smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=c1c(Sc2ccc([N+](=O)[O-])cc2)c(O)cc(-c2ccccc2)n1-c1ccccc1 ZINC000000704356 568462759 /nfs/dbraw/zinc/46/27/59/568462759.db2.gz YDGVNXOJJXPDEW-UHFFFAOYSA-N 0 1 416.458 5.270 50 5 HKBAMN COc1cccc(-c2nc(-c3cc([N+](=O)[O-])ccc3C)c(-c3ccccc3)[nH]2)c1OC ZINC000000860665 568713458 /nfs/dbraw/zinc/71/34/58/568713458.db2.gz WHOAREPZVDFRMD-UHFFFAOYSA-N 0 1 415.449 5.645 50 5 HKBAMN Cc1ccc(-c2c3c(nc4c5ccccc5nnc42)sc2c3[nH]c(C)nc2=O)cc1 ZINC000001008940 568762031 /nfs/dbraw/zinc/76/20/31/568762031.db2.gz YRMFAHIFRXYFPO-UHFFFAOYSA-N 0 1 409.474 5.325 50 5 HKBAMN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cc3cccc4ccc5cccc2c5c43)cc1 ZINC000001044371 557155463 /nfs/dbraw/zinc/15/54/63/557155463.db2.gz VYKOVMUAQJFCMF-UHFFFAOYSA-N 0 1 402.431 5.293 50 5 HKBAMN O=[N+]([O-])c1cc(C(F)(F)F)ccc1Sc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000001047246 568764612 /nfs/dbraw/zinc/76/46/12/568764612.db2.gz YHASWBDWOXXMEA-UHFFFAOYSA-N 0 1 400.769 5.203 50 5 HKBAMN COc1ccc(-c2nc(-c3cc([N+](=O)[O-])ccc3OC)c(-c3ccccc3)[nH]2)cc1O ZINC000001143035 568772298 /nfs/dbraw/zinc/77/22/98/568772298.db2.gz KGNWERYRFMCZEN-UHFFFAOYSA-N 0 1 417.421 5.042 50 5 HKBAMN Cc1ccc(C(=O)Nc2ccc(-c3nc4cc(Cl)ccc4o3)c(O)c2)cc1[N+](=O)[O-] ZINC000001169966 568775359 /nfs/dbraw/zinc/77/53/59/568775359.db2.gz WURRGLKSHHDUQC-UHFFFAOYSA-N 0 1 423.812 5.323 50 5 HKBAMN Cc1ccc2oc(-c3ccc(NC(=O)c4cc([N+](=O)[O-])ccc4Cl)cc3O)nc2c1 ZINC000001216630 568824793 /nfs/dbraw/zinc/82/47/93/568824793.db2.gz QPWHVHOIKGMHSI-UHFFFAOYSA-N 0 1 423.812 5.323 50 5 HKBAMN O=[N+]([O-])c1cccc(-c2cc(-c3ccccc3)nc(-c3cc(Cl)ccc3O)c2)c1 ZINC000001864047 569056731 /nfs/dbraw/zinc/05/67/31/569056731.db2.gz JIDRMYRBBRZIHF-UHFFFAOYSA-N 0 1 402.837 6.350 50 5 HKBAMN O=[N+]([O-])c1cccc(-c2nc(-c3cccc(Cl)c3Cl)c(-c3ccccc3)[nH]2)c1 ZINC000002309766 569372792 /nfs/dbraw/zinc/37/27/92/569372792.db2.gz YVHBNZCOBSQLJW-UHFFFAOYSA-N 0 1 410.260 6.626 50 5 HKBAMN COc1ccc(-c2[nH]c(-c3cc([N+](=O)[O-])ccc3Cl)nc2-c2ccccc2)cc1 ZINC000002310207 569372814 /nfs/dbraw/zinc/37/28/14/569372814.db2.gz OOXOQSYCMWKMNS-UHFFFAOYSA-N 0 1 405.841 5.981 50 5 HKBAMN