smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(Nc1cc(Cl)ccc1[O-])c1ccc(Cl)cc1[N+](=O)[O-] ZINC000000467177 564000789 /nfs/dbraw/zinc/00/07/89/564000789.db2.gz UOESBOWYBYQXRR-UHFFFAOYSA-N -1 1 327.123 3.860 50 5 EHBAMM CC(C)(C)c1nnc([N-]C(=O)c2ccc(Cl)cc2[N+](=O)[O-])s1 ZINC000000302658 563990807 /nfs/dbraw/zinc/99/08/07/563990807.db2.gz QVJJFNSCPQWWOQ-UHFFFAOYSA-N -1 1 340.792 3.650 50 5 EHBAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(C)C)cc2)cc1[N+](=O)[O-] ZINC000005126700 563994455 /nfs/dbraw/zinc/99/44/55/563994455.db2.gz DRUIJEOYEREEHO-UHFFFAOYSA-N -1 1 334.397 3.827 50 5 EHBAMM CC(C)Cc1nnc([N-]C(=O)c2ccc([N+](=O)[O-])cc2Cl)s1 ZINC000001137704 206266537 /nfs/dbraw/zinc/26/65/37/206266537.db2.gz CYJTUBCWGIBXKA-UHFFFAOYSA-N -1 1 340.792 3.551 50 5 EHBAMM Cc1ccc(N[C@H](c2ccc(C)c([N+](=O)[O-])c2)[P@](=O)([O-])O)cc1 ZINC000012523573 207164308 /nfs/dbraw/zinc/16/43/08/207164308.db2.gz KEHVQUXLODLSLE-HNNXBMFYSA-N -1 1 336.284 3.500 50 5 EHBAMM O=C1[N-]C(=S)SC1=Cc1cccn1-c1ccc([N+](=O)[O-])cc1 ZINC000012693489 207186192 /nfs/dbraw/zinc/18/61/92/207186192.db2.gz URVIRCVXYRWMIM-WQLSENKSSA-N -1 1 331.378 3.715 50 5 EHBAMM O=[N+]([O-])c1cccc2c([N-]S(=O)(=O)c3ccccc3)cccc21 ZINC000004818007 563974944 /nfs/dbraw/zinc/97/49/44/563974944.db2.gz FBPVMMOORMOZDW-UHFFFAOYSA-N -1 1 328.349 3.549 50 5 EHBAMM CC(C)(C)c1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000006316055 564084471 /nfs/dbraw/zinc/08/44/71/564084471.db2.gz GLYHPRSSXCXMGV-UHFFFAOYSA-N -1 1 334.397 3.693 50 5 EHBAMM O=C1[N-]C(=S)SC1=Cc1cccn1-c1cccc([N+](=O)[O-])c1 ZINC000001212846 564056556 /nfs/dbraw/zinc/05/65/56/564056556.db2.gz FWVSOGBLFFIYHS-XYOKQWHBSA-N -1 1 331.378 3.715 50 5 EHBAMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1cc(Cl)ccc1Cl ZINC000000168738 563987463 /nfs/dbraw/zinc/98/74/63/563987463.db2.gz BYEWKUITHCEFAT-UHFFFAOYSA-N -1 1 347.179 3.702 50 5 EHBAMM CC[C@H](C)c1ccccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000005000160 563993674 /nfs/dbraw/zinc/99/36/74/563993674.db2.gz SMIBEIRLVGHCOM-LBPRGKRZSA-N -1 1 334.397 3.909 50 5 EHBAMM O=C1[N-]C(=S)SC1=Cc1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000004054382 564061713 /nfs/dbraw/zinc/06/17/13/564061713.db2.gz ZYLHAQUFHZOLDC-UKTHLTGXSA-N -1 1 349.437 3.914 50 5 EHBAMM CCCCNc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000003878226 564159571 /nfs/dbraw/zinc/15/95/71/564159571.db2.gz SQIDKSVHTOXXAH-UHFFFAOYSA-N -1 1 349.412 3.608 50 5 EHBAMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000005008011 206496853 /nfs/dbraw/zinc/49/68/53/206496853.db2.gz LIGKCXCZQJSAOY-UHFFFAOYSA-N -1 1 340.788 3.666 50 5 EHBAMM Cc1ccc(-c2nc(C(=O)[N-]c3ccncc3[N+](=O)[O-])cs2)cc1 ZINC000065614136 564108406 /nfs/dbraw/zinc/10/84/06/564108406.db2.gz PZRZVQUAHZZOOH-UHFFFAOYSA-N -1 1 340.364 3.674 50 5 EHBAMM