smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000009090412 132302616 /nfs/dbraw/zinc/30/26/16/132302616.db2.gz GRFNCMCJJARKOB-UNMCSNQZSA-N 0 3 434.540 4.342 50 5 IIBAHN Cc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)C3ON2c2cccc([N+](=O)[O-])c2)cc1 ZINC000137493155 568845464 /nfs/dbraw/zinc/84/54/64/568845464.db2.gz UEWFDSYOPMVXMZ-BHDDXSALSA-N 0 3 447.422 4.093 50 5 IIBAHN C[C@]12C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)C1ON(c1ccccc1)[C@@H]2c1ccccc1 ZINC000009272172 569294921 /nfs/dbraw/zinc/29/49/21/569294921.db2.gz UOSGPBIVRHWILZ-PQNGQFLHSA-N 0 3 429.432 4.036 50 5 IIBAHN Cc1ccnc(N2C(=O)c3oc4ccc(C)cc4c(=O)c3C2c2cccc([N+](=O)[O-])c2)c1 ZINC000009016010 569496754 /nfs/dbraw/zinc/49/67/54/569496754.db2.gz DFSSAJZMMZWLGA-NRFANRHFSA-N 0 3 427.416 4.463 50 5 IIBAHN CC(=O)N(CC(C)C)C[C@@H]1CN(Cc2ccccc2[N+](=O)[O-])C[C@H]1c1cccc(F)c1 ZINC000245328322 569503817 /nfs/dbraw/zinc/50/38/17/569503817.db2.gz NCEAVTNSZSCJEN-GMAHTHKFSA-N 0 3 427.520 4.454 50 5 IIBAHN O=C1C2ON(c3ccccc3)[C@H](c3ccccc3[N+](=O)[O-])[C@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000009234023 569513892 /nfs/dbraw/zinc/51/38/92/569513892.db2.gz ZVQDMUNZKRPRMG-NJDAHSKKSA-N 0 3 449.850 4.299 50 5 IIBAHN COc1cc(C(=O)NC[C@@H](c2cccc3ccccc32)N2CCCC2)c([N+](=O)[O-])cc1OC ZINC000010330576 569581036 /nfs/dbraw/zinc/58/10/36/569581036.db2.gz UWLICZNFTMFGSP-QFIPXVFZSA-N 0 3 449.507 4.332 50 5 IIBAHN O=C1C2ON(c3ccccc3)[C@@H](c3cccc(Cl)c3)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 ZINC000013751966 556724924 /nfs/dbraw/zinc/72/49/24/556724924.db2.gz CLIMOTQQSMRZOD-QHAWAJNXSA-N 0 3 449.850 4.299 50 5 IIBAHN Cc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)C3ON2c2cccc([N+](=O)[O-])c2)cc1 ZINC000017723622 557112424 /nfs/dbraw/zinc/11/24/24/557112424.db2.gz UEWFDSYOPMVXMZ-BDTNDASRSA-N 0 3 447.422 4.093 50 5 IIBAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccccc3[N+](=O)[O-])[C@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000018057650 557233972 /nfs/dbraw/zinc/23/39/72/557233972.db2.gz ZVQDMUNZKRPRMG-QHAWAJNXSA-N 0 3 449.850 4.299 50 5 IIBAHN CC(C)c1nnc(N2C(=O)c3oc4ccccc4c(=O)c3C2c2cccc([N+](=O)[O-])c2)s1 ZINC000001131386 568661587 /nfs/dbraw/zinc/66/15/87/568661587.db2.gz WMEYHKJCGAXQRH-KRWDZBQOSA-N 0 3 448.460 4.426 50 5 IIBAHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccccc4[N+](=O)[O-])[C@@H]3C2=O)c(C)c1 ZINC000229945681 556411759 /nfs/dbraw/zinc/41/17/59/556411759.db2.gz IVBAGKFXHHRVFK-YTFSRNRJSA-N 0 3 443.459 4.263 50 5 IIBAHN O=C1C2ON(c3ccccc3)[C@H](c3cccc([N+](=O)[O-])c3)[C@@H]2C(=O)N1c1ccccc1Cl ZINC000102710661 557364530 /nfs/dbraw/zinc/36/45/30/557364530.db2.gz ZQCIRMREFLSTAI-PWRODBHTSA-N 0 3 449.850 4.299 50 5 IIBAHN CCc1nnc(N2C(=O)c3oc4ccc(C)cc4c(=O)c3C2c2cccc([N+](=O)[O-])c2)s1 ZINC000002404319 569299999 /nfs/dbraw/zinc/29/99/99/569299999.db2.gz UHQUGKWKSXBEGR-GOSISDBHSA-N 0 3 448.460 4.173 50 5 IIBAHN COc1ccc(Br)cc1[C@H](CO)N[C@@H](C)[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000095451054 569367783 /nfs/dbraw/zinc/36/77/83/569367783.db2.gz NIPDUJUCBARQPZ-GLJUWKHASA-N 0 3 437.334 4.256 50 5 IIBAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccccc3[N+](=O)[O-])[C@@H]2C(=O)N1c1ccccc1Cl ZINC000227236877 569431910 /nfs/dbraw/zinc/43/19/10/569431910.db2.gz UEIHFDSZPPKBMU-PCCBWWKXSA-N 0 3 449.850 4.299 50 5 IIBAHN O=C1c2oc3ccccc3c(=O)c2C(c2cccc([N+](=O)[O-])c2)N1c1ccc(Cl)cn1 