68/97/1053396897.db2.gz AHIJZENZQKBVIX-OAHLLOKOSA-N -1 1 319.744 4.329 20 5 DIBDMM [O-]c1ccc(-c2ccc3ccc4cccnc4c3n2)c(F)c1F ZINC001243337720 1057651221 /nfs/dbraw/zinc/65/12/21/1057651221.db2.gz BLQQLKWITBHECL-UHFFFAOYSA-N -1 1 308.287 4.434 20 5 DIBDMM [O-]c1c(F)cc(F)cc1-c1ccnc2c1ccc1cccnc12 ZINC001243507460 1057698370 /nfs/dbraw/zinc/69/83/70/1057698370.db2.gz YCZGINKZORQPFR-UHFFFAOYSA-N -1 1 308.287 4.434 20 5 DIBDMM [O-]c1c(F)cc(-c2ccnc3c2ccc2cccnc23)cc1F ZINC001244096439 1057867376 /nfs/dbraw/zinc/86/73/76/1057867376.db2.gz LSWASSQBTHXBNG-UHFFFAOYSA-N -1 1 308.287 4.434 20 5 DIBDMM O=[N+]([O-])c1cc([O-])cc(-c2nc3cc(Cl)c(Cl)cc3[nH]2)c1 ZINC001251385538 1061336773 /nfs/dbraw/zinc/33/67/73/1061336773.db2.gz FMLXIPDLOWYHIR-UHFFFAOYSA-N -1 1 324.123 4.151 20 5 DIBDMM Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cc([O-])c2ccccc2c1 ZINC000471549903 339347330 /nfs/dbraw/zinc/34/73/30/339347330.db2.gz GMSCPYZGMFSAMX-UHFFFAOYSA-N -1 1 322.320 4.014 20 5 DIBDMM C[C@H](NCc1cc([O-])ccc1[N+](=O)[O-])c1cccc(C2CC2)c1 ZINC000449352594 1045381336 /nfs/dbraw/zinc/38/13/36/1045381336.db2.gz VSILHKMZMLTVTN-LBPRGKRZSA-N -1 1 312.369 4.029 20 5 DIBDMM CC(=O)c1cc(Cl)c(F)cc1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001201229331 1048222493 /nfs/dbraw/zinc/22/24/93/1048222493.db2.gz LWFZGKJUXRIBGM-UHFFFAOYSA-N -1 1 324.695 4.039 20 5 DIBDMM CC[C@@H](NCc1cc([O-])ccc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000339066406 1049645995 /nfs/dbraw/zinc/64/59/95/1049645995.db2.gz OYJCHTVBDFIGRF-OAHLLOKOSA-N -1 1 320.776 4.195 20 5 DIBDMM Cc1nc(C(F)(F)F)c([N-]c2ccccc2[N+](=O)[O-])s1 ZINC001206145105 1049668685 /nfs/dbraw/zinc/66/86/85/1049668685.db2.gz XBMFDIVQJWVGKD-UHFFFAOYSA-N -1 1 303.265 4.122 20 5 DIBDMM O=[N+]([O-])c1cc(Nc2cnc3c(Cl)cccc3c2)ccc1[O-] ZINC001210396737 1050230965 /nfs/dbraw/zinc/23/09/65/1050230965.db2.gz YDEWAVUCXLAIPK-UHFFFAOYSA-N -1 1 315.716 4.246 20 5 DIBDMM Cc1ccc([N+](=O)[O-])cc1Nc1cccc(C(F)(F)F)c1[O-] ZINC001211290825 1050538417 /nfs/dbraw/zinc/53/84/17/1050538417.db2.gz MXFGJTKXPPKLFQ-UHFFFAOYSA-N -1 1 312.247 4.371 20 5 DIBDMM [O-]c1cc(F)c(-c2cnc3c(ccc4cccnc43)c2)cc1F ZINC001211359120 1050554436 /nfs/dbraw/zinc/55/44/36/1050554436.db2.gz BJVJICJATAJWMY-UHFFFAOYSA-N -1 1 308.287 4.434 20 5 DIBDMM Cc1nc(C(F)(F)F)c([N-]c2ccc(C)cc2[N+](=O)[O-])s1 ZINC001214167392 1050836292 /nfs/dbraw/zinc/83/62/92/1050836292.db2.gz JNSPHIAGSKGRJE-UHFFFAOYSA-N -1 1 317.292 4.431 20 5 DIBDMM [O-]c1cc(F)c(-c2ccc3ccc4cccnc4c3n2)c(F)c1 ZINC001241116632 1056903341 /nfs/dbraw/zinc/90/33/41/1056903341.db2.gz CXTASOVJARKARO-UHFFFAOYSA-N -1 1 308.287 4.434 20 5 DIBDMM COc1ccc(Nc2ccc(C)c([O-])c2Cl)c([N+](=O)[O-])c1 ZINC001248478050 1059851967 /nfs/dbraw/zinc/85/19/67/1059851967.db2.gz IHRLJODIYHYPJG-UHFFFAOYSA-N -1 1 308.721 4.014 20 5 DIBDMM Cc1cc(NC(=O)c2ccc3ccccc3c2[O-])cc([N+](=O)[O-])c1 ZINC001457200864 1061419580 /nfs/dbraw/zinc/41/95/80/1061419580.db2.gz QYQTXOCXOBWONQ-UHFFFAOYSA-N -1 1 322.320 4.014 20 5 DIBDMM O=[N+]([O-])c1ccc([O-])cc1CN1CCC(C2CCCCC2)CC1 ZINC001307903750 1065675299 /nfs/dbraw/zinc/67/52/99/1065675299.db2.gz FJBINRNWZJMIDU-UHFFFAOYSA-N -1 1 318.417 4.093 20 5 DIBDMM CCc1ccc(-c2nc3cc4ccccc4cc3c(=O)[n-]2)cc1 ZINC000510237398 340293795 /nfs/dbraw/zinc/29/37/95/340293795.db2.gz NBIBMBJDZYKNQZ-UHFFFAOYSA-N -1 1 300.361 4.306 20 5 DIBDMM CC(C)C[C@@H](NCc1cc([O-])ccc1[N+](=O)[O-])c1cccs1 ZINC000549545606 341297098 /nfs/dbraw/zinc/29/70/98/341297098.db2.gz ZMZVDTQDDDWHHA-CQSZACIVSA-N -1 1 320.414 4.239 20 5 DIBDMM CC(C)Sc1ccccc1[N-]C(=O)c1ccc([N+](=O)[O-])s1 ZINC000122439233 1039688857 /nfs/dbraw/zinc/68/88/57/1039688857.db2.gz CEUQYDWZFURRDI-UHFFFAOYSA-N -1 1 322.411 4.409 20 5 DIBDMM CCSc1cccc(F)c1[N-]C(=O)c1cccc([N+](=O)[O-])c1 ZINC000484927063 1043179766 /nfs/dbraw/zinc/17/97/66/1043179766.db2.gz PXXLBWUIGQKSFM-UHFFFAOYSA-N -1 1 320.345 4.098 20 5 DIBDMM CCOC(=O)NC(=S)[N-]c1cccc2cc3ccccc3cc21 ZINC001195491160 1049537496 /nfs/dbraw/zinc/53/74/96/1049537496.db2.gz TYHSKJXARABXFN-UHFFFAOYSA-N -1 1 324.405 4.436 20 5 DIBDMM CCOC(=O)NC(=S)[N-]c1c2ccccc2cc2ccccc21 ZINC001195494598 1049537914 /nfs/dbraw/zinc/53/79/14/1049537914.db2.gz MOHWTUCJLRWSJD-UHFFFAOYSA-N -1 1 324.405 4.436 20 5 DIBDMM O=[N+]([O-])c1cc(Nc2cnc3ccccc3c2Cl)ccc1[O-] ZINC001210395950 1050231728 /nfs/dbraw/zinc/23/17/28/1050231728.db2.gz LAVPIRNLCPDUNA-UHFFFAOYSA-N -1 1 315.716 4.246 20 5 DIBDMM O=[N+]([O-])c1cc(F)cc(Nc2cccc(C(F)(F)F)c2[O-])c1 ZINC001216484823 1051786633 /nfs/dbraw/zinc/78/66/33/1051786633.db2.gz QELUCZCLRLNDLY-UHFFFAOYSA-N -1 1 316.210 4.202 20 5 DIBDMM