CC(C)(C)c1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000096111304 564145388 /nfs/dbraw/zinc/14/53/88/564145388.db2.gz MDFPPRZYASBLMY-UHFFFAOYSA-N -1 1 334.397 3.693 50 5 EHBAMM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)c1C ZINC000003355233 564157626 /nfs/dbraw/zinc/15/76/26/564157626.db2.gz NDQZVJNYRIHJIY-UHFFFAOYSA-N -1 1 334.397 3.629 50 5 EHBAMM Cc1ccc(C)c(-c2nnc([N-]C(=O)c3ccccc3[N+](=O)[O-])o2)c1 ZINC000004479505 563729581 /nfs/dbraw/zinc/72/95/81/563729581.db2.gz WBOOICGEBMLJAU-UHFFFAOYSA-N -1 1 338.323 3.514 50 5 EHBAMM CC[C@H](C)c1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000006316729 564084545 /nfs/dbraw/zinc/08/45/45/564084545.db2.gz RMIOWZXAJWTTRI-LBPRGKRZSA-N -1 1 334.397 3.909 50 5 EHBAMM Cc1cc(C)c(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2C)c(C)c1 ZINC000000287864 563990192 /nfs/dbraw/zinc/99/01/92/563990192.db2.gz FSLXILYYIPGLOA-UHFFFAOYSA-N -1 1 334.397 3.629 50 5 EHBAMM CC1=Nc2c(c(=O)[n-]n2C(C)C)[C@H](c2cccc([N+](=O)[O-])c2)S1 ZINC000071284144 564110859 /nfs/dbraw/zinc/11/08/59/564110859.db2.gz RQCITJJMKBKCSS-ZDUSSCGKSA-N -1 1 332.385 3.552 50 5 EHBAMM O=C([N-]c1ccccc1[N+](=O)[O-])c1c(F)c(F)c(F)c(F)c1F ZINC000005093234 210387702 /nfs/dbraw/zinc/38/77/02/210387702.db2.gz ZESJXBKVZOSFGO-UHFFFAOYSA-N -1 1 332.184 3.543 50 5 EHBAMM Cc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc2ccccc2c1 ZINC000000582029 564024570 /nfs/dbraw/zinc/02/45/70/564024570.db2.gz VVCGVXUEGRFEDV-UHFFFAOYSA-N -1 1 342.376 3.857 50 5 EHBAMM Cc1cc(C(=O)[N-]c2c(F)c(F)c(F)c(F)c2F)ccc1[N+](=O)[O-] ZINC000004611116 210232172 /nfs/dbraw/zinc/23/21/72/210232172.db2.gz GZNDOIPJROFHGB-UHFFFAOYSA-N -1 1 346.211 3.851 50 5 EHBAMM Cc1ccc([N-]C(=O)c2c(F)c(F)c(F)c(F)c2F)c([N+](=O)[O-])c1 ZINC000004652558 210238918 /nfs/dbraw/zinc/23/89/18/210238918.db2.gz VFJKLWMCDLGVCL-UHFFFAOYSA-N -1 1 346.211 3.851 50 5 EHBAMM O=c1oc2ccc(Cl)cc2cc1-c1nc2cc([N+](=O)[O-])ccc2[n-]1 ZINC000020615298 212155882 /nfs/dbraw/zinc/15/58/82/212155882.db2.gz HUXLULNFTZUEEQ-UHFFFAOYSA-N -1 1 341.710 3.898 50 5 EHBAMM O=C1[N-]C(=O)C(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)S1 ZINC000005016929 210362055 /nfs/dbraw/zinc/36/20/55/210362055.db2.gz GYNARUZKSWRZKG-GHXNOFRVSA-N -1 1 332.362 3.647 50 5 EHBAMM Cn1ncc2c1[nH]c1c(oc3cc([O-])cc(=O)c31)c2-c1ccc(O)cc1 ZINC000263586197 564061532 /nfs/dbraw/zinc/06/15/32/564061532.db2.gz RDHJGHAIKZYEOF-UHFFFAOYSA-N -1 1 347.330 3.652 50 5 biogenic EHBAMM Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(C)c1 ZINC000003885200 210082983 /nfs/dbraw/zinc/08/29/83/210082983.db2.gz TWYKCUHKBHKOHK-UHFFFAOYSA-N -1 1 340.788 3.666 50 5 EHBAMM Cc1c([N-]S(=O)(=O)c2ccc3ccccc3c2)cccc1[N+](=O)[O-] ZINC000000582492 564024555 /nfs/dbraw/zinc/02/45/55/564024555.db2.gz ZXXQRVSULGVBQZ-UHFFFAOYSA-N -1 1 342.376 3.857 50 5 EHBAMM Cc1cccc(C(C)C)c1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000005027822 