COc1ccc(-c2nc(-c3cc([N+](=O)[O-])ccc3C)c(-c3ccccc3)[nH]2)cc1O ZINC000002312011 569373882 /nfs/dbraw/zinc/37/38/82/569373882.db2.gz UEZCBXVDBWYLOM-UHFFFAOYSA-N 0 1 401.422 5.342 50 5 HKBAMN CCOc1cc(-c2nc(-c3cc([N+](=O)[O-])ccc3C)c(-c3ccccc3)[nH]2)ccc1O ZINC000002312190 569373866 /nfs/dbraw/zinc/37/38/66/569373866.db2.gz RLWKQEMNTBXNDI-UHFFFAOYSA-N 0 1 415.449 5.732 50 5 HKBAMN c1csc(-c2nc(-c3c4ccccc4cc4ccccc43)[nH]c2-c2ccccc2)c1 ZINC000002312313 569373991 /nfs/dbraw/zinc/37/39/91/569373991.db2.gz BNOYIWFBXWRCLA-UHFFFAOYSA-N 0 1 402.522 7.779 50 5 HKBAMN O=[N+]([O-])c1cc(-c2nc(-c3cccc(Cl)c3)c(-c3ccccc3)[nH]2)ccc1Cl ZINC000002321921 569375200 /nfs/dbraw/zinc/37/52/00/569375200.db2.gz CTBLMZWVGNVSDI-UHFFFAOYSA-N 0 1 410.260 6.626 50 5 HKBAMN O=[N+]([O-])c1ccc(-c2nc(-c3ccc(Br)cc3)[nH]c2-c2ccccc2)cc1 ZINC000002468771 568772947 /nfs/dbraw/zinc/77/29/47/568772947.db2.gz YFRWZIYSYFYPSC-UHFFFAOYSA-N 0 1 420.266 6.081 50 5 HKBAMN O=[N+]([O-])c1ccc(-c2ccc(-c3nc(-c4ccccc4)[nH]c3-c3ccccc3)cc2)cc1 ZINC000002911681 568815712 /nfs/dbraw/zinc/81/57/12/568815712.db2.gz NGINIFIYZMEUBR-UHFFFAOYSA-N 0 1 417.468 6.986 50 5 HKBAMN CCN(CCCn1c(=O)c2cc3ccccc3cc2[nH]c1=S)c1cccc(C)c1 ZINC000002974091 568832320 /nfs/dbraw/zinc/83/23/20/568832320.db2.gz QJUSAZJTPUEUPB-UHFFFAOYSA-N 0 1 403.551 5.437 50 5 HKBAMN COc1ccc(OC)c(-c2nc(-c3ccc([N+](=O)[O-])cc3)c(-c3ccccc3)[nH]2)c1 ZINC000002997998 568836120 /nfs/dbraw/zinc/83/61/20/568836120.db2.gz KRDUHJVCPUKUTE-UHFFFAOYSA-N 0 1 401.422 5.336 50 5 HKBAMN CCCCCc1ccc(-c2n[nH]c(SCC(=O)c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000004394006 558484620 /nfs/dbraw/zinc/48/46/20/558484620.db2.gz GGWKMEAREHLJFB-UHFFFAOYSA-N 0 1 410.499 5.088 50 5 HKBAMN Cn1c(-c2cccc([N+](=O)[O-])c2)cnc1NCc1ccc(OCc2ccccc2)cc1 ZINC000004678447 558889808 /nfs/dbraw/zinc/88/98/08/558889808.db2.gz SDEQGDLHQCYROU-UHFFFAOYSA-N 0 1 414.465 5.186 50 5 HKBAMN Cn1c(-c2cccc([N+](=O)[O-])c2)cnc1NCc1cccc(OCc2ccccc2)c1 ZINC000004678533 558889757 /nfs/dbraw/zinc/88/97/57/558889757.db2.gz XDKTUTCOCCFKEA-UHFFFAOYSA-N 0 1 414.465 5.186 50 5 HKBAMN Cn1c(-c2cccc([N+](=O)[O-])c2)cnc1NCc1cccc(Oc2ccccc2)c1 ZINC000004678578 558890091 /nfs/dbraw/zinc/89/00/91/558890091.db2.gz ADFVDMXEJIZSRF-UHFFFAOYSA-N 0 1 400.438 5.400 50 5 HKBAMN O=[N+]([O-])c1cccc(-c2nc(-c3ccccc3)c(-c3ccc(-c4ccccc4)cc3)[nH]2)c1 ZINC000004714773 558914530 /nfs/dbraw/zinc/91/45/30/558914530.db2.gz HGEPYDFFKHDQGL-UHFFFAOYSA-N 0 1 417.468 6.986 50 5 HKBAMN O=c1cc(CSc2nc(-c3ccccc3F)n[nH]2)c2c(ccc3ccccc32)o1 ZINC000004878513 559195866 /nfs/dbraw/zinc/19/58/66/559195866.db2.gz BPBJPLBXLDHFAH-UHFFFAOYSA-N 0 1 403.438 5.163 50 5 HKBAMN O=[N+]([O-])c1ccccc1-c1nc(-c2cccc(Cl)c2Cl)c(-c2ccccc2)[nH]1 ZINC000004889303 559197800 /nfs/dbraw/zinc/19/78/00/559197800.db2.gz JRNMBMNPTFBVMJ-UHFFFAOYSA-N 0 1 410.260 6.626 50 5 HKBAMN COc1ccc(-c2nc(-c3cc([N+](=O)[O-])ccc3OC)c(-c3ccccc3)[nH]2)cc1 ZINC000004954575 559215337 /nfs/dbraw/zinc/21/53/37/559215337.db2.gz AXEZSZACDDGIMV-UHFFFAOYSA-N 0 1 401.422 5.336 50 5 HKBAMN COc1ccc([N+](=O)[O-])cc1-c1nc(-c2c[nH]c3ccccc23)[nH]c1-c1ccccc1 ZINC000004954584 559216463 /nfs/dbraw/zinc/21/64/63/559216463.db2.gz WAXUDATYIWYZTJ-UHFFFAOYSA-N 0 1 410.433 5.809 50 5 HKBAMN O=C(Nc1ccc(-c2nc3ccc4ccccc4c3[nH]2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000005125942 559247753 /nfs/dbraw/zinc/24/77/53/559247753.db2.gz KTEITBWBRGGLEX-UHFFFAOYSA-N 0 1 408.417 5.544 50 5 HKBAMN O=C(Nc1ccc(-c2nc3ccccc3o2)c(O)c1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000005197457 559291933 /nfs/dbraw/zinc/29/19/33/559291933.db2.gz ZMIRNPYMVJZFLV-UHFFFAOYSA-N 0 1 409.785 5.014 50 5 HKBAMN COc1ccc(-c2nc(-c3cccc([N+](=O)[O-])c3)[nH]c2-c2ccccc2)cc1OC ZINC000005595682 560627781 /nfs/dbraw/zinc/62/77/81/560627781.db2.gz KJQSBWBIILXGKB-UHFFFAOYSA-N 0 1 401.422 5.336 50 5 HKBAMN O=[N+]([O-])c1ccc(-c2nc(-c3cccc(Cl)c3Cl)c(-c3ccccc3)[nH]2)cc1 ZINC000005729614 560857289 /nfs/dbraw/zinc/85/72/89/560857289.db2.gz FOFKJKPREGGSND-UHFFFAOYSA-N 0 1 410.260 6.626 50 5 HKBAMN COc1ccc(-c2[nH]nc(-c3ccc([N+](=O)[O-])cc3)c2-c2nc3ccccc3[nH]2)cc1 ZINC000005902995 568828984 /nfs/dbraw/zinc/82/89/84/568828984.db2.gz VQHSFQRNIYTXPV-UHFFFAOYSA-N 0 1 411.421 5.204 50 5 HKBAMN COc1ccc([N+](=O)[O-])cc1-c1nc(-c2ccc(Cl)cc2)[nH]c1-c1ccccc1 ZINC000005940560 568829983 /nfs/dbraw/zinc/82/99/83/568829983.db2.gz