O=C(Nc1ccc2c(c1)oc1ccccc12)c1ccc([N+](=O)[O-])[n-]1 ZINC000918570136 1052811558 /nfs/dbraw/zinc/81/15/58/1052811558.db2.gz QJGCLCLOWAQKBE-UHFFFAOYSA-N -1 1 321.292 4.075 20 5 DIBDMM O=c1c2ccc([O-])cc2oc2cc(OC(C3CC3)C3CC3)ccc21 ZINC001229516922 1053342007 /nfs/dbraw/zinc/34/20/07/1053342007.db2.gz KRSHCRDXFOWBTG-UHFFFAOYSA-N -1 1 322.360 4.219 20 5 DIBDMM Cc1cc([O-])c(O[C@H]2CC[C@H](C(F)(F)F)CC2)cc1[N+](=O)[O-] ZINC001229749628 1053398103 /nfs/dbraw/zinc/39/81/03/1053398103.db2.gz GCJQOFQSHKWJFJ-MGCOHNPYSA-N -1 1 319.279 4.109 20 5 DIBDMM Cc1cc([O-])c(O[C@H](C)c2c(F)cccc2F)cc1[N+](=O)[O-] ZINC001229751235 1053399650 /nfs/dbraw/zinc/39/96/50/1053399650.db2.gz TXYSZEPGWLZLJE-SECBINFHSA-N -1 1 309.268 4.027 20 5 DIBDMM CCC[C@@H](CC)Oc1c([O-])cc(Br)cc1[N+](=O)[O-] ZINC001234877556 1054611579 /nfs/dbraw/zinc/61/15/79/1054611579.db2.gz OIRHEHGBGULOEI-SECBINFHSA-N -1 1 318.167 4.020 20 5 DIBDMM c1ccc2c(c1)cc(-c1ccc(-c3nnn[n-]3)nc1)c1ccccc21 ZINC001241133066 1056914352 /nfs/dbraw/zinc/91/43/52/1056914352.db2.gz UHVHRLBWCDYEDM-UHFFFAOYSA-N -1 1 323.359 4.235 20 5 DIBDMM c1ccc2c(c1)cc(-c1ccc(-c3nn[n-]n3)nc1)c1ccccc21 ZINC001241133066 1056914359 /nfs/dbraw/zinc/91/43/59/1056914359.db2.gz UHVHRLBWCDYEDM-UHFFFAOYSA-N -1 1 323.359 4.235 20 5 DIBDMM O=[N+]([O-])c1ccc([N-]c2nc(C(F)(F)F)cs2)c(Cl)c1 ZINC001248594596 1059907541 /nfs/dbraw/zinc/90/75/41/1059907541.db2.gz LFVNITQRBGMPCK-UHFFFAOYSA-N -1 1 323.683 4.467 20 5 DIBDMM CC(C)(C)N(Cc1ccccc1)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC001459747477 1062358717 /nfs/dbraw/zinc/35/87/17/1062358717.db2.gz NQKZPRLLNRSPFZ-UHFFFAOYSA-N -1 1 314.385 4.101 20 5 DIBDMM Cc1ccc(-c2nc3cc4ccccc4cc3c(=O)[n-]2)cc1O ZINC000468872167 339273259 /nfs/dbraw/zinc/27/32/59/339273259.db2.gz HIHNYICEPSGLJK-UHFFFAOYSA-N -1 1 302.333 4.170 20 5 DIBDMM O=[N+]([O-])c1ccc2nc(/C=C/c3cc([O-])cc(F)c3)ccc2c1 ZINC000471476095 339345699 /nfs/dbraw/zinc/34/56/99/339345699.db2.gz MVDWPMSGUKQDAN-HNQUOIGGSA-N -1 1 310.284 4.158 20 5 DIBDMM Cc1ccc(NC(=O)c2cc([O-])c3ccccc3c2)cc1[N+](=O)[O-] ZINC000471583084 339348154 /nfs/dbraw/zinc/34/81/54/339348154.db2.gz UGWFUYFHCTWGOP-UHFFFAOYSA-N -1 1 322.320 4.014 20 5 DIBDMM COc1ccc(-c2nc3cc4ccccc4cc3c(=O)[n-]2)cc1C ZINC000524374807 340653402 /nfs/dbraw/zinc/65/34/02/340653402.db2.gz PHZLDLOTIURERV-UHFFFAOYSA-N -1 1 316.360 4.060 20 5 DIBDMM Cc1c(NC(=O)c2cc3ccccc3cc2[O-])cccc1[N+](=O)[O-] ZINC001135483612 1042036740 /nfs/dbraw/zinc/03/67/40/1042036740.db2.gz FIOVSJQBJFGGDS-UHFFFAOYSA-N -1 1 322.320 4.014 20 5 DIBDMM O=[N+]([O-])c1cc(Nc2cncc3cc(Cl)ccc32)ccc1[O-] ZINC001210395708 1050230199 /nfs/dbraw/zinc/23/01/99/1050230199.db2.gz CLUFOEHYGDOACS-UHFFFAOYSA-N -1 1 315.716 4.246 20 5 DIBDMM O=[N+]([O-])c1cc(Nc2ccc(Oc3ccccc3)nc2)ccc1[O-] ZINC001210393467 1050232053 /nfs/dbraw/zinc/23/20/53/1050232053.db2.gz VMGAOJFKYNYGDZ-UHFFFAOYSA-N -1 1 323.308 4.231 20 5 DIBDMM O=[N+]([O-])c1cc(Nc2cc(Cl)cc(Cl)c2[O-])ccc1O ZINC001210401737 1050232864 /nfs/dbraw/zinc/23/28/64/1050232864.db2.gz YOAZESQADUGFMT-UHFFFAOYSA-N -1 1 315.112 4.056 20 5 DIBDMM O=[N+]([O-])c1cc(Nc2cc(Cl)cc(Cl)c2O)ccc1[O-] ZINC001210401737 1050232871 /nfs/dbraw/zinc/23/28/71/1050232871.db2.gz YOAZESQADUGFMT-UHFFFAOYSA-N -1 1 315.112 4.056 20 5 DIBDMM O=[N+]([O-])c1cc(Nc2ccc(Cl)c(Cl)c2[O-])ccc1O ZINC001210397812 1050233510 /nfs/dbraw/zinc/23/35/10/1050233510.db2.gz IWOUWZUPSFJVMN-UHFFFAOYSA-N -1 1 315.112 4.056 20 5 DIBDMM Cc1cc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)ccc1-c1ccccc1 ZINC000792825559 1051215713 /nfs/dbraw/zinc/21/57/13/1051215713.db2.gz MVBVDSJJEDUISB-UHFFFAOYSA-N -1 1 321.336 4.151 20 5 DIBDMM O=[N+]([O-])c1ccc([O-])c(O[C@H]2CCc3cc(Cl)ccc32)c1 ZINC001229396135 1053311751 /nfs/dbraw/zinc/31/17/51/1053311751.db2.gz QIOVFLKCVATEJW-AWEZNQCLSA-N -1 1 305.717 4.020 20 5 DIBDMM Cc1ccc(Cl)cc1[C@H](C)Oc1cc([N+](=O)[O-])ccc1[O-] ZINC001229396228 1053312649 /nfs/dbraw/zinc/31/26/49/1053312649.db2.gz RLXHRIQJZNDBAP-JTQLQIEISA-N -1 1 307.733 4.402 20 5 DIBDMM O=[N+]([O-])c1ccc([O-])c(O[C@@H]2CCc3ccc(Cl)cc32)c1 ZINC001229396841 1053314727 /nfs/dbraw/zinc/31/47/27/1053314727.db2.gz ZNWMWWQRFZRZCO-CQSZACIVSA-N -1 1 305.717 4.020 20 5 DIBDMM C[C@@H]1CC[C@H](Oc2ccc3c(c2)oc2cc([O-])ccc2c3=O)C1 ZINC001229517743 1053342211 /nfs/dbraw/zinc/34/22/11/1053342211.db2.gz PQASFHUUBHXMHM-YPMHNXCESA-N -1 1 310.349 4.219 20 5 DIBDMM Cc1cc([O-])c(OC2CCC(C(F)(F)F)CC2)cc1[N+](=O)[O-] ZINC001229749630 1053397032 /nfs/dbraw/zinc/39/70/32/1053397032.db2.gz GCJQOFQSHKWJFJ-UHFFFAOYSA-N -1 1 319.279 4.109 20 5 DIBDMM Cc1cc([O-])c(O[C@H](C)c2cccc(F)c2F)cc1[N+](=O)[O-] ZINC001229754419 