210366565 /nfs/dbraw/zinc/36/65/65/210366565.db2.gz NBSNIOGBNBVPET-UHFFFAOYSA-N -1 1 334.397 3.827 50 5 EHBAMM CC[C@@H](C)c1ccccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000005000159 210356309 /nfs/dbraw/zinc/35/63/09/210356309.db2.gz SMIBEIRLVGHCOM-GFCCVEGCSA-N -1 1 334.397 3.909 50 5 EHBAMM CCc1ccc([N-]S(=O)(=O)c2cc(C)ccc2C)cc1[N+](=O)[O-] ZINC000026544422 564082908 /nfs/dbraw/zinc/08/29/08/564082908.db2.gz OKHOCQZLFKTVHG-UHFFFAOYSA-N -1 1 334.397 3.575 50 5 EHBAMM O=C([N-]c1nnc(-c2ccccc2)s1)c1ccc(F)cc1[N+](=O)[O-] ZINC000095965084 564142900 /nfs/dbraw/zinc/14/29/00/564142900.db2.gz ZKLZZSAIXVPTCY-UHFFFAOYSA-N -1 1 344.327 3.505 50 5 EHBAMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]c1ccccc1Cl ZINC000004566446 210222185 /nfs/dbraw/zinc/22/21/85/210222185.db2.gz FFHQXUDIEFAUTE-UHFFFAOYSA-N -1 1 347.179 3.702 50 5 EHBAMM CCCCc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000014255782 563983712 /nfs/dbraw/zinc/98/37/12/563983712.db2.gz DKECJEYSPHXWDY-UHFFFAOYSA-N -1 1 334.397 3.738 50 5 EHBAMM CCc1cccc(CC)c1[N-]S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000004980374 210348770 /nfs/dbraw/zinc/34/87/70/210348770.db2.gz ZUBNSPMZHCTKOJ-UHFFFAOYSA-N -1 1 348.424 3.829 50 5 EHBAMM CCCCc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000005259984 564001564 /nfs/dbraw/zinc/00/15/64/564001564.db2.gz PWFZAXDWTNUTGV-UHFFFAOYSA-N -1 1 334.397 3.738 50 5 EHBAMM O=[N+]([O-])c1cc([N-]S(=O)(=O)c2ccc3ccccc3c2)ccc1F ZINC000003411196 210031843 /nfs/dbraw/zinc/03/18/43/210031843.db2.gz ZWDSCTHPOKMSAS-UHFFFAOYSA-N -1 1 346.339 3.688 50 5 EHBAMM CCOc1ccccc1[N-]c1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000104231089 219363645 /nfs/dbraw/zinc/36/36/45/219363645.db2.gz AJGQPKHCTZQAOX-UHFFFAOYSA-N -1 1 348.271 3.554 50 5 EHBAMM Cc1ccc(C(=O)[N-]c2c(F)c(F)c(F)c(F)c2F)cc1[N+](=O)[O-] ZINC000002899510 564152962 /nfs/dbraw/zinc/15/29/62/564152962.db2.gz UBSMWAAIHIQTCT-UHFFFAOYSA-N -1 1 346.211 3.851 50 5 EHBAMM Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000005014837 210362661 /nfs/dbraw/zinc/36/26/61/210362661.db2.gz UCIPODCGVZCWDO-UHFFFAOYSA-N -1 1 340.788 3.666 50 5 EHBAMM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000004993605 210352799 /nfs/dbraw/zinc/35/27/99/210352799.db2.gz IEIYJVRJFZDLRT-UHFFFAOYSA-N -1 1 340.788 3.666 50 5 EHBAMM CC[C@@H](C)c1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000000300717 563990778 /nfs/dbraw/zinc/99/07/78/563990778.db2.gz ULBRAZCKMZFVEN-GFCCVEGCSA-N -1 1 334.397 3.909 50 5 EHBAMM CC1=Nc2c(c(=O)[n-]n2C(C)C)[C@H](c2ccc([N+](=O)[O-])cc2)S1 ZINC000085412293 564072855 /nfs/dbraw/zinc/07/28/55/564072855.db2.gz YDHNBKFUTFXWLQ-ZDUSSCGKSA-N -1 1 332.385 3.552 50 5 EHBAMM O=C([N-]c1cccc2oc(C(F)(F)F)nc21)c1ccc([N+](=O)[O-])o1 ZINC000095980682 564143714 /nfs/dbraw/zinc/14/37/14/564143714.db2.gz