ZINC000009185529 569510132 /nfs/dbraw/zinc/51/01/32/569510132.db2.gz PRCPCZXBRYQAOC-LJQANCHMSA-N 0 3 433.807 4.499 50 5 IIBAHN CCOC(=O)c1c2c(sc1NC(=O)c1cccc([N+](=O)[O-])c1)C(C)(C)NC(C)(C)C2 ZINC000009509424 569542514 /nfs/dbraw/zinc/54/25/14/569542514.db2.gz CGXXRQWFRLIMRJ-UHFFFAOYSA-N 0 3 431.514 4.245 50 5 IIBAHN COc1ccc([C@H]2c3c(oc4c5ccccc5ccc4c3=O)C(=O)N2CCCN(C)C)cc1 ZINC000011614637 557210835 /nfs/dbraw/zinc/21/08/35/557210835.db2.gz URWVHLSSAWHSHB-QHCPKHFHSA-N 0 3 442.515 4.452 50 5 IIBAHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc([N+](=O)[O-])cc4)[C@H]3C2=O)c(C)c1 ZINC000102754408 557383942 /nfs/dbraw/zinc/38/39/42/557383942.db2.gz WKNBXXKEUJIMDM-XPWALMASSA-N 0 3 443.459 4.263 50 5 IIBAHN Cc1ccccc1N1OC2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@H]2[C@@H]1c1cccs1 ZINC000239377810 569138955 /nfs/dbraw/zinc/13/89/55/569138955.db2.gz OCTBGNLBMWPCNX-UFYCRDLUSA-N 0 3 435.461 4.016 50 5 IIBAHN Cc1ccc(C(=O)Nc2ccc(N3CCN(Cc4ccccc4)CC3)cc2)cc1[N+](=O)[O-] ZINC000055529273 569363577 /nfs/dbraw/zinc/36/35/77/569363577.db2.gz WBCRMRUTZWCLHI-UHFFFAOYSA-N 0 3 430.508 4.478 50 5 IIBAHN O=C1C2ON(c3ccccc3)[C@H](c3ccccc3[N+](=O)[O-])[C@H]2C(=O)N1c1cccc(Cl)c1 ZINC000009235318 569514093 /nfs/dbraw/zinc/51/40/93/569514093.db2.gz LCMWRHVBRKMAMK-NJDAHSKKSA-N 0 3 449.850 4.299 50 5 IIBAHN COc1cccc([C@H]2c3c(oc4c5ccccc5ccc4c3=O)C(=O)N2CCCN(C)C)c1 ZINC000011614645 557211295 /nfs/dbraw/zinc/21/12/95/557211295.db2.gz YJDYGACEJSONKO-QHCPKHFHSA-N 0 3 442.515 4.452 50 5 IIBAHN Cc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)C3ON2c2cccc([N+](=O)[O-])c2)cc1 ZINC000101092696 557249632 /nfs/dbraw/zinc/24/96/32/557249632.db2.gz UEWFDSYOPMVXMZ-VSKRKVRLSA-N 0 3 447.422 4.093 50 5 IIBAHN CCc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4cccc([N+](=O)[O-])c4)[C@@H]3C2=O)cc1 ZINC000102710976 557366944 /nfs/dbraw/zinc/36/69/44/557366944.db2.gz BAOOYJHBRZQXGB-YTFSRNRJSA-N 0 3 443.459 4.208 50 5 IIBAHN CN(C)Cc1cccc(NC(=O)C(C)(C)Nc2cc(Br)ccc2[N+](=O)[O-])c1 ZINC000242346850 569212264 /nfs/dbraw/zinc/21/22/64/569212264.db2.gz ZJQDXFPSPOEEMO-UHFFFAOYSA-N 0 3 435.322 4.248 50 5 IIBAHN Cc1c(C(=O)Nc2ccc(N3CCN(Cc4ccccc4)CC3)cc2)cccc1[N+](=O)[O-] ZINC000057547001 569439526 /nfs/dbraw/zinc/43/95/26/569439526.db2.gz AVYVZESLDWOPCD-UHFFFAOYSA-N 0 3 430.508 4.478 50 5 IIBAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc([N+](=O)[O-])cc3)[C@@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000229859591 569461931 /nfs/dbraw/zinc/46/19/31/569461931.db2.gz IPOJZKGPOKENFE-PWRODBHTSA-N 0 3 449.850 4.299 50 5 IIBAHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc([N+](=O)[O-])cc4)[C@H]3C2=O)c(C)c1 ZINC000245312617 569502898 /nfs/dbraw/zinc/50/28/98/569502898.db2.gz WKNBXXKEUJIMDM-DNVJHFABSA-N 0 3 443.459 4.263 50 5 IIBAHN CCc1ccc2oc3c(c(=O)c2c1)C(c1cccc([N+](=O)[O-])c1)N(c1cc(C)on1)C3=O ZINC000010233024 569579388 /nfs/dbraw/zinc/57/93/88/569579388.db2.gz TULCKWKWRCUXFT-FQEVSTJZSA-N 0 3 431.404 4.310 50 5 IIBAHN COc1cc(C(=O)NC[C@H](c2cccc3ccccc32)N2CCCC2)c([N+](=O)[O-])cc1OC ZINC000010330579 569581053 /nfs/dbraw/zinc/58/10/53/569581053.db2.gz UWLICZNFTMFGSP-JOCHJYFZSA-N 0 3 449.507 4.332 50 5 IIBAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(Cl)cc3)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 ZINC000013646132 556705477 /nfs/dbraw/zinc/70/54/77/556705477.db2.gz