1053398793 /nfs/dbraw/zinc/39/87/93/1053398793.db2.gz OWXYHIDJZBOOLM-SECBINFHSA-N -1 1 309.268 4.027 20 5 DIBDMM CCCC[C@H](C)Oc1c([O-])cc(Br)cc1[N+](=O)[O-] ZINC001234875196 1054611855 /nfs/dbraw/zinc/61/18/55/1054611855.db2.gz DOJVBMGYIDDQBM-QMMMGPOBSA-N -1 1 318.167 4.020 20 5 DIBDMM CC(C)(C)c1ccc2nc(-c3cccc([N+](=O)[O-])c3[O-])[nH]c2c1 ZINC001251272554 1061300397 /nfs/dbraw/zinc/30/03/97/1061300397.db2.gz YLUOOHKKFUUFNR-UHFFFAOYSA-N -1 1 311.341 4.141 20 5 DIBDMM Cc1ccc2nc(-c3cc(Cl)cc([N+](=O)[O-])c3[O-])[nH]c2c1C ZINC001251550821 1061401356 /nfs/dbraw/zinc/40/13/56/1061401356.db2.gz BJRURUQELTYOKA-UHFFFAOYSA-N -1 1 317.732 4.114 20 5 DIBDMM CCSc1cccc(F)c1[N-]C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000484928179 339695887 /nfs/dbraw/zinc/69/58/87/339695887.db2.gz QDNOVWMDFQDQLK-UHFFFAOYSA-N -1 1 320.345 4.098 20 5 DIBDMM CC(C)C[C@H](NCc1cc([O-])ccc1[N+](=O)[O-])c1cccs1 ZINC000549545605 341297154 /nfs/dbraw/zinc/29/71/54/341297154.db2.gz ZMZVDTQDDDWHHA-AWEZNQCLSA-N -1 1 320.414 4.239 20 5 DIBDMM CCCc1nc(-c2nc3cc4ccccc4cc3c(=O)[n-]2)co1 ZINC000577299174 341903270 /nfs/dbraw/zinc/90/32/70/341903270.db2.gz KYRICETYWHDEOK-UHFFFAOYSA-N -1 1 305.337 4.096 20 5 DIBDMM CC(C)c1cccc(C(C)C)c1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000299485928 535375220 /nfs/dbraw/zinc/37/52/20/535375220.db2.gz BGCORTVDXCUMMZ-UHFFFAOYSA-N -1 1 315.373 4.422 20 5 DIBDMM O=[N+]([O-])c1ccc(F)c(Nc2cc(Cl)c(Cl)cc2[O-])c1 ZINC001175738649 1048429415 /nfs/dbraw/zinc/42/94/15/1048429415.db2.gz OXUYMOPSOFMQEG-UHFFFAOYSA-N -1 1 317.103 4.490 20 5 DIBDMM O=[N+]([O-])c1cccc(Nc2cccc(C(F)(F)F)c2[O-])c1F ZINC001210386420 1050227096 /nfs/dbraw/zinc/22/70/96/1050227096.db2.gz QKQPJIMFBYGXKH-UHFFFAOYSA-N -1 1 316.210 4.202 20 5 DIBDMM Cc1cc(Cl)nc(Cl)c1Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC001210393188 1050230932 /nfs/dbraw/zinc/23/09/32/1050230932.db2.gz QMIDTSFAPMARGA-UHFFFAOYSA-N -1 1 314.128 4.054 20 5 DIBDMM O=[N+]([O-])c1cc(Nc2c(Cl)ccc([O-])c2Cl)ccc1F ZINC001211193489 1050511478 /nfs/dbraw/zinc/51/14/78/1050511478.db2.gz YPOHMYSKIBDKSY-UHFFFAOYSA-N -1 1 317.103 4.490 20 5 DIBDMM [O-]c1cc(F)c(-c2ccnc3c2ccc2cccnc23)cc1F ZINC001222083036 1052439815 /nfs/dbraw/zinc/43/98/15/1052439815.db2.gz JWWIMSIZDLZKAT-UHFFFAOYSA-N -1 1 308.287 4.434 20 5 DIBDMM Cc1cc(-c2ccccc2)ccc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000918077033 1052778007 /nfs/dbraw/zinc/77/80/07/1052778007.db2.gz QDMJSKOZHSCAHF-UHFFFAOYSA-N -1 1 321.336 4.151 20 5 DIBDMM CCC(=O)c1ccc([O-])cc1O[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC001229475624 1053331710 /nfs/dbraw/zinc/33/17/10/1053331710.db2.gz BRPFQDYMFIQWCU-LLVKDONJSA-N -1 1 315.325 4.033 20 5 DIBDMM Cc1cc([O-])c(O[C@H](C)c2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC001229752571 1053398678 /nfs/dbraw/zinc/39/86/78/1053398678.db2.gz BVJLMGTVMXCBOG-SECBINFHSA-N -1 1 309.268 4.027 20 5 DIBDMM CC[C@H](Oc1cc([N+](=O)[O-])c(C)cc1[O-])c1ccccc1F ZINC001229755583 1053401298 /nfs/dbraw/zinc/40/12/98/1053401298.db2.gz YYKUBABNGXSPIY-HNNXBMFYSA-N -1 1 305.305 4.278 20 5 DIBDMM CC(C)(C)[C@@H](NCc1cc([O-])ccc1[N+](=O)[O-])c1ccccc1 ZINC000553598530 1056207010 /nfs/dbraw/zinc/20/70/10/1056207010.db2.gz POWXYOXSNVAHAL-KRWDZBQOSA-N -1 1 314.385 4.177 20 5 DIBDMM [O-]c1cc(F)c(-c2ccnc3c2ccc2cccnc23)c(F)c1 ZINC001241125144 1056909993 /nfs/dbraw/zinc/90/99/93/1056909993.db2.gz SPYLIXKWODAWHP-UHFFFAOYSA-N -1 1 308.287 4.434 20 5 DIBDMM [O-]c1ccc(-c2cc3cccnc3c3ncccc23)c(F)c1F ZINC001243340775 1057652936 /nfs/dbraw/zinc/65/29/36/1057652936.db2.gz HSYWOUSUERWSGE-UHFFFAOYSA-N -1 1 308.287 4.434 20 5 DIBDMM CCC[C@@H](C)c1cc([N-]c2ccc(OC)cc2[N+](=O)[O-])on1 ZINC001248456953 1059844789 /nfs/dbraw/zinc/84/47/89/1059844789.db2.gz GQNMAGQMSMQSON-SNVBAGLBSA-N -1 1 305.334 4.239 20 5 DIBDMM Cc1cc2nc(-c3cc(Cl)cc([N+](=O)[O-])c3[O-])[nH]c2c(C)c1 ZINC001251550871 1061402201 /nfs/dbraw/zinc/40/22/01/1061402201.db2.gz DXRKCMLBTMWBOL-UHFFFAOYSA-N -1 1 317.732 4.114 20 5 DIBDMM O=[N+]([O-])c1ccc2sc(/C=C/c3ccc([O-])c(F)c3)nc2c1 ZINC000436529974 338275323 /nfs/dbraw/zinc/27/53/23/338275323.db2.gz BCNYVRAIQXGKGU-QHHAFSJGSA-N -1 1 316.313 4.220 20 5 DIBDMM O=[N+]([O-])c1cccc2nc(/C=C/c3cc([O-])cc(F)c3)ccc21 ZINC000471454162 339345284 /nfs/dbraw/zinc/34/52/84/339345284.db2.gz ZFYHQFVWCLPJTR-SNAWJCMRSA-N -1 1 310.284 4.158 20 5 DIBDMM O=[N+]([O-])c1ccc(F)c([N-]c2nc3cc(Cl)ccc3o2)c1 ZINC001175733993 1048428451 /nfs/dbraw/zinc/42/84/51/1048428451.db2.gz DGUHUCFKINVXAQ-UHFFFAOYSA-N -1 1 307.668 4.272 20 5 DIBDMM Cc1c(Cl)cc(Nc2ccc([N+](=O)[O-])nc2)c([O-])c1Cl