XRBVBVQYQYMGJP-UHFFFAOYSA-N -1 1 341.201 3.600 50 5 EHBAMM O=c1cc2oc3ccccc3[nH]c-2c2c(=O)c3ccccc3c([O-])c1-2 ZINC000100480826 219100253 /nfs/dbraw/zinc/10/02/53/219100253.db2.gz XSURCMBFTQESTA-UHFFFAOYSA-N -1 1 329.311 3.647 50 5 EHBAMM O=c1c2ccccc2c(=O)c2c3[nH]c4ccccc4oc3cc([O-])c12 ZINC000100480826 219100256 /nfs/dbraw/zinc/10/02/56/219100256.db2.gz XSURCMBFTQESTA-UHFFFAOYSA-N -1 1 329.311 3.647 50 5 EHBAMM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2)cc1 ZINC000014256005 563983703 /nfs/dbraw/zinc/98/37/03/563983703.db2.gz LQGSJACLHUFFAF-UHFFFAOYSA-N -1 1 334.397 3.693 50 5 EHBAMM CC(C)(C)c1nnc([N-]C(=O)c2ccc([N+](=O)[O-])cc2Cl)s1 ZINC000000303538 563990788 /nfs/dbraw/zinc/99/07/88/563990788.db2.gz VCWBJORBASGMJD-UHFFFAOYSA-N -1 1 340.792 3.650 50 5 EHBAMM O=c1cc(C(F)(F)F)nc(SCc2ccc([N+](=O)[O-])cc2F)[n-]1 ZINC000170650904 564120351 /nfs/dbraw/zinc/12/03/51/564120351.db2.gz ZRKHLCDBJHZJBK-UHFFFAOYSA-N -1 1 349.265 3.541 50 5 EHBAMM CC(C)Cc1ccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2)cc1 ZINC000003907347 210090913 /nfs/dbraw/zinc/09/09/13/210090913.db2.gz UEDHHWSJONLDPY-UHFFFAOYSA-N -1 1 334.397 3.594 50 5 EHBAMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1Cl ZINC000003885222 210083979 /nfs/dbraw/zinc/08/39/79/210083979.db2.gz VVRJAJZQRIVRJL-UHFFFAOYSA-N -1 1 347.179 3.702 50 5 EHBAMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1cccc(Cl)c1Cl ZINC000005584314 564005936 /nfs/dbraw/zinc/00/59/36/564005936.db2.gz OOSRILQVLZVDMQ-UHFFFAOYSA-N -1 1 347.179 3.702 50 5 EHBAMM CCc1ccc([N-]S(=O)(=O)c2ccc(C)c(C)c2)cc1[N+](=O)[O-] ZINC000026544419 563892155 /nfs/dbraw/zinc/89/21/55/563892155.db2.gz OEXSMYSJDULFSV-UHFFFAOYSA-N -1 1 334.397 3.575 50 5 EHBAMM Cn1ncc2c1[nH]c1c(oc3cc([O-])cc(=O)c31)c2-c1ccccc1 ZINC000263588650 564061911 /nfs/dbraw/zinc/06/19/11/564061911.db2.gz WRLRTNZLSYZHCW-UHFFFAOYSA-N -1 1 331.331 3.946 50 5 EHBAMM CCc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000026544429 564082891 /nfs/dbraw/zinc/08/28/91/564082891.db2.gz UXXGSUZNKLYYFX-UHFFFAOYSA-N -1 1 340.788 3.611 50 5 EHBAMM CC(C)(C)c1nnc([N-]C(=O)c2cc([N+](=O)[O-])ccc2Cl)s1 ZINC000000303555 563990795 /nfs/dbraw/zinc/99/07/95/563990795.db2.gz RCGADAINGJKKPA-UHFFFAOYSA-N -1 1 340.792 3.650 50 5 EHBAMM Cc1c(C(=O)[N-]c2c(F)c(F)c(F)c(F)c2F)cccc1[N+](=O)[O-] ZINC000002780048 564152570 /nfs/dbraw/zinc/15/25/70/564152570.db2.gz KLZMSRMMMLQZAX-UHFFFAOYSA-N -1 1 346.211 3.851 50 5 EHBAMM O=c1cc(-c2ccccc2)nc(SCc2ccc([N+](=O)[O-])cc2)[n-]1 ZINC000016399732 564084776 /nfs/dbraw/zinc/08/47/76/564084776.db2.gz GGKRNYBSTXRTTB-UHFFFAOYSA-N -1 1 339.376 3.637 50 5 EHBAMM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2C)c(C)c1 ZINC000004594735 210228635 /nfs/dbraw/zinc/22/86/35/210228635.db2.gz SSUSNGSBZONHCG-UHFFFAOYSA-N -1 1 334.397 3.629 50 5 EHBAMM