QLPSLOZRDGLSRO-UHFFFAOYSA-N 0 1 405.841 5.981 50 5 HKBAMN COc1ccc([N+](=O)[O-])cc1-c1nc(-c2ccc(SC)cc2)[nH]c1-c1ccccc1 ZINC000005940565 568830071 /nfs/dbraw/zinc/83/00/71/568830071.db2.gz AADBEOVPIYTSEY-UHFFFAOYSA-N 0 1 417.490 6.049 50 5 HKBAMN COc1ccc([N+](=O)[O-])cc1-c1nc(-c2cccc(Cl)c2)[nH]c1-c1ccccc1 ZINC000005940568 568830035 /nfs/dbraw/zinc/83/00/35/568830035.db2.gz ZSRHYFSYHCSJPU-UHFFFAOYSA-N 0 1 405.841 5.981 50 5 HKBAMN COc1cc(-c2nc(-c3ccc([N+](=O)[O-])cc3)c(-c3ccccc3)[nH]2)cc(OC)c1O ZINC000006294797 569038036 /nfs/dbraw/zinc/03/80/36/569038036.db2.gz FCOKMUVJXCHDHM-UHFFFAOYSA-N 0 1 417.421 5.042 50 5 HKBAMN CCN1CCc2c(sc3c2C(=O)N[C@H](c2c4ccccc4cc4ccccc42)N3)C1 ZINC000006654897 569082842 /nfs/dbraw/zinc/08/28/42/569082842.db2.gz ZNOLDCNFPHBRBR-QHCPKHFHSA-N 0 1 413.546 5.861 50 5 HKBAMN CCN1CCc2c(sc3c2C(=O)N[C@@H](c2c4ccccc4cc4ccccc42)N3)C1 ZINC000006654908 569082888 /nfs/dbraw/zinc/08/28/88/569082888.db2.gz ZNOLDCNFPHBRBR-HSZRJFAPSA-N 0 1 413.546 5.861 50 5 HKBAMN C[C@H](Sc1nc2ccc(Cl)cc2[nH]1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000008157399 568978806 /nfs/dbraw/zinc/97/88/06/568978806.db2.gz PLBUXAKUHLEBOP-VIFPVBQESA-N 0 1 401.835 5.028 50 5 HKBAMN C[C@@H](Sc1nc2ccc(Cl)cc2[nH]1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000008157400 568978768 /nfs/dbraw/zinc/97/87/68/568978768.db2.gz PLBUXAKUHLEBOP-SECBINFHSA-N 0 1 401.835 5.028 50 5 HKBAMN COc1ccc(-c2n[nH]c(SCc3cc(=O)oc4ccc5ccccc5c34)n2)cc1 ZINC000008487650 571055471 /nfs/dbraw/zinc/05/54/71/571055471.db2.gz PJUMIMVEWCHASN-UHFFFAOYSA-N 0 1 415.474 5.032 50 5 HKBAMN COc1ccc(-c2nc(-c3cc([N+](=O)[O-])ccc3C)c(-c3ccccc3)[nH]2)cc1OC ZINC000008580870 571082678 /nfs/dbraw/zinc/08/26/78/571082678.db2.gz GXTKJIKDRWVCSN-UHFFFAOYSA-N 0 1 415.449 5.645 50 5 HKBAMN O=[N+]([O-])c1ccc(-c2nc(-c3ccccc3)c(-c3ccc(-c4ccccc4)cc3)[nH]2)cc1 ZINC000008643163 571097729 /nfs/dbraw/zinc/09/77/29/571097729.db2.gz APFXWNMDUREETK-UHFFFAOYSA-N 0 1 417.468 6.986 50 5 HKBAMN O=[N+]([O-])c1cccc(-c2nc(-c3ccc(Br)cc3)c(-c3ccccc3)[nH]2)c1 ZINC000008990043 571206444 /nfs/dbraw/zinc/20/64/44/571206444.db2.gz BOCIXILCKZHEFU-UHFFFAOYSA-N 0 1 420.266 6.081 50 5 HKBAMN