ZINC001203579100 1048935128 /nfs/dbraw/zinc/93/51/28/1048935128.db2.gz DZVYOXSCNSHVEA-UHFFFAOYSA-N -1 1 314.128 4.054 20 5 DIBDMM CCOC(=O)NC(=S)[N-]c1ccc2cc3ccccc3cc2c1 ZINC001195490832 1049538447 /nfs/dbraw/zinc/53/84/47/1049538447.db2.gz NNNRFVSWKKUVNI-UHFFFAOYSA-N -1 1 324.405 4.436 20 5 DIBDMM O=[N+]([O-])c1cc(Nc2cc(Cl)nc3ccccc32)ccc1[O-] ZINC001210393877 1050231583 /nfs/dbraw/zinc/23/15/83/1050231583.db2.gz JSSFCTIEGKDXKU-UHFFFAOYSA-N -1 1 315.716 4.246 20 5 DIBDMM Cc1ccc(Nc2cccc([O-])c2Br)c([N+](=O)[O-])c1 ZINC001214175822 1050839371 /nfs/dbraw/zinc/83/93/71/1050839371.db2.gz KWLDUEVUDJJGQA-UHFFFAOYSA-N -1 1 323.146 4.115 20 5 DIBDMM O=[N+]([O-])c1cc(F)cc(Nc2c(Cl)ccc([O-])c2Cl)c1 ZINC001216484075 1051785263 /nfs/dbraw/zinc/78/52/63/1051785263.db2.gz CMNWLLKOZZVSJE-UHFFFAOYSA-N -1 1 317.103 4.490 20 5 DIBDMM O=[N+]([O-])c1cc(F)cc(Nc2cc(Cl)c(Cl)cc2[O-])c1 ZINC001216484153 1051786392 /nfs/dbraw/zinc/78/63/92/1051786392.db2.gz GXTSFNZAVJEJBA-UHFFFAOYSA-N -1 1 317.103 4.490 20 5 DIBDMM O=[N+]([O-])c1cc(Nc2ccnc3cc(Cl)ccc32)ccc1[O-] ZINC000196776646 1052414073 /nfs/dbraw/zinc/41/40/73/1052414073.db2.gz QCOPREGPVMFCAJ-UHFFFAOYSA-N -1 1 315.716 4.246 20 5 DIBDMM CCOc1ccc([C@@H](C)Oc2cc([N+](=O)[O-])c(C)cc2[O-])cc1 ZINC001229750630 1053397357 /nfs/dbraw/zinc/39/73/57/1053397357.db2.gz PEMSCFKDNMCHBQ-GFCCVEGCSA-N -1 1 317.341 4.148 20 5 DIBDMM Cc1cc([O-])c([N+](=O)[O-])c(O[C@H](C)c2cc(Cl)ccc2C)n1 ZINC001231259059 1053713318 /nfs/dbraw/zinc/71/33/18/1053713318.db2.gz DULFOZWHKISRAA-SNVBAGLBSA-N -1 1 322.748 4.106 20 5 DIBDMM [O-]c1ccc(-c2cnc3c(ccc4cccnc43)c2)c(F)c1F ZINC001243340428 1057652033 /nfs/dbraw/zinc/65/20/33/1057652033.db2.gz AIQGVBWNVNVHLT-UHFFFAOYSA-N -1 1 308.287 4.434 20 5 DIBDMM COc1ccc([N-]c2cc(-c3ccccc3)no2)c([N+](=O)[O-])c1 ZINC001248457675 1059842406 /nfs/dbraw/zinc/84/24/06/1059842406.db2.gz WAJZGHWHFOJAJY-UHFFFAOYSA-N -1 1 311.297 4.002 20 5 DIBDMM O=[N+]([O-])c1cnc([N-]c2ccn(C3CCCCC3)n2)c(Cl)c1 ZINC000302837210 336371589 /nfs/dbraw/zinc/37/15/89/336371589.db2.gz XHQQECRKXCISKU-UHFFFAOYSA-N -1 1 321.768 4.089 20 5 DIBDMM O=[N+]([O-])c1cccc2ccc(/C=C/c3cc([O-])cc(F)c3)nc21 ZINC000471448300 339345159 /nfs/dbraw/zinc/34/51/59/339345159.db2.gz CXRHMRMAYVSOEC-GQCTYLIASA-N -1 1 310.284 4.158 20 5 DIBDMM CCc1ccnc(-c2nc3cc4ccccc4cc3c(=O)[n-]2)c1 ZINC000479200468 1047844721 /nfs/dbraw/zinc/84/47/21/1047844721.db2.gz SSIDDMPIKWALNN-UHFFFAOYSA-N -1 1 301.349 4.113 20 5 DIBDMM O=[N+]([O-])c1cc(Nc2ccc(-c3ccccc3)nc2)ccc1[O-] ZINC001210393636 1050230547 /nfs/dbraw/zinc/23/05/47/1050230547.db2.gz XBFRZLGYKHYQHG-UHFFFAOYSA-N -1 1 307.309 4.106 20 5 DIBDMM Cc1nc(C(F)(F)F)c([N-]c2ccc(F)cc2[N+](=O)[O-])s1 ZINC001210951680 1050430098 /nfs/dbraw/zinc/43/00/98/1050430098.db2.gz MDXVGBXTTSYFPV-UHFFFAOYSA-N -1 1 321.255 4.261 20 5 DIBDMM O=[N+]([O-])c1cc(Nc2cc(Cl)c(Cl)cc2[O-])ccc1F ZINC001211193475 1050510424 /nfs/dbraw/zinc/51/04/24/1050510424.db2.gz YBZRUHIOTRLZRE-UHFFFAOYSA-N -1 1 317.103 4.490 20 5 DIBDMM Cc1ccc(Nc2cccc(C(F)(F)F)c2[O-])cc1[N+](=O)[O-] ZINC001213672608 1050717187 /nfs/dbraw/zinc/71/71/87/1050717187.db2.gz MEYMZJRWEJEIDH-UHFFFAOYSA-N -1 1 312.247 4.371 20 5 DIBDMM Cc1ccc([N-]c2nc(-c3ccncc3)cs2)c([N+](=O)[O-])c1 ZINC001214165045 1050836140 /nfs/dbraw/zinc/83/61/40/1050836140.db2.gz KDEDNTAFRVQACZ-UHFFFAOYSA-N -1 1 312.354 4.165 20 5 DIBDMM CSc1cc(C)ccc1[N-]C(=O)c1c(F)cccc1[N+](=O)[O-] ZINC001129953118 1051570080 /nfs/dbraw/zinc/57/00/80/1051570080.db2.gz RTSPJWSJAIIGSJ-UHFFFAOYSA-N -1 1 320.345 4.017 20 5 DIBDMM COc1ccc([C@@H](Oc2cc([N+](=O)[O-])ccc2[O-])C(C)C)cc1 ZINC001229396013 1053311689 /nfs/dbraw/zinc/31/16/89/1053311689.db2.gz PBZMPPUBVSMPFY-KRWDZBQOSA-N -1 1 317.341 4.085 20 5 DIBDMM CC[C@H](Oc1ccc2c(c1)oc1cc([O-])ccc1c2=O)C(C)C ZINC001229515517 1053341782 /nfs/dbraw/zinc/34/17/82/1053341782.db2.gz UVRDNIKAKYDXAU-INIZCTEOSA-N -1 1 312.365 4.465 20 5 DIBDMM CC[C@@H](C)[C@@H](C)Oc1ccc2c(c1)oc1cc([O-])ccc1c2=O ZINC001229518200 1053343233 /nfs/dbraw/zinc/34/32/33/1053343233.db2.gz RQPBYHHBUBLUDZ-VXGBXAGGSA-N -1 1 312.365 4.465 20 5 DIBDMM C[C@H](Oc1ccc2c(c1)oc1cc([O-])ccc1c2=O)C1CCC1 ZINC001229518655 1053343418 /nfs/dbraw/zinc/34/34/18/1053343418.db2.gz UNANLWQPQYWHHJ-NSHDSACASA-N -1 1 310.349 4.219 20 5 DIBDMM Cc1cc([O-])c(O[C@@H](C)c2csc(Cl)c2)cc1[N+](=O)[O-] ZINC001229749975 1053397672 /nfs/dbraw/zinc/39/76/72/1053397672.db2.gz IVBOOENHNBLCJP-QMMMGPOBSA-N -1 1 313.762 4.464 20 5 DIBDMM Cc1cc([O-])c(O[C@@H]2CCc3ccc(Cl)cc32)cc1[N+](=O)[O-] ZINC001229755154 1053401257 /nfs/dbraw/zinc/40/12/57/1053401257.db2.gz