USSFWXSVRRDCIU-NJDAHSKKSA-N 0 3 449.850 4.299 50 5 IIBAHN CC[NH+](CC)CCSc1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1[N+](=O)[O-] ZINC000072301757 557223845 /nfs/dbraw/zinc/22/38/45/557223845.db2.gz HHZYVZVNIHCEDZ-UHFFFAOYSA-N 0 3 443.978 4.483 50 5 IIBAHN CCc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4cccc([N+](=O)[O-])c4)[C@H]3C2=O)cc1 ZINC000102710978 557367608 /nfs/dbraw/zinc/36/76/08/557367608.db2.gz BAOOYJHBRZQXGB-DNVJHFABSA-N 0 3 443.459 4.208 50 5 IIBAHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccccc4[N+](=O)[O-])[C@H]3C2=O)c(C)c1 ZINC000102766007 557381321 /nfs/dbraw/zinc/38/13/21/557381321.db2.gz IVBAGKFXHHRVFK-XPWALMASSA-N 0 3 443.459 4.263 50 5 IIBAHN O=C1C2ON(c3cccc([N+](=O)[O-])c3)[C@H](c3ccccc3Cl)[C@H]2C(=O)N1c1ccccc1 ZINC000102750489 557382867 /nfs/dbraw/zinc/38/28/67/557382867.db2.gz KFNBYDOZONUQFI-NJDAHSKKSA-N 0 3 449.850 4.299 50 5 IIBAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(Cl)cc3)[C@@H]2C(=O)N1c1ccccc1[N+](=O)[O-] ZINC000137793062 568892869 /nfs/dbraw/zinc/89/28/69/568892869.db2.gz ARBNQJAWRMSWEV-PCCBWWKXSA-N 0 3 449.850 4.299 50 5 IIBAHN O=C1C2ON(c3ccccc3)[C@H](c3cc([N+](=O)[O-])ccc3Cl)[C@@H]2C(=O)N1c1ccccc1 ZINC000137918990 568897238 /nfs/dbraw/zinc/89/72/38/568897238.db2.gz XXNWPIAJAWISGN-PWRODBHTSA-N 0 3 449.850 4.299 50 5 IIBAHN O=C1C2ON(c3cccc([N+](=O)[O-])c3)[C@H](c3ccccc3)[C@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000245255287 569501405 /nfs/dbraw/zinc/50/14/05/569501405.db2.gz HBXSYPXOUMPLMU-NJDAHSKKSA-N 0 3 449.850 4.299 50 5 IIBAHN Cc1cc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3C2c2cccc([N+](=O)[O-])c2)no1 ZINC000009159817 569508654 /nfs/dbraw/zinc/50/86/54/569508654.db2.gz FFFRFYPKCIYMLL-GOSISDBHSA-N 0 3 437.795 4.401 50 5 IIBAHN COc1cccc([C@H]2CN(Cc3ccc([N+](=O)[O-])cc3)C[C@H]2CN(CC(C)C)C(C)=O)c1 ZINC000034740274 555883275 /nfs/dbraw/zinc/88/32/75/555883275.db2.gz XJDZFVMVURPDTA-WIOPSUGQSA-N 0 3 439.556 4.324 50 5 IIBAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc([N+](=O)[O-])cc3)[C@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000013514182 556667066 /nfs/dbraw/zinc/66/70/66/556667066.db2.gz IPOJZKGPOKENFE-QHAWAJNXSA-N 0 3 449.850 4.299 50 5 IIBAHN O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)c3c(O)n(-c4ccccc4Cl)c(O)c23)cc1 ZINC000018117736 557238255 /nfs/dbraw/zinc/23/82/55/557238255.db2.gz ALTKAENICPQOPG-FPOVZHCZSA-N 0 3 446.850 4.031 50 5 IIBAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccccc3[N+](=O)[O-])[C@@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000102759319 557384087 /nfs/dbraw/zinc/38/40/87/557384087.db2.gz ZVQDMUNZKRPRMG-PCCBWWKXSA-N 0 3 449.850 4.299 50 5 IIBAHN COc1cccc([C@@H]2CN(Cc3ccc([N+](=O)[O-])cc3)C[C@H]2CN(CC(C)C)C(C)=O)c1 ZINC000253389956 569264237 /nfs/dbraw/zinc/26/42/37/569264237.db2.gz XJDZFVMVURPDTA-DHLKQENFSA-N 0 3 439.556 4.324 50 5 IIBAHN O=C(C[C@@H](c1c[nH]c2ccc([N+](=O)[O-])cc21)c1ccc(Cl)cc1)NCCN1CCCC1 ZINC000096278095 569388940 /nfs/dbraw/zinc/38/89/40/569388940.db2.gz ZWRLCIGHRMNCKZ-LJQANCHMSA-N 0 3 440.931 4.464 50 5 IIBAHN Cc1cc(N2C(=O)c3oc4cc(C)c(C)cc4c(=O)c3C2c2cccc([N+](=O)[O-])c2)no1 ZINC000009320816 569522624 /nfs/dbraw/zinc/52/26/24/569522624.db2.gz SQJNLRTWDYCYPM-HXUWFJFHSA-N 0 3 431.404 4.364 50 5 IIBAHN O=C(c1ccc2c3nc4ccccc4n3c(=S)[nH]c2c1)N1CCN(C2CCCCC2)CC1 ZINC000020643557 526730815 /nfs/dbraw/zinc/73/08/15/526730815.db2.gz DGHVSYQPLUYIEC-UHFFFAOYSA-N 0 3 445.592 4.415 50 5 IIBAHN CCc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)C3ON2c2ccccc2)cc1 ZINC000102735683 557373348 /nfs/dbraw/zinc/37/33/48/557373348.db2.gz KQUUKWFYSLEOIV-DNVJHFABSA-N 0 3 443.459 4.208 50 5 IIBAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(Cl)c([N+](=O)[O-])c3)[C@@H]2C(=O)N1c1ccccc1 ZINC000102763619 557380954 /nfs/dbraw/zinc/38/09/54/557380954.db2.gz QZSZKPFFTURYGA-PWRODBHTSA-N 0 3 449.850 4.299 50 5 IIBAHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc([N+](=O)[O-])cc4)[C@@H]3C2=O)c(C)c1 ZINC000102754402 557383800 /nfs/dbraw/zinc/38/38/00/557383800.db2.gz WKNBXXKEUJIMDM-RJGXRXQPSA-N 0 3 443.459 4.263 50 5 IIBAHN O=C(Nc1nc2ccccc2n1CCN1CCCCC1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000001002562 568650738 /nfs/dbraw/zinc/65/07/38/568650738.db2.gz ZNEAWCMBDJWOBE-UHFFFAOYSA-N 0 3 427.892 4.336 50 5 IIBAHN O=C1C2ON(c3cccc([N+](=O)[O-])c3)[C@@H](c3ccccc3Cl)[C@H]2C(=O)N1c1ccccc1 ZINC000137753640 568886287 /nfs/dbraw/zinc/88/62/87/568886287.db2.gz KFNBYDOZONUQFI-QHAWAJNXSA-N 0 3 449.850 4.299 50 5 IIBAHN CCN(CC)CCN(C(=O)c1ccc([N+](=O)[O-])cc1)c1nc2c(cccc2OC)s1 ZINC000012140856 520638993 /nfs/dbraw/zinc/63/89/93/520638993.db2.gz WWDLOOAJJUTCME-UHFFFAOYSA-N 0 3 428.514 4.202 50 5 IIBAHN CCN(CC)CCN(C(=O)c1cccc([N+](=O)[O-])c1)c1nc2c(cccc2OC)s1 ZINC000012140857 520639787 /nfs/dbraw/zinc/63/97/87/520639787.db2.gz NHCOJIAHDXAPSJ-UHFFFAOYSA-N 0 3 428.514 4.202 50 5 IIBAHN Cc1nn(Cc2ccc(C(=O)Nc3ccc(CN4CCCCC4)cc3)o2)c(C)c1[N+](=O)[O-] ZINC000008455210 556185264 /nfs/dbraw/zinc/18/52/64/556185264.db2.gz OQHPJXRHFPHUHP-UHFFFAOYSA-N 0 3 437.500 4.288 50 5 IIBAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(Cl)cc3)[C@@H]2C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000102719792 557375668 /nfs/dbraw/zinc/37/56/68/557375668.db2.gz ZFFMMHDTLNTBLD-PWRODBHTSA-N 0 3 449.850 4.299 50 5 IIBAHN C[C@]12C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)C1ON(c1ccccc1)[C@H]2c1ccccc1 ZINC000009301284 569295093 /nfs/dbraw/zinc/29/50/93/569295093.db2.gz UOSGPBIVRHWILZ-YZUZCNPQSA-N 0 3 429.432 4.036 50 5 IIBAHN COc1ccc(Br)cc1[C@H](CO)N[C@H](C)[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000095451051 569367745 /nfs/dbraw/zinc/36/77/45/569367745.db2.gz NIPDUJUCBARQPZ-IYOUNJFTSA-N 0 3 437.334 4.256 50 5 IIBAHN Cc1cc(N2C(=O)c3oc4cc(C)c(C)cc4c(=O)c3C2c2cccc([N+](=O)[O-])c2)no1 ZINC000009320813 569522650 /nfs/dbraw/zinc/52/26/50/569522650.db2.gz SQJNLRTWDYCYPM-FQEVSTJZSA-N 0 3 431.404 4.364 50 5 IIBAHN O=C1C2ON(c3ccccc3)[C@H](c3cccc(Cl)c3)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 ZINC000013751964 556724554 /nfs/dbraw/zinc/72/45/54/556724554.db2.gz CLIMOTQQSMRZOD-NJDAHSKKSA-N 0 3 449.850 4.299 50 5 IIBAHN COc1ccccc1[C@@H]1c2c(oc3c4ccccc4ccc3c2=O)C(=O)N1CCCN(C)C ZINC000011614640 557211211 /nfs/dbraw/zinc/21/12/11/557211211.db2.gz PHFJUQDQKRMZFW-HSZRJFAPSA-N 0 3 442.515 4.452 50 5 IIBAHN O=C1[C@@H]2C(=C([O-])N1c1ccc([N+](=O)[O-])cc1)ON(c1ccccc1)[C@@H]2c1ccccc1Cl ZINC000102736762 557371828 /nfs/dbraw/zinc/37/18/28/557371828.db2.gz ZZNCQVJBBNCZSD-PWRODBHTSA-N 0 3 449.850 4.299 50 5 IIBAHN O=C1C2ON(c3ccccc3)[C@H](c3ccccc3Cl)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 ZINC000102736762 557371830 /nfs/dbraw/zinc/37/18/30/557371830.db2.gz ZZNCQVJBBNCZSD-PWRODBHTSA-N 0 3 449.850 4.299 