Cc1ccc([N+](=O)[O-])cc1-c1nc(-c2c(Cl)cccc2Cl)[nH]c1-c1ccccc1 ZINC000009110026 569391605 /nfs/dbraw/zinc/39/16/05/569391605.db2.gz WBLUVNIYNXCIER-UHFFFAOYSA-N 0 1 424.287 6.934 50 5 HKBAMN CC(=O)c1ccc(N2CCC(c3cc(-c4ccc(Cl)cc4)[nH]n3)CC2)c([N+](=O)[O-])c1 ZINC000013144204 569409936 /nfs/dbraw/zinc/40/99/36/569409936.db2.gz YDPMXZQJQYSRJX-UHFFFAOYSA-N 0 1 424.888 5.225 50 5 aggregator HKBAMN COc1ccc(-c2nc(-c3cc([N+](=O)[O-])ccc3C)c(-c3ccccc3)[nH]2)c(OC)c1 ZINC000013282026 569410394 /nfs/dbraw/zinc/41/03/94/569410394.db2.gz PIYQMXIGAYKMMP-UHFFFAOYSA-N 0 1 415.449 5.645 50 5 HKBAMN Cc1ccc2nc(-c3cc4c(ccc5cc(Br)ccc54)oc3=O)[nH]c2c1 ZINC000013286501 558529441 /nfs/dbraw/zinc/52/94/41/558529441.db2.gz XOAKKGIGXDWNCO-UHFFFAOYSA-N 0 1 405.251 5.560 50 5 HKBAMN Fc1ccccc1N1CCN(Cc2c3ccccc3c(Cl)c3ccccc32)CC1 ZINC000019633093 558947284 /nfs/dbraw/zinc/94/72/84/558947284.db2.gz NYZWYQDICIZPQD-UHFFFAOYSA-N 0 1 404.916 6.108 50 5 HKBAMN COc1cc(C(c2c[nH]c3ccccc32)c2c[nH]c3ccccc32)c(O)c([N+](=O)[O-])c1 ZINC000019849805 522182274 /nfs/dbraw/zinc/18/22/74/522182274.db2.gz MIVMIYZKEBSGQC-UHFFFAOYSA-N 0 1 413.433 5.452 50 5 HKBAMN CC(C)(C)c1cc2cc(-c3nc4cc([N+](=O)[O-])ccc4[nH]3)c(=O)oc2c(C(C)(C)C)c1 ZINC000020615290 568638120 /nfs/dbraw/zinc/63/81/20/568638120.db2.gz ARVAXKMRLGILGW-UHFFFAOYSA-N 0 1 419.481 5.840 50 5 HKBAMN CCC(C)(C)[C@@H]1CCc2c(sc3c2C(=O)N[C@H](c2cc(O)ccc2[N+](=O)[O-])N3)C1 ZINC000022635047 557269838 /nfs/dbraw/zinc/26/98/38/557269838.db2.gz PAXGCLVHXYMVGB-ZMZPIMSZSA-N 0 1 415.515 5.332 50 5 HKBAMN CCC(C)(C)[C@H]1CCc2c(sc3c2C(=O)N[C@H](c2cc(O)ccc2[N+](=O)[O-])N3)C1 ZINC000022635051 557269802 /nfs/dbraw/zinc/26/98/02/557269802.db2.gz PAXGCLVHXYMVGB-VOJFVSQTSA-N 0 1 415.515 5.332 50 5 HKBAMN CCC(C)(C)[C@@H]1CCc2c(sc3c2C(=O)N[C@@H](c2cc(O)ccc2[N+](=O)[O-])N3)C1 ZINC000022635057 557269815 /nfs/dbraw/zinc/26/98/15/557269815.db2.gz PAXGCLVHXYMVGB-ADLMAVQZSA-N 0 1 415.515 5.332 50 5 HKBAMN CCC(C)(C)[C@H]1CCc2c(sc3c2C(=O)N[C@@H](c2cc(O)ccc2[N+](=O)[O-])N3)C1 ZINC000022635063 557269868 /nfs/dbraw/zinc/26/98/68/557269868.db2.gz PAXGCLVHXYMVGB-BBATYDOGSA-N 0 1 415.515 5.332 50 5 HKBAMN C[C@@H](N[C@@H](C)c1ccc(Cl)c(Cl)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000023054921 