WSHNBAPMBTVGNS-OAHLLOKOSA-N -1 1 319.744 4.329 20 5 DIBDMM Cc1cc([O-])c([N+](=O)[O-])c(O[C@@H](C)c2cccc3ccccc32)n1 ZINC001231261042 1053713913 /nfs/dbraw/zinc/71/39/13/1053713913.db2.gz XQWUHHZIKJQQNY-LBPRGKRZSA-N -1 1 324.336 4.297 20 5 DIBDMM [O-]c1ccc(F)c(-c2ccc3ccc4cccnc4c3n2)c1F ZINC001241290789 1057000331 /nfs/dbraw/zinc/00/03/31/1057000331.db2.gz DTOBINAAFRVPQB-UHFFFAOYSA-N -1 1 308.287 4.434 20 5 DIBDMM [O-]c1ccc(-c2ccnc3c2ccc2cccnc23)c(F)c1F ZINC001243343899 1057653956 /nfs/dbraw/zinc/65/39/56/1057653956.db2.gz SOQKTMDJPVIXLD-UHFFFAOYSA-N -1 1 308.287 4.434 20 5 DIBDMM O=[N+]([O-])c1c([N-]c2cccc3ccsc32)nc2sccn21 ZINC001458281778 1061674136 /nfs/dbraw/zinc/67/41/36/1061674136.db2.gz PURCZKAZIBTPMV-UHFFFAOYSA-N -1 1 316.367 4.262 20 5 DIBDMM O=[N+]([O-])c1ccccc1[N-]c1nc(Cl)c(Cl)nc1Cl ZINC001206158288 1049670084 /nfs/dbraw/zinc/67/00/84/1049670084.db2.gz VILMYOKVIIMIPL-UHFFFAOYSA-N -1 1 319.535 4.089 20 5 DIBDMM O=c1[nH]c(-c2cc([O-])cc(F)c2)nc2cc3ccccc3cc12 ZINC000515089323 1042807573 /nfs/dbraw/zinc/80/75/73/1042807573.db2.gz DJBPYRCZHFOYJN-UHFFFAOYSA-N -1 1 306.296 4.000 20 5 DIBDMM O=[N+]([O-])c1cc(O)cc(Nc2c(Cl)ccc([O-])c2Cl)c1 ZINC001201223339 1048226642 /nfs/dbraw/zinc/22/66/42/1048226642.db2.gz XCJSQDWNEQRAOD-UHFFFAOYSA-N -1 1 315.112 4.056 20 5 DIBDMM CC(C)C[C@@H](NCc1cc([O-])ccc1[N+](=O)[O-])c1ccccc1 ZINC000339064204 1049595904 /nfs/dbraw/zinc/59/59/04/1049595904.db2.gz SVNOPURVPRGOSR-QGZVFWFLSA-N -1 1 314.385 4.177 20 5 DIBDMM O=[N+]([O-])c1cc(F)ccc1Nc1cc(Cl)cc(Cl)c1[O-] ZINC001210953742 1050431310 /nfs/dbraw/zinc/43/13/10/1050431310.db2.gz OJBPFWSIQCLYRW-UHFFFAOYSA-N -1 1 317.103 4.490 20 5 DIBDMM O=[N+]([O-])c1ccc([O-])c(O[C@@H]2CCc3cc(Cl)ccc32)c1 ZINC001229396142 1053312131 /nfs/dbraw/zinc/31/21/31/1053312131.db2.gz QIOVFLKCVATEJW-CQSZACIVSA-N -1 1 305.717 4.020 20 5 DIBDMM CC[C@H](Oc1cc([N+](=O)[O-])ccc1[O-])c1cccc(F)c1C ZINC001229395705 1053312832 /nfs/dbraw/zinc/31/28/32/1053312832.db2.gz JUUFGOWJYXJGIM-HNNXBMFYSA-N -1 1 305.305 4.278 20 5 DIBDMM COc1ccc([C@H](Oc2cc([N+](=O)[O-])ccc2[O-])C(C)C)cc1 ZINC001229396014 1053312893 /nfs/dbraw/zinc/31/28/93/1053312893.db2.gz PBZMPPUBVSMPFY-QGZVFWFLSA-N -1 1 317.341 4.085 20 5 DIBDMM C[C@@H](Oc1ccc2c(c1)oc1cc([O-])ccc1c2=O)C1CCC1 ZINC001229518654 1053342303 /nfs/dbraw/zinc/34/23/03/1053342303.db2.gz UNANLWQPQYWHHJ-LLVKDONJSA-N -1 1 310.349 4.219 20 5 DIBDMM Cc1cc([O-])c(O[C@H]2CCc3cc(Cl)ccc32)cc1[N+](=O)[O-] ZINC001229749423 1053397746 /nfs/dbraw/zinc/39/77/46/1053397746.db2.gz AHIJZENZQKBVIX-HNNXBMFYSA-N -1 1 319.744 4.329 20 5 DIBDMM [O-]c1cc(F)c(-c2cnc3c(ccc4cccnc43)c2)c(F)c1 ZINC001241123234 1056908410 /nfs/dbraw/zinc/90/84/10/1056908410.db2.gz WUXFAWODGPQWMY-UHFFFAOYSA-N -1 1 308.287 4.434 20 5 DIBDMM [O-]c1c(F)cc(F)cc1-c1cnc2c(ccc3cccnc32)c1 ZINC001243505682 1057697984 /nfs/dbraw/zinc/69/79/84/1057697984.db2.gz JLWGXRRSPWAUGA-UHFFFAOYSA-N -1 1 308.287 4.434 20 5 DIBDMM [O-]c1c(F)cc(-c2cc3cccnc3c3ncccc23)cc1F ZINC001244098314 1057869034 /nfs/dbraw/zinc/86/90/34/1057869034.db2.gz YLOCQOOVODJTON-UHFFFAOYSA-N -1 1 308.287 4.434 20 5 DIBDMM CC(C)(C)c1ccc2nc(-c3cc([N+](=O)[O-])ccc3[O-])[nH]c2c1 ZINC001251046614 1061199426 /nfs/dbraw/zinc/19/94/26/1061199426.db2.gz WKMBXWNFJIKZGW-UHFFFAOYSA-N -1 1 311.341 4.141 20 5 DIBDMM CC(C)(C)n1c2ccccc2nc1-c1cc([O-])cc([N+](=O)[O-])c1 ZINC001251390215 1061340965 /nfs/dbraw/zinc/34/09/65/1061340965.db2.gz ZPWQVOCLGPWTHG-UHFFFAOYSA-N -1 1 311.341 4.072 20 5 DIBDMM Cc1cc(NCc2ccc([O-])c(Cl)c2)c(F)cc1[N+](=O)[O-] ZINC001307201177 1065299920 /nfs/dbraw/zinc/29/99/20/1065299920.db2.gz NVBNMCADJUFQMA-UHFFFAOYSA-N -1 1 310.712 4.013 20 5 DIBDMM CC(C)(C)[C@H](NCc1cc([O-])ccc1[N+](=O)[O-])c1ccccc1 ZINC000553598533 341432273 /nfs/dbraw/zinc/43/22/73/341432273.db2.gz POWXYOXSNVAHAL-QGZVFWFLSA-N -1 1 314.385 4.177 20 5 DIBDMM C[C@H](NCc1cc([O-])ccc1[N+](=O)[O-])c1cccc2ccccc21 ZINC000555420647 1048343786 /nfs/dbraw/zinc/34/37/86/1048343786.db2.gz NSJWNJNHINNQBN-ZDUSSCGKSA-N -1 1 322.364 4.304 20 5 DIBDMM O=[N+]([O-])c1ccc(F)c(Nc2c(Cl)ccc([O-])c2Cl)c1 ZINC001175738351 1048430059 /nfs/dbraw/zinc/43/00/59/1048430059.db2.gz KEXNSQIHIHCOCT-UHFFFAOYSA-N -1 1 317.103 4.490 20 5 DIBDMM O=[N+]([O-])/C=C/c1ccc(Nc2cc([O-])c(Cl)cc2F)cc1 ZINC001175902978 1048495552 /nfs/dbraw/zinc/49/55/52/1048495552.db2.gz ZNWGCCXDONGPNZ-AATRIKPKSA-N -1 1 308.696 4.176 20 5 DIBDMM Cc1nc2c(F)cccc2cc1Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC001210395686 1050230675 /nfs/dbraw/zinc/23/06/75/1050230675.db2.gz BALPSMYGONTVBT-UHFFFAOYSA-N -1 1 313.288 4.040 20 5 DIBDMM O=[N+]([O-])c1cc(Nc2ccnc3c(Cl)cccc23)ccc1[O-] ZINC001210394622 