Cc1cc(C)c([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c(C)c1 ZINC000004148344 210132209 /nfs/dbraw/zinc/13/22/09/210132209.db2.gz XCYROTMWKJLOOG-UHFFFAOYSA-N -1 1 334.397 3.629 50 5 EHBAMM O=C([N-]c1c(F)c(F)c(F)c(F)c1F)c1cccc([N+](=O)[O-])c1 ZINC000002899081 563644659 /nfs/dbraw/zinc/64/46/59/563644659.db2.gz CZGMIKXBHJSRFK-UHFFFAOYSA-N -1 1 332.184 3.543 50 5 EHBAMM CC[C@H](C)c1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000000300720 563990776 /nfs/dbraw/zinc/99/07/76/563990776.db2.gz ULBRAZCKMZFVEN-LBPRGKRZSA-N -1 1 334.397 3.909 50 5 EHBAMM Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1C ZINC000005392737 564003569 /nfs/dbraw/zinc/00/35/69/564003569.db2.gz AWDDDERUIZYBJU-UHFFFAOYSA-N -1 1 340.788 3.666 50 5 EHBAMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(Cl)c1C ZINC000006588863 564092372 /nfs/dbraw/zinc/09/23/72/564092372.db2.gz PRUBENMWSZCVAS-UHFFFAOYSA-N -1 1 340.788 3.666 50 5 EHBAMM CCc1cccc(C)c1[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000015243186 568419750 /nfs/dbraw/zinc/41/97/50/568419750.db2.gz LESNKXYDYRJDDD-UHFFFAOYSA-N -1 1 348.424 3.883 50 5 EHBAMM CC(C)c1ccc(S(=O)(=O)[N-]c2ccc(F)c([N+](=O)[O-])c2)cc1 ZINC000002657947 564151984 /nfs/dbraw/zinc/15/19/84/564151984.db2.gz ZDSPHSZCWQHNLI-UHFFFAOYSA-N -1 1 338.360 3.658 50 5 EHBAMM O=C([N-]c1c(F)c(F)c(F)c(F)c1F)c1ccc([N+](=O)[O-])cc1 ZINC000002765360 564152490 /nfs/dbraw/zinc/15/24/90/564152490.db2.gz RJMHJNXSGWITAA-UHFFFAOYSA-N -1 1 332.184 3.543 50 5 EHBAMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1ccc(Cl)cc1Cl ZINC000001230635 564060933 /nfs/dbraw/zinc/06/09/33/564060933.db2.gz GQDWEYBJOJSJCO-UHFFFAOYSA-N -1 1 347.179 3.702 50 5 EHBAMM Cc1ccc2[nH]c3c4c(=O)c5ccccc5c([O-])c-4c(=O)cc-3oc2c1 ZINC000004333615 210173106 /nfs/dbraw/zinc/17/31/06/210173106.db2.gz HEAHTZNDLNUKHA-UHFFFAOYSA-N -1 1 343.338 3.955 50 5 EHBAMM Cc1ccc2[nH]c3c(cc([O-])c4c(=O)c5ccccc5c(=O)c34)oc2c1 ZINC000004333615 210173113 /nfs/dbraw/zinc/17/31/13/210173113.db2.gz HEAHTZNDLNUKHA-UHFFFAOYSA-N -1 1 343.338 3.955 50 5 EHBAMM Cc1cc(C)c([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c(C)c1 ZINC000004297016 210163807 /nfs/dbraw/zinc/16/38/07/210163807.db2.gz ZRYWLQXRQSYAGP-UHFFFAOYSA-N -1 1 334.397 3.629 50 5 EHBAMM O=C([N-]c1nnc(-c2ccc(Cl)cc2)o1)c1ccccc1[N+](=O)[O-] ZINC000004276155 210158058 /nfs/dbraw/zinc/15/80/58/210158058.db2.gz DBTSCCOCFUAVDM-UHFFFAOYSA-N -1 1 344.714 3.551 50 5 EHBAMM O=[N+]([O-])c1cccc2c([N-]S(=O)(=O)c3ccc(F)cc3)cccc21 ZINC000004980355 210348133 /nfs/dbraw/zinc/34/81/33/210348133.db2.gz DTWFOPCPUPNTOH-UHFFFAOYSA-N -1 1 346.339 3.688 50 5 EHBAMM Cc1cc(C)c(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2C)c(C)c1 ZINC000000304398 563990767 /nfs/dbraw/zinc/99/07/67/563990767.db2.gz FFMFWNURNYRRIV-UHFFFAOYSA-N -1 1 334.397 3.629 50 5 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