558994490 /nfs/dbraw/zinc/99/44/90/558994490.db2.gz UUGQUGJNWVIDNO-VHSXEESVSA-N 0 1 416.692 5.233 50 5 HKBAMN C[C@H](N[C@@H](C)c1ccc(Cl)c(Cl)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000023054922 558994545 /nfs/dbraw/zinc/99/45/45/558994545.db2.gz UUGQUGJNWVIDNO-UWVGGRQHSA-N 0 1 416.692 5.233 50 5 HKBAMN C[C@@H](N[C@H](C)c1ccc(Cl)c(Cl)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000023054923 558994515 /nfs/dbraw/zinc/99/45/15/558994515.db2.gz UUGQUGJNWVIDNO-NXEZZACHSA-N 0 1 416.692 5.233 50 5 HKBAMN C[C@@H](N[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)c1ccc(Cl)c(Cl)c1 ZINC000023054924 558994488 /nfs/dbraw/zinc/99/44/88/558994488.db2.gz UUGQUGJNWVIDNO-ZJUUUORDSA-N 0 1 416.692 5.233 50 5 HKBAMN O=[N+]([O-])c1cccc([C@@H]2NC[C@@H](c3ccccc3Cl)c3c4ccccc4[nH]c32)c1 ZINC000025461359 568771696 /nfs/dbraw/zinc/77/16/96/568771696.db2.gz ACPCPACCJKAHCV-AVRDEDQJSA-N 0 1 403.869 5.554 50 5 HKBAMN O=[N+]([O-])c1cccc([C@@H]2NC[C@H](c3ccccc3Cl)c3c4ccccc4[nH]c32)c1 ZINC000025461367 568771720 /nfs/dbraw/zinc/77/17/20/568771720.db2.gz ACPCPACCJKAHCV-GCJKJVERSA-N 0 1 403.869 5.554 50 5 HKBAMN O=[N+]([O-])c1cccc([C@H]2NC[C@@H](c3ccccc3Cl)c3c4ccccc4[nH]c32)c1 ZINC000025461373 568771674 /nfs/dbraw/zinc/77/16/74/568771674.db2.gz ACPCPACCJKAHCV-PGRDOPGGSA-N 0 1 403.869 5.554 50 5 HKBAMN O=[N+]([O-])c1cccc([C@H]2NC[C@H](c3ccccc3Cl)c3c4ccccc4[nH]c32)c1 ZINC000025461379 568771702 /nfs/dbraw/zinc/77/17/02/568771702.db2.gz ACPCPACCJKAHCV-XMSQKQJNSA-N 0 1 403.869 5.554 50 5 HKBAMN O=c1c2cccc3c2c(c2ccc(O)cc12)c1cccc2c(=O)c4cc(O)ccc4c3c21 ZINC000025784154 558650059 /nfs/dbraw/zinc/65/00/59/558650059.db2.gz CGRSFQZBJXWSJK-UHFFFAOYSA-N 0 1 414.416 5.613 50 5 HKBAMN Cc1ccc2oc(-c3ccc(NC(=O)c4ccc(Cl)c([N+](=O)[O-])c4)cc3O)nc2c1 ZINC000027522726 569363004 /nfs/dbraw/zinc/36/30/04/569363004.db2.gz AAWKTSGAHYVSRI-UHFFFAOYSA-N 0 1 423.812 5.323 50 5 HKBAMN O=c1cc(CSc2nc(-c3ccc(Cl)cc3)n[nH]2)c2c(ccc3ccccc32)o1 ZINC000028869443 558706232 /nfs/dbraw/zinc/70/62/32/558706232.db2.gz ZSVFXGUZSYKNNI-UHFFFAOYSA-N 0 1 419.893 5.677 50 5 HKBAMN C[NH+](C)[C@@H]1C(c2ccccc2)=C(c2ccccc2)S[C@@H](c2ccccc2)[C@H]1[N+](=O)[O-] ZINC000035575623 