1050232078 /nfs/dbraw/zinc/23/20/78/1050232078.db2.gz ZZZAVIFWIJDZDM-UHFFFAOYSA-N -1 1 315.716 4.246 20 5 DIBDMM O=[N+]([O-])c1cc(Nc2cccc(C(F)(F)F)c2[O-])ccc1F ZINC001211196986 1050512638 /nfs/dbraw/zinc/51/26/38/1050512638.db2.gz KAWKYUVSBHJGTG-UHFFFAOYSA-N -1 1 316.210 4.202 20 5 DIBDMM O=[N+]([O-])c1ccc(F)c([N-]c2cc(-c3ccccc3)no2)c1F ZINC001215285703 1051149686 /nfs/dbraw/zinc/14/96/86/1051149686.db2.gz VEGRNDAHVXNHAZ-UHFFFAOYSA-N -1 1 317.251 4.272 20 5 DIBDMM C[C@@H](Oc1[n-]ccc(=O)c1[N+](=O)[O-])c1cc2ccccc2s1 ZINC001225663062 1052813901 /nfs/dbraw/zinc/81/39/01/1052813901.db2.gz YSSMYSBLMYPRCC-SECBINFHSA-N -1 1 316.338 4.050 20 5 DIBDMM CCCC[C@H](Oc1[n-]ccc(=O)c1[N+](=O)[O-])c1ccccc1 ZINC001225666660 1052814080 /nfs/dbraw/zinc/81/40/80/1052814080.db2.gz KJYCBGKPYUPDJQ-AWEZNQCLSA-N -1 1 302.330 4.006 20 5 DIBDMM CCC(=O)c1ccc([O-])cc1O[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC001229478436 1053333357 /nfs/dbraw/zinc/33/33/57/1053333357.db2.gz WIUHULVEHCSWOA-NSHDSACASA-N -1 1 315.325 4.033 20 5 DIBDMM CC[C@H](C)[C@@H](C)Oc1ccc2c(c1)oc1cc([O-])ccc1c2=O ZINC001229518195 1053341959 /nfs/dbraw/zinc/34/19/59/1053341959.db2.gz RQPBYHHBUBLUDZ-NWDGAFQWSA-N -1 1 312.365 4.465 20 5 DIBDMM O=c1c2ccc([O-])cc2oc2cc(O[C@H]3C=CCCC3)ccc21 ZINC001229515816 1053342982 /nfs/dbraw/zinc/34/29/82/1053342982.db2.gz GWMNUWILVKNODW-ZDUSSCGKSA-N -1 1 308.333 4.139 20 5 DIBDMM C[C@@H]1CC[C@@H](Oc2ccc3c(c2)oc2cc([O-])ccc2c3=O)C1 ZINC001229517735 1053343568 /nfs/dbraw/zinc/34/35/68/1053343568.db2.gz PQASFHUUBHXMHM-DGCLKSJQSA-N -1 1 310.349 4.219 20 5 DIBDMM Cc1cc([O-])c(O[C@H]2CCc3ccc(Cl)cc32)cc1[N+](=O)[O-] ZINC001229755153 1053401394 /nfs/dbraw/zinc/40/13/94/1053401394.db2.gz WSHNBAPMBTVGNS-HNNXBMFYSA-N -1 1 319.744 4.329 20 5 DIBDMM CCC[C@H](CC)Oc1c([O-])cc(Br)cc1[N+](=O)[O-] ZINC001234877557 1054610773 /nfs/dbraw/zinc/61/07/73/1054610773.db2.gz OIRHEHGBGULOEI-VIFPVBQESA-N -1 1 318.167 4.020 20 5 DIBDMM O=[N+]([O-])c1ccc(-c2nc3cc(Cl)cc(Cl)c3[nH]2)cc1[O-] ZINC001250880345 1061107478 /nfs/dbraw/zinc/10/74/78/1061107478.db2.gz JCAVQLNWHANIES-UHFFFAOYSA-N -1 1 324.123 4.151 20 5 DIBDMM CC(C)c1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c(C(C)C)c1 ZINC000515834789 337999512 /nfs/dbraw/zinc/99/95/12/337999512.db2.gz UWPSLDAPZFVOGA-UHFFFAOYSA-N -1 1 315.373 4.422 20 5 DIBDMM O=c1[n-]c(-c2nc3ccccc3o2)nc2cc3ccccc3cc21 ZINC000487502637 339755122 /nfs/dbraw/zinc/75/51/22/339755122.db2.gz OMZJRJSOXQPQMO-UHFFFAOYSA-N -1 1 313.316 4.297 20 5 DIBDMM CC(C)(C)Sc1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1 ZINC000726777380 1047380731 /nfs/dbraw/zinc/38/07/31/1047380731.db2.gz NNCAQPVEQGICPO-UHFFFAOYSA-N -1 1 319.386 4.066 20 5 DIBDMM O=[N+]([O-])c1cccc([N-]c2nc3cc(Cl)ccc3o2)c1F ZINC001210378773 1050223107 /nfs/dbraw/zinc/22/31/07/1050223107.db2.gz OVXPFPJORSSOHI-UHFFFAOYSA-N -1 1 307.668 4.272 20 5 DIBDMM O=[N+]([O-])c1cccc(Nc2cc(Cl)c(Cl)cc2[O-])c1F ZINC001210384601 1050226215 /nfs/dbraw/zinc/22/62/15/1050226215.db2.gz QDQANGSBEFCZOE-UHFFFAOYSA-N -1 1 317.103 4.490 20 5 DIBDMM O=[N+]([O-])c1cc(Nc2ncccc2Oc2ccccc2)ccc1[O-] ZINC001210393004 1050232106 /nfs/dbraw/zinc/23/21/06/1050232106.db2.gz SLRLQPFWWZPSCR-UHFFFAOYSA-N -1 1 323.308 4.231 20 5 DIBDMM O=[N+]([O-])c1cc(Nc2c(Cl)ncc3ccccc32)ccc1[O-] ZINC001210392399 1050232139 /nfs/dbraw/zinc/23/21/39/1050232139.db2.gz CMFMFFMPIBIHLD-UHFFFAOYSA-N -1 1 315.716 4.246 20 5 DIBDMM O=[N+]([O-])c1cc(F)ccc1Nc1cc(Cl)c([O-])cc1Cl ZINC001210954061 1050431199 /nfs/dbraw/zinc/43/11/99/1050431199.db2.gz UZUXFZDPJLWZFU-UHFFFAOYSA-N -1 1 317.103 4.490 20 5 DIBDMM [O-]c1cc(F)c(-c2cc3cccnc3c3ncccc23)cc1F ZINC001211352520 1050554410 /nfs/dbraw/zinc/55/44/10/1050554410.db2.gz NBMQILVTQNPDEE-UHFFFAOYSA-N -1 1 308.287 4.434 20 5 DIBDMM O=[N+]([O-])c1ccc([O-])c(O[C@@H]2Cc3cccc4cccc2c34)c1 ZINC001229395492 1053311512 /nfs/dbraw/zinc/31/15/12/1053311512.db2.gz BCJIPEWWACDJMZ-MRXNPFEDSA-N -1 1 307.305 4.130 20 5 DIBDMM Cc1ccc(Cl)cc1[C@@H](C)Oc1cc([N+](=O)[O-])ccc1[O-] ZINC001229396229 1053312626 /nfs/dbraw/zinc/31/26/26/1053312626.db2.gz RLXHRIQJZNDBAP-SNVBAGLBSA-N -1 1 307.733 4.402 20 5 DIBDMM O=[N+]([O-])c1ccc([O-])c(OC(c2ccccc2)c2ccccc2)c1 ZINC001229396884 1053312757 /nfs/dbraw/zinc/31/27/57/1053312757.db2.gz BQNAGPGKENWNKQ-UHFFFAOYSA-N -1 1 321.332 4.469 20 5 DIBDMM CCC(=O)c1ccc([O-])cc1O[C@H](C)c1ccccc1[N+](=O)[O-] ZINC001229478432 1053333552 /nfs/dbraw/zinc/33/35/52/1053333552.db2.gz WIUHULVEHCSWOA-LLVKDONJSA-N -1 1 315.325 4.033 20 5 DIBDMM CC[C@@H](Oc1ccc2c(c1)oc1cc([O-])ccc1c2=O)C(C)C ZINC001229515518 1053341861 /nfs/dbraw/zinc/34/18/61/1053341861.db2.gz UVRDNIKAKYDXAU-MRXNPFEDSA-N -1 1 312.365 4.465 20 5 DIBDMM CC[C@@H](C)[C@H](C)Oc1ccc2c(c1)oc1cc([O-])ccc1c2=O ZINC001229518193 1053342840 /nfs/dbraw/zinc/34/28/40/1053342840.db2.gz RQPBYHHBUBLUDZ-NEPJUHHUSA-N -1 1 312.365 4.465 20 5 DIBDMM O=c1c2ccc([O-])cc2oc2cc(O[C@@H]3C=CCCC3)ccc21 ZINC001229515815 1053343153 /nfs/dbraw/zinc/34/31/53/1053343153.db2.gz GWMNUWILVKNODW-CYBMUJFWSA-N -1 1 308.333 4.139 20 5 DIBDMM C[C@H]1CCC[C@@H]1Oc1ccc2c(c1)oc1cc([O-])ccc1c2=O ZINC001229518125 1053343275 /nfs/dbraw/zinc/34/32/75/1053343275.db2.gz RHUBMICBJBXVKQ-ZBEGNZNMSA-N -1 1 310.349 4.219 20 5 DIBDMM Cc1cc([O-])c(O[C@@H](C)CCc2ccccc2)cc1[N+](=O)[O-] ZINC001229751643 1053399021 /nfs/dbraw/zinc/39/90/21/1053399021.db2.gz XCBLSHXBWSBHGE-ZDUSSCGKSA-N -1 1 301.342 4.009 20 5 DIBDMM C[C@H](Oc1ccc2c(c1)oc(=O)c1cc(O)ccc21)C1=CC=C[CH]1 ZINC001229798125 1053406812 /nfs/dbraw/zinc/40/68/12/1053406812.db2.gz RRCBSOVNFWEGBM-LBPRGKRZSA-N -1 1 319.336 4.120 20 5 DIBDMM C[C@@H](Oc1nc2cc([N+](=O)[O-])c(Cl)cc2[n-]1)c1cccs1 ZINC001233500702 1054282106 /nfs/dbraw/zinc/28/21/06/1054282106.db2.gz UIGSMJFVCHBCSE-SSDOTTSWSA-N -1 1 323.761 4.326 20 5 DIBDMM Cc1c(NC(=O)c2ccc3ccccc3c2[O-])cccc1[N+](=O)[O-] ZINC001540360369 1056021502 /nfs/dbraw/zinc/02/15/02/1056021502.db2.gz OYLKRGJZUQUTRG-UHFFFAOYSA-N -1 1 322.320 4.014 20 5 DIBDMM [O-]c1cc(F)c(-c2ncnc3cc4ccccc4cc32)c(F)c1 ZINC001241120367 1056906078 /nfs/dbraw/zinc/90/60/78/1056906078.db2.gz QVGSYKJMJQCHAT-UHFFFAOYSA-N -1 1 308.287 4.434 20 5 DIBDMM O=[N+]([O-])c1ccc([O-])c(-c2nc3cc(Cl)cc(Cl)c3[nH]2)c1 ZINC001251045609 1061200178 /nfs/dbraw/zinc/20/01/78/1061200178.db2.gz MPSRPKZWPQPERM-UHFFFAOYSA-N -1 1 324.123 4.151 20 5 DIBDMM Cc1cc(-c2nc3cc4ccccc4cc3c(=O)[n-]2)cc(C)c1O ZINC000436662705 338281979 /nfs/dbraw/zinc/28/19/79/338281979.db2.gz JOIZBDZLUVRCIO-UHFFFAOYSA-N -1 1 316.360 4.066 20 5 DIBDMM Cc1cc(C)nc(-c2nc3cc4ccccc4cc3c(=O)[n-]2)c1 ZINC000538949757 1047720309 /nfs/dbraw/zinc/72/03/09/1047720309.db2.gz KJBUJYPFMCUKFD-UHFFFAOYSA-N -1 1 301.349 4.167 20 5 DIBDMM Cc1ccc([C@H]2CCCN2Cc2cc([O-])ccc2[N+](=O)[O-])s1 ZINC000339003197 1049140111 /nfs/dbraw/zinc/14/01/11/1049140111.db2.gz YDVFRXUPJAYOIJ-OAHLLOKOSA-N -1 1 318.398 4.007 20 5 DIBDMM O=[N+]([O-])c1cccc(Nc2c(Cl)ccc([O-])c2Cl)c1F ZINC001210384467 1050226723 /nfs/dbraw/zinc/22/67/23/1050226723.db2.gz NWFSIKXUPHBHFP-UHFFFAOYSA-N -1 1 317.103 4.490 20 5 DIBDMM O=[N+]([O-])c1cc(Nc2cnc3cccc(Cl)c3c2)ccc1[O-] ZINC001210395678 1050230878 /nfs/dbraw/zinc/23/08/78/1050230878.db2.gz AVGMSHTUNHORNL-UHFFFAOYSA-N -1 1 315.716 4.246 20 5 DIBDMM Cc1cc(Nc2ccc([O-])c([N+](=O)[O-])c2)c2cccc(F)c2n1 ZINC001210394484 1050231902 /nfs/dbraw/zinc/23/19/02/1050231902.db2.gz WXJLTMZQTSJSAT-UHFFFAOYSA-N -1 1 313.288 4.040 20 5 DIBDMM CC(C)(C)Cc1cc([N-]c2c(F)ccc([N+](=O)[O-])c2F)on1 ZINC001215284902 1051150167 /nfs/dbraw/zinc/15/01/67/1051150167.db2.gz AIWOEIVUYLDPSF-UHFFFAOYSA-N -1 1 311.288 4.193 20 5 DIBDMM CC(C)C[C@@H](C)Oc1ccc2c(c1)oc1cc([O-])ccc1c2=O ZINC001229514485 1053339967 /nfs/dbraw/zinc/33/99/67/1053339967.db2.gz IRJYJJUEZWGNFR-GFCCVEGCSA-N -1 1 312.365 4.465 20 5 DIBDMM C[C@H]1CC[C@H](Oc2ccc3c(c2)oc2cc([O-])ccc2c3=O)C1 ZINC001229517732 1053341741 /nfs/dbraw/zinc/34/17/41/1053341741.db2.gz PQASFHUUBHXMHM-AAEUAGOBSA-N -1 1 310.349 4.219 20 5 DIBDMM Cc1cc([O-])c(O[C@H](C)c2ccccc2Cl)cc1[N+](=O)[O-] ZINC001229749823 1053397641 /nfs/dbraw/zinc/39/76/41/1053397641.db2.gz HRALZHWYCXZJES-SNVBAGLBSA-N -1 1 307.733 4.402 20 5 DIBDMM Cc1cc([O-])c(O[C@@H](C)c2c(F)cccc2F)cc1[N+](=O)[O-] ZINC001229751236 1053399778 /nfs/dbraw/zinc/39/97/78/1053399778.db2.gz TXYSZEPGWLZLJE-VIFPVBQESA-N -1 1 309.268 4.027 20 5 DIBDMM Cc1cc([O-])c([N+](=O)[O-])c(O[C@H](C)c2ccc3ccccc3c2)n1 ZINC001231259186 1053713389 /nfs/dbraw/zinc/71/33/89/1053713389.db2.gz GVRQZPVAZMFOAF-GFCCVEGCSA-N -1 1 324.336 4.297 20 5 DIBDMM Cc1cc([O-])c([N+](=O)[O-])c(O[C@@H](C)c2cc(Cl)ccc2C)n1 ZINC001231259058 1053713708 /nfs/dbraw/zinc/71/37/08/1053713708.db2.gz DULFOZWHKISRAA-JTQLQIEISA-N -1 1 322.748 4.106 20 5 DIBDMM Cc1cc(NC(=O)c2cc([O-])c3ccccc3c2)cc([N+](=O)[O-])c1 ZINC001607512482 1056049522 /nfs/dbraw/zinc/04/95/22/1056049522.db2.gz RIFNSLUGZJRPIW-UHFFFAOYSA-N -1 1 322.320 4.014 20 5 DIBDMM [O-]c1cc(F)c(-c2cc3cccnc3c3ncccc23)c(F)c1 ZINC001241122455 1056906244 /nfs/dbraw/zinc/90/62/44/1056906244.db2.gz DQTGZIXDGYPGJC-UHFFFAOYSA-N -1 1 308.287 4.434 20 5 DIBDMM [O-]c1ccc(F)c(-c2ncnc3cc4ccccc4cc32)c1F ZINC001241290404 1056999101 /nfs/dbraw/zinc/99/91/01/1056999101.db2.gz ROGIPFQLUOGDIW-UHFFFAOYSA-N -1 