50 5 IIBAHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2C(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000252508737 569188520 /nfs/dbraw/zinc/18/85/20/569188520.db2.gz XSBCQNRQRXEJMI-QAPCUYQASA-N 0 3 430.302 4.114 50 5 IIBAHN Cc1ccc([N-]S(=O)(=O)c2ccc(NC[C@H]3CC[N@@H+](C(C)C)C3)c([N+](=O)[O-])c2)c(C)c1 ZINC000058161595 569449155 /nfs/dbraw/zinc/44/91/55/569449155.db2.gz IQZRWQBIZVVSEL-GOSISDBHSA-N 0 3 446.573 4.155 50 5 IIBAHN Cc1ccc([N-]S(=O)(=O)c2ccc(NC[C@H]3CC[N@H+](C(C)C)C3)c([N+](=O)[O-])c2)c(C)c1 ZINC000058161595 569449156 /nfs/dbraw/zinc/44/91/56/569449156.db2.gz IQZRWQBIZVVSEL-GOSISDBHSA-N 0 3 446.573 4.155 50 5 IIBAHN O=C1C2ON(c3ccccc3)[C@H](c3cccc([N+](=O)[O-])c3)[C@@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000229898808 556404800 /nfs/dbraw/zinc/40/48/00/556404800.db2.gz OCOMGUVWMJYQJY-PWRODBHTSA-N 0 3 449.850 4.299 50 5 IIBAHN Cc1ccccc1N1OC2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@@H]1c1cccs1 ZINC000136495414 556807862 /nfs/dbraw/zinc/80/78/62/556807862.db2.gz OCTBGNLBMWPCNX-AABGKKOBSA-N 0 3 435.461 4.016 50 5 IIBAHN CC[NH+]1CCC(CNc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3C)cc2[N+](=O)[O-])CC1 ZINC000048311518 557061024 /nfs/dbraw/zinc/06/10/24/557061024.db2.gz HCMSXMOYNNHYRD-UHFFFAOYSA-N 0 3 446.573 4.156 50 5 IIBAHN Cc1ccccc1N1OC2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]1c1cccs1 ZINC000101880189 557304682 /nfs/dbraw/zinc/30/46/82/557304682.db2.gz OCTBGNLBMWPCNX-AQNXPRMDSA-N 0 3 435.461 4.016 50 5 IIBAHN COc1cccc([C@H]2CN(Cc3ccc([N+](=O)[O-])cc3)C[C@@H]2CN(CC(C)C)C(C)=O)c1 ZINC000034740275 568737784 /nfs/dbraw/zinc/73/77/84/568737784.db2.gz XJDZFVMVURPDTA-RCZVLFRGSA-N 0 3 439.556 4.324 50 5 IIBAHN O=C1C2ON(c3cccc([N+](=O)[O-])c3)[C@@H](c3ccccc3Cl)[C@@H]2C(=O)N1c1ccccc1 ZINC000227243677 569431938 /nfs/dbraw/zinc/43/19/38/569431938.db2.gz KFNBYDOZONUQFI-PCCBWWKXSA-N 0 3 449.850 4.299 50 5 IIBAHN CN(C)CCCNc1nn2c(=O)c3c(-c4ccccc4)csc3nc2c2ccccc21 ZINC000003267674 555911259 /nfs/dbraw/zinc/91/12/59/555911259.db2.gz WMLXAAYJKMWAJB-UHFFFAOYSA-N 0 3 429.549 4.488 50 5 IIBAHN O=C1C2ON(c3ccccc3)[C@H](c3ccccc3[N+](=O)[O-])[C@@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000229889021 556339041 /nfs/dbraw/zinc/33/90/41/556339041.db2.gz ZVQDMUNZKRPRMG-PWRODBHTSA-N 0 3 449.850 4.299 50 5 IIBAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccccc3Cl)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 ZINC000013757839 556727694 /nfs/dbraw/zinc/72/76/94/556727694.db2.gz ZZNCQVJBBNCZSD-QHAWAJNXSA-N 0 3 449.850 4.299 50 5 IIBAHN CCN(CC)CCN(C(=O)c1cccc([N+](=O)[O-])c1)c1nc2ccc(OC)cc2s1 ZINC000009604223 562974038 /nfs/dbraw/zinc/97/40/38/562974038.db2.gz BCTNJRQRGQEFHO-UHFFFAOYSA-N 0 3 428.514 4.202 50 5 IIBAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(Cl)cc3)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 ZINC000137330978 568819456 /nfs/dbraw/zinc/81/94/56/568819456.db2.gz USSFWXSVRRDCIU-PCCBWWKXSA-N 0 3 449.850 4.299 50 5 IIBAHN CCc1nnc(N2C(=O)c3oc4ccc(C)cc4c(=O)c3C2c2cccc([N+](=O)[O-])c2)s1 ZINC000002404318 569300005 /nfs/dbraw/zinc/30/00/05/569300005.db2.gz UHQUGKWKSXBEGR-SFHVURJKSA-N 0 3 448.460 4.173 50 5 IIBAHN O=C1C2ON(c3ccccc3)[C@H](c3cccc([N+](=O)[O-])c3)[C@H]2C(=O)N1c1ccccc1Cl ZINC000009088397 569500833 /nfs/dbraw/zinc/50/08/33/569500833.db2.gz ZQCIRMREFLSTAI-NJDAHSKKSA-N 0 3 449.850 4.299 50 5 