569045233 /nfs/dbraw/zinc/04/52/33/569045233.db2.gz RGLABPZDKNDTTA-CUYJMHBOSA-N 0 1 416.546 5.619 50 5 HKBAMN C[NH+](C)[C@@H]1C(c2ccccc2)=C(c2ccccc2)S[C@@H](c2ccccc2)[C@@H]1[N+](=O)[O-] ZINC000035575630 569045223 /nfs/dbraw/zinc/04/52/23/569045223.db2.gz RGLABPZDKNDTTA-OYRHQHFDSA-N 0 1 416.546 5.619 50 5 HKBAMN CN1C/C(=C/c2ccccc2)C2=NN(c3ccc([N+](=O)[O-])cc3)[C@@H](c3ccccc3)[C@H]2C1 ZINC000051330417 560874981 /nfs/dbraw/zinc/87/49/81/560874981.db2.gz NHEVDTXSNBOERE-LRHFILFSSA-N 0 1 424.504 5.157 50 5 HKBAMN CN1C/C(=C/c2ccccc2)C2=NN(c3ccc([N+](=O)[O-])cc3)[C@@H](c3ccccc3)[C@@H]2C1 ZINC000051330427 560875048 /nfs/dbraw/zinc/87/50/48/560875048.db2.gz NHEVDTXSNBOERE-PVNZIPKOSA-N 0 1 424.504 5.157 50 5 HKBAMN O=C(Nc1cc([N+](=O)[O-])c(F)cc1F)c1nc(Cl)c(Cl)c(Cl)c1Cl ZINC000095947431 568664977 /nfs/dbraw/zinc/66/49/77/568664977.db2.gz DAVAQAZRIIYCTI-UHFFFAOYSA-N 0 1 416.982 5.134 50 5 HKBAMN Cc1cccc(Cn2cccc2CN(CCC(C)C)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000096299892 568722971 /nfs/dbraw/zinc/72/29/71/568722971.db2.gz YKXXVDHTBRTVGG-UHFFFAOYSA-N 0 1 405.542 5.801 50 5 HKBAMN COc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)CC(C)(C)C3)cc([N+](=O)[O-])c1O ZINC000100717274 559259681 /nfs/dbraw/zinc/25/96/81/559259681.db2.gz UTNBHTQHSDUNFB-FQEVSTJZSA-N 0 1 409.442 5.180 50 5 HKBAMN COc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)CC(C)(C)C3)cc([N+](=O)[O-])c1O ZINC000100717276 559259628 /nfs/dbraw/zinc/25/96/28/559259628.db2.gz UTNBHTQHSDUNFB-HXUWFJFHSA-N 0 1 409.442 5.180 50 5 HKBAMN C[N@@H+]1C/C(=C/c2ccccc2)C2=NN(c3ccc([N+](=O)[O-])cc3)[C@H](c3ccccc3)[C@@H]2C1 ZINC000105972915 560877978 /nfs/dbraw/zinc/87/79/78/560877978.db2.gz NHEVDTXSNBOERE-LDYMQWDOSA-N 0 1 424.504 5.157 50 5 HKBAMN CN1C/C(=C/c2ccccc2)C2=NN(c3ccc([N+](=O)[O-])cc3)[C@H](c3ccccc3)[C@@H]2C1 ZINC000105972915 560877980 /nfs/dbraw/zinc/87/79/80/560877980.db2.gz NHEVDTXSNBOERE-LDYMQWDOSA-N 0 1 424.504 5.157 50 5 HKBAMN CN1C/C(=C/c2ccccc2)C2=NN(c3ccc([N+](=O)[O-])cc3)[C@H](c3ccccc3)[C@H]2C1 ZINC000245256068 571220869 /nfs/dbraw/zinc/22/08/69/571220869.db2.gz NHEVDTXSNBOERE-ZYOVPZJFSA-N 0 1 424.504 5.157 50 5 HKBAMN