1 308.287 4.434 20 5 DIBDMM CC(C)(C)c1ccc2nc(-c3ccc([N+](=O)[O-])cc3[O-])[nH]c2c1 ZINC001251009782 1061180285 /nfs/dbraw/zinc/18/02/85/1061180285.db2.gz VHJQOTVUGHNAKZ-UHFFFAOYSA-N -1 1 311.341 4.141 20 5 DIBDMM O=[N+]([O-])c1cc(Cl)cc(-c2nc3ccc(Cl)cc3[nH]2)c1[O-] ZINC001251550851 1061401997 /nfs/dbraw/zinc/40/19/97/1061401997.db2.gz CTIVTMXZJALTNM-UHFFFAOYSA-N -1 1 324.123 4.151 20 5 DIBDMM O=[N+]([O-])c1cccc2ccc(/C=C/c3ccc([O-])c(F)c3)nc21 ZINC000436548595 338276429 /nfs/dbraw/zinc/27/64/29/338276429.db2.gz VHDBOVWTEYRJFW-QPJJXVBHSA-N -1 1 310.284 4.158 20 5 DIBDMM O=[N+]([O-])c1ccc2nc(/C=C/c3ccc([O-])c(F)c3)ccc2c1 ZINC000436851068 338289778 /nfs/dbraw/zinc/28/97/78/338289778.db2.gz BSNMIEXXWOOCFW-DAFODLJHSA-N -1 1 310.284 4.158 20 5 DIBDMM O=C(Nc1ccc2oc3ccccc3c2c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000515781754 1042835343 /nfs/dbraw/zinc/83/53/43/1042835343.db2.gz WMRVPKYYGCBUCX-UHFFFAOYSA-N -1 1 321.292 4.075 20 5 DIBDMM O=[N+]([O-])c1cc(O)cc(Nc2cc(Cl)c(Cl)cc2[O-])c1 ZINC001201222525 1048224403 /nfs/dbraw/zinc/22/44/03/1048224403.db2.gz OAKKUVQQPUINNU-UHFFFAOYSA-N -1 1 315.112 4.056 20 5 DIBDMM O=[N+]([O-])c1ccc2nc(Sc3ccccc3[O-])sc2c1 ZINC001163878240 1048543677 /nfs/dbraw/zinc/54/36/77/1048543677.db2.gz HXTBLFLBPNOGLK-UHFFFAOYSA-N -1 1 304.352 4.061 20 5 DIBDMM Cc1ccc([C@@H]2CCCN2Cc2cc([O-])ccc2[N+](=O)[O-])s1 ZINC000339003192 1049139356 /nfs/dbraw/zinc/13/93/56/1049139356.db2.gz YDVFRXUPJAYOIJ-HNNXBMFYSA-N -1 1 318.398 4.007 20 5 DIBDMM CC(C)C[C@H](NCc1cc([O-])ccc1[N+](=O)[O-])c1ccccc1 ZINC000339064203 1049595262 /nfs/dbraw/zinc/59/52/62/1049595262.db2.gz SVNOPURVPRGOSR-KRWDZBQOSA-N -1 1 314.385 4.177 20 5 DIBDMM O=[N+]([O-])c1cc(Nc2cccnc2-c2ccccc2)ccc1[O-] ZINC001210392185 1050231680 /nfs/dbraw/zinc/23/16/80/1050231680.db2.gz AGICMPQSGKAGFL-UHFFFAOYSA-N -1 1 307.309 4.106 20 5 DIBDMM O=[N+]([O-])c1cc(Nc2cc(Cl)c(O)cc2Cl)ccc1[O-] ZINC001210400190 1050234296 /nfs/dbraw/zinc/23/42/96/1050234296.db2.gz FCZYZVXHTMLVNN-UHFFFAOYSA-N -1 1 315.112 4.056 20 5 DIBDMM O=[N+]([O-])c1cc(F)ccc1Nc1ccc(Cl)c(Cl)c1[O-] ZINC001210953853 1050431650 /nfs/dbraw/zinc/43/16/50/1050431650.db2.gz QORDPJZAMPLSCD-UHFFFAOYSA-N -1 1 317.103 4.490 20 5 DIBDMM O=[N+]([O-])c1ccc([O-])c(O[C@H]2Cc3cccc4cccc2c34)c1 ZINC001229395490 1053312361 /nfs/dbraw/zinc/31/23/61/1053312361.db2.gz BCJIPEWWACDJMZ-INIZCTEOSA-N -1 1 307.305 4.130 20 5 DIBDMM CCC[C@@H](Oc1cc([N+](=O)[O-])ccc1[O-])c1ccc(OC)cc1 ZINC001229395963 1053312508 /nfs/dbraw/zinc/31/25/08/1053312508.db2.gz NXENOGOJHWBOKS-MRXNPFEDSA-N -1 1 317.341 4.229 20 5 DIBDMM Cc1cc([O-])c(O[C@H](C)c2csc(Cl)c2)cc1[N+](=O)[O-] ZINC001229749970 1053397430 /nfs/dbraw/zinc/39/74/30/1053397430.db2.gz IVBOOENHNBLCJP-MRVPVSSYSA-N -1 1 313.762 4.464 20 5 DIBDMM Cc1cc([O-])c(O[C@@H](C)c2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC001229754038 1053399233 /nfs/dbraw/zinc/39/92/33/1053399233.db2.gz KNQDRIKFOKFFSW-JTQLQIEISA-N -1 1 307.733 4.402 20 5 DIBDMM Cc1cc([O-])c(O[C@@H](C)c2cccc(F)c2F)cc1[N+](=O)[O-] ZINC001229754420 1053399610 /nfs/dbraw/zinc/39/96/10/1053399610.db2.gz OWXYHIDJZBOOLM-VIFPVBQESA-N -1 1 309.268 4.027 20 5 DIBDMM CC[C@@H](Oc1cc([N+](=O)[O-])c(C)cc1[O-])c1ccccc1F ZINC001229755588 1053400935 /nfs/dbraw/zinc/40/09/35/1053400935.db2.gz YYKUBABNGXSPIY-OAHLLOKOSA-N -1 1 305.305 4.278 20 5 DIBDMM C[C@H](Oc1nc2cc([N+](=O)[O-])c(Cl)cc2[n-]1)c1ccccc1 ZINC001233499686 1054283123 /nfs/dbraw/zinc/28/31/23/1054283123.db2.gz PNRTUEAACKIYJM-VIFPVBQESA-N -1 1 317.732 4.265 20 5 DIBDMM O=[N+]([O-])c1ccc([O-])cc1CN1CCCC[C@H]1c1ccccc1 ZINC001616972682 1056749357 /nfs/dbraw/zinc/74/93/57/1056749357.db2.gz DWJAYPFKXPXOTJ-KRWDZBQOSA-N -1 1 312.369 4.028 20 5 DIBDMM c1ccc2c(c1)cc1ccccc1c2-c1ccc(-c2nnn[n-]2)nc1 ZINC001241379938 1057031353 /nfs/dbraw/zinc/03/13/53/1057031353.db2.gz IQCLWIOVYPOJQL-UHFFFAOYSA-N -1 1 323.359 4.235 20 5 DIBDMM c1ccc2c(c1)cc1ccccc1c2-c1ccc(-c2nn[n-]n2)nc1 ZINC001241379938 1057031355 /nfs/dbraw/zinc/03/13/55/1057031355.db2.gz IQCLWIOVYPOJQL-UHFFFAOYSA-N -1 1 323.359 4.235 20 5 DIBDMM COc1ccc([N-]c2cc(C3CCCCC3)no2)c([N+](=O)[O-])c1 ZINC001248457776 1059843893 /nfs/dbraw/zinc/84/38/93/1059843893.db2.gz YKUGDCYWEZQIER-UHFFFAOYSA-N -1 1 317.345 4.383 20 5 DIBDMM COc1ccc([N-]c2cc(-c3cccs3)no2)c([N+](=O)[O-])c1 ZINC001248465979 1059847528 /nfs/dbraw/zinc/84/75/28/1059847528.db2.gz JHPYIDLKJNDIQJ-UHFFFAOYSA-N -1 1 317.326 4.064 20 5 DIBDMM Cc1ncc([N+](=O)[O-])cc1Nc1c(Cl)ccc([O-])c1Cl ZINC001249545403 1060281047 /nfs/dbraw/zinc/28/10/47/1060281047.db2.gz MQEIOKHBWPNTBJ-UHFFFAOYSA-N -1 1 314.128 4.054 20 5 DIBDMM