IIBAHN O=C1C2ON(c3ccccc3)[C@H](c3ccccc3Cl)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 ZINC000013757837 556727764 /nfs/dbraw/zinc/72/77/64/556727764.db2.gz ZZNCQVJBBNCZSD-NJDAHSKKSA-N 0 3 449.850 4.299 50 5 IIBAHN COc1cccc([C@@H]2c3c(oc4c5ccccc5ccc4c3=O)C(=O)N2CCCN(C)C)c1 ZINC000011614646 557211078 /nfs/dbraw/zinc/21/10/78/557211078.db2.gz YJDYGACEJSONKO-HSZRJFAPSA-N 0 3 442.515 4.452 50 5 IIBAHN O=C1C2ON(c3ccccc3)[C@H](c3cccc([N+](=O)[O-])c3)[C@@H]2C(=O)N1c1cccc(Cl)c1 ZINC000102710439 557363858 /nfs/dbraw/zinc/36/38/58/557363858.db2.gz NFJLOKYKERBPCB-PWRODBHTSA-N 0 3 449.850 4.299 50 5 IIBAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccccc3[N+](=O)[O-])[C@@H]2C(=O)N1c1cccc(Cl)c1 ZINC000102759730 557384321 /nfs/dbraw/zinc/38/43/21/557384321.db2.gz LCMWRHVBRKMAMK-PCCBWWKXSA-N 0 3 449.850 4.299 50 5 IIBAHN Cc1ccccc1N1OC2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@H]2[C@@H]1c1ccc(F)cc1 ZINC000238900291 569137758 /nfs/dbraw/zinc/13/77/58/569137758.db2.gz IOVYATFMQVVEGT-FKBYEOEOSA-N 0 3 447.422 4.093 50 5 IIBAHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4cccc([N+](=O)[O-])c4)[C@@H]3C2=O)c(C)c1 ZINC000230013242 569417430 /nfs/dbraw/zinc/41/74/30/569417430.db2.gz PKIPREABKFBABA-YTFSRNRJSA-N 0 3 443.459 4.263 50 5 IIBAHN Cc1cccc(N2C(=O)c3oc4ccc(F)cc4c(=O)c3C2c2cccc([N+](=O)[O-])c2)n1 ZINC000008846021 569479016 /nfs/dbraw/zinc/47/90/16/569479016.db2.gz AXRSFCRNXGMXOK-FQEVSTJZSA-N 0 3 431.379 4.294 50 5 IIBAHN Cc1ccnc(N2C(=O)c3oc4ccc(C)cc4c(=O)c3C2c2cccc([N+](=O)[O-])c2)c1 ZINC000009016009 569496800 /nfs/dbraw/zinc/49/68/00/569496800.db2.gz DFSSAJZMMZWLGA-OAQYLSRUSA-N 0 3 427.416 4.463 50 5 IIBAHN Cc1ccnc(N2C(=O)c3oc4ccc(F)cc4c(=O)c3C2c2cccc([N+](=O)[O-])c2)c1 ZINC000009209802 569511578 /nfs/dbraw/zinc/51/15/78/569511578.db2.gz DSTWPPIUPOZLAE-FQEVSTJZSA-N 0 3 431.379 4.294 50 5 IIBAHN CCN(CC)[C@H](CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1ccccc1 ZINC000012523543 520862744 /nfs/dbraw/zinc/86/27/44/520862744.db2.gz YCVMRZAUJLTOKQ-RUZDIDTESA-N 0 3 427.548 4.354 50 5 IIBAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(Cl)cc3)[C@H]2C(=O)N1c1ccccc1[N+](=O)[O-] ZINC000013749026 556724515 /nfs/dbraw/zinc/72/45/15/556724515.db2.gz ARBNQJAWRMSWEV-QHAWAJNXSA-N 0 3 449.850 4.299 50 5 IIBAHN COc1cccc([C@@H]2CN(Cc3ccc([N+](=O)[O-])cc3)C[C@@H]2CN(CC(C)C)C(C)=O)c1 ZINC000106610968 557530384 /nfs/dbraw/zinc/53/03/84/557530384.db2.gz XJDZFVMVURPDTA-RDGATRHJSA-N 0 3 439.556 4.324 50 5 IIBAHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000239306292 569138822 /nfs/dbraw/zinc/13/88/22/569138822.db2.gz GRFNCMCJJARKOB-IFMALSPDSA-N 0 3 434.540 4.342 50 5 IIBAHN O=C(COc1ccc2c(c1)oc(=O)c1ccccc21)NC1CCN(Cc2ccccc2)CC1 ZINC000008994230 569495503 /nfs/dbraw/zinc/49/55/03/569495503.db2.gz CZHOFCOJPZRAES-UHFFFAOYSA-N 0 3 442.515 4.106 50 5 IIBAHN O=C1C2ON(c3cccc([N+](=O)[O-])c3)[C@H](c3ccccc3)[C@@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000245255288 569501372 /nfs/dbraw/zinc/50/13/72/569501372.db2.gz HBXSYPXOUMPLMU-PWRODBHTSA-N 0 3 449.850 4.299 50 5 IIBAHN CCN(CC)[C@@H](CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1ccccc1 ZINC000012523542 520831482 /nfs/dbraw/zinc/83/14/82/520831482.db2.gz YCVMRZAUJLTOKQ-VWLOTQADSA-N 0 3 427.548 4.354 50 5 IIBAHN O=C1C2ON(c3ccccc3)[C@H](c3ccccc3[N+](=O)[O-])[C@@H]2C(=O)N1c1ccccc1Cl ZINC000229952541 556412851 /nfs/dbraw/zinc/41/28/51/556412851.db2.gz UEIHFDSZPPKBMU-PWRODBHTSA-N 0 3 449.850 4.299 50 5 IIBAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(Cl)c([N+](=O)[O-])c3)[C@H]2C(=O)N1c1ccccc1 ZINC000013807388 556743542 /nfs/dbraw/zinc/74/35/42/556743542.db2.gz QZSZKPFFTURYGA-NJDAHSKKSA-N 0 3 449.850 4.299 50 5 IIBAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccccc3[N+](=O)[O-])[C@H]2C(=O)N1c1cccc(Cl)c1 ZINC000018057962 557233903 /nfs/dbraw/zinc/23/39/03/557233903.db2.gz LCMWRHVBRKMAMK-QHAWAJNXSA-N 0 3 449.850 4.299 50 5 IIBAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(Cl)cc3)[C@H]2C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000018053888 557233987 /nfs/dbraw/zinc/23/39/87/557233987.db2.gz ZFFMMHDTLNTBLD-NJDAHSKKSA-N 0 3 449.850 4.299 50 5 IIBAHN O=C1C2ON(c3ccccc3)[C@@H](c3cccc(Cl)c3)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 ZINC000137802080 568893216 /nfs/dbraw/zinc/89/32/16/568893216.db2.gz CLIMOTQQSMRZOD-PCCBWWKXSA-N 0 3 449.850 4.299 50 5 IIBAHN Cc1ccc(Nc2ccc(S(=O)(=O)NCCN(C(C)C)C(C)C)cc2[N+](=O)[O-])cc1 ZINC000013037998 569307716 /nfs/dbraw/zinc/30/77/16/569307716.db2.gz SZNUKMHIFCDJLH-UHFFFAOYSA-N 0 3 434.562 4.044 50 5 IIBAHN Cc1cccc(N2C(=O)c3oc4ccc(F)cc4c(=O)c3C2c2cccc([N+](=O)[O-])c2)n1 ZINC000008846020 569479012 /nfs/dbraw/zinc/47/90/12/569479012.db2.gz AXRSFCRNXGMXOK-HXUWFJFHSA-N 0 3 431.379 4.294 50 5 IIBAHN Cc1cc(C(=O)Nc2ccc(N3CCN(Cc4ccccc4)CC3)cc2)ccc1[N+](=O)[O-] ZINC000001117296 524168245 /nfs/dbraw/zinc/16/82/45/524168245.db2.gz AYWPKLLILXWLKM-UHFFFAOYSA-N 0 3 430.508 4.478 50 5 IIBAHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc([N+](=O)[O-])cc4)[C@@H]3C2=O)c(C)c1 ZINC000229879717 556334946 /nfs/dbraw/zinc/33/49/46/556334946.db2.gz WKNBXXKEUJIMDM-YTFSRNRJSA-N 0 3 443.459 4.263 50 5 IIBAHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4cccc([N+](=O)[O-])c4)[C@H]3C2=O)c(C)c1 ZINC000102711035 557373768 /nfs/dbraw/zinc/37/37/68/557373768.db2.gz PKIPREABKFBABA-XPWALMASSA-N 0 3 443.459 4.263 50 5 IIBAHN Cc1cc2oc3c(c(=O)c2cc1C)C(c1cccc([N+](=O)[O-])c1)N(c1ccccn1)C3=O ZINC000001118386 568659527 /nfs/dbraw/zinc/65/95/27/568659527.db2.gz SXKNZUJGRVFLOF-OAQYLSRUSA-N 0 3 427.416 4.463 50 5 IIBAHN Cc1ccccc1N1OC2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]1c1ccc(F)cc1 ZINC000238900292 569137735 /nfs/dbraw/zinc/13/77/35/569137735.db2.gz IOVYATFMQVVEGT-VSKRKVRLSA-N 0 3 447.422 4.093 50 5 IIBAHN Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000245327397 569503368 /nfs/dbraw/zinc/50/33/68/569503368.db2.gz PKIPREABKFBABA-DNVJHFABSA-N 0 3 443.459 4.263 50 5 IIBAHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4cccc([N+](=O)[O-])c4)[C@H]3C2=O)c(C)c1 ZINC000245327397 569503369 /nfs/dbraw/zinc/50/33/69/569503369.db2.gz PKIPREABKFBABA-DNVJHFABSA-N 0 3 443.459 4.263 50 5 IIBAHN O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@@H](c2ccccc2)C([N+](=O)[O-])[C@H]2C=Cc3ccccc3N21 ZINC000009465534 569537983 /nfs/dbraw/zinc/53/79/83/569537983.db2.gz QTTJYWUJBQKXDZ-QPXUXIHVSA-N 0 3 441.443 4.491 50 5 IIBAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(Cl)c([N+](=O)[O-])c3)[C@@H]2C(=O)N1c1ccccc1 ZINC000136049525 556683865 /nfs/dbraw/zinc/68/38/65/556683865.db2.gz QZSZKPFFTURYGA-PCCBWWKXSA-N 0 3 449.850 4.299 50 5 IIBAHN O=C1[C@H]2C(=C([O-])N1c1ccc(Cl)cc1)ON(c1cccc([N+](=O)[O-])c1)[C@H]2c1ccccc1 ZINC000102726269 557370032 /nfs/dbraw/zinc/37/00/32/557370032.db2.gz HBXSYPXOUMPLMU-QHAWAJNXSA-N 0 3 449.850 4.299 50 5 IIBAHN O=C1C2ON(c3cccc([N+](=O)[O-])c3)[C@@H](c3ccccc3)[C@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000102726269 557370033 /nfs/dbraw/zinc/37/00/33/557370033.db2.gz HBXSYPXOUMPLMU-QHAWAJNXSA-N 0 3 449.850 4.299 50 5 IIBAHN Cc1ccc(F)c([C@H](CC(=O)NCCN2CCCC2)c2c[nH]c3ccc([N+](=O)[O-])cc32)c1 ZINC000107076750 557534538 /nfs/dbraw/zinc/53/45/38/557534538.db2.gz RCTHNLGZTMNRMJ-SFHVURJKSA-N 0 3 438.503 4.258 50 5 IIBAHN CC(=O)N(CC(C)C)C[C@@H]1CN(Cc2ccccc2[N+](=O)[O-])C[C@@H]1c1cccc(F)c1 ZINC000034740448 568737766 /nfs/dbraw/zinc/73/77/66/568737766.db2.gz NCEAVTNSZSCJEN-JTHBVZDNSA-N 0 3 427.520 4.454 50 5 IIBAHN O=C1C2ON(c3ccccc3)[C@H](c3cccc(Cl)c3)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 ZINC000137801978 568893135 /nfs/dbraw/zinc/89/31/35/568893135.db2.gz CLIMOTQQSMRZOD-PWRODBHTSA-N 0 3 449.850 4.299 50 5 IIBAHN O=C1C2ON(c3ccccc3)[C@@H](c3cccc([N+](=O)[O-])c3)[C@@H]2C(=O)N1c1cccc(Cl)c1 ZINC000226975383 569430529 /nfs/dbraw/zinc/43/05/29/569430529.db2.gz NFJLOKYKERBPCB-PCCBWWKXSA-N 0 3 449.850 4.299 50 5 IIBAHN Cc1ccnc(N2C(=O)c3oc4ccc(F)cc4c(=O)c3C2c2cccc([N+](=O)[O-])c2)c1 ZINC000009209801 569511581 /nfs/dbraw/zinc/51/15/81/569511581.db2.gz DSTWPPIUPOZLAE-HXUWFJFHSA-N 0 3 431.379 4.294 50 5 IIBAHN O=C(C[C@H](c1c[nH]c2ccc(Cl)cc21)c1cccc([N+](=O)[O-])c1)NCCN1CCCC1 ZINC000096274850 569388198 /nfs/dbraw/zinc/38/81/98/569388198.db2.gz KKKMIUILDQYRCZ-IBGZPJMESA-N 0 3 440.931 4.464 50 5 IIBAHN Cc1cc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3C2c2cccc([N+](=O)[O-])c2)no1 ZINC000009159818 569508697 /nfs/dbraw/zinc/50/86/97/569508697.db2.gz FFFRFYPKCIYMLL-SFHVURJKSA-N 0 3 437.795 4.401 50 5 IIBAHN O=C1C2ON(c3ccccc3)[C@H](c3cc([N+](=O)[O-])ccc3Cl)[C@H]2C(=O)N1c1ccccc1 ZINC000013805383 556741445 /nfs/dbraw/zinc/74/14/45/556741445.db2.gz XXNWPIAJAWISGN-NJDAHSKKSA-N 0 3 449.850 4.299 50 5 IIBAHN O=C1C2ON(c3cccc([N+](=O)[O-])c3)[C@H](c3ccccc3Cl)[C@@H]2C(=O)N1c1ccccc1 ZINC000102750487 557382886 /nfs/dbraw/zinc/38/28/86/557382886.db2.gz KFNBYDOZONUQFI-PWRODBHTSA-N 0 3 449.850 4.299 50 5 IIBAHN COc1cccc([C@H]2CN(Cc3ccccc3[N+](=O)[O-])C[C@H]2CN(CC(C)C)C(C)=O)c1 ZINC000034740276 568737755 /nfs/dbraw/zinc/73/77/55/568737755.db2.gz CNLJHQDOHPCXDM-LADGPHEKSA-N 0 3 439.556 4.324 50 5 IIBAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(Cl)cc3)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 ZINC000137330912 568819423 /nfs/dbraw/zinc/81/94/23/568819423.db2.gz USSFWXSVRRDCIU-PWRODBHTSA-N 0 3 449.850 4.299 50 5 IIBAHN O=C1C2ON(c3ccccc3)[C@@H](c3cccc([N+](=O)[O-])c3)[C@@H]2C(=O)N1c1ccccc1Cl ZINC000226978871 569430473 /nfs/dbraw/zinc/43/04/73/569430473.db2.gz ZQCIRMREFLSTAI-PCCBWWKXSA-N 0 3 449.850 4.299 50 5 IIBAHN CCN(CC)CCN(C(=O)c1cccc([N+](=O)[O-])c1)c1nc2cc(OC)ccc2s1 ZINC000012140889 520638296 /nfs/dbraw/zinc/63/82/96/520638296.db2.gz LZBXOIZIMCNBKN-UHFFFAOYSA-N 0 3 428.514 4.202 50 5 IIBAHN C[C@]12C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)C1ON(c1ccccc1)[C@@H]2c1ccccc1 ZINC000013582447 556699319 /nfs/dbraw/zinc/69/93/19/556699319.db2.gz UOSGPBIVRHWILZ-ZFGGDYGUSA-N 0 3 429.432 4.036 50 5 IIBAHN Cc1ccccc1N1OC2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@@H]1c1ccc(F)cc1 ZINC000136522108 556816025 /nfs/dbraw/zinc/81/60/25/556816025.db2.gz IOVYATFMQVVEGT-FSSWDIPSSA-N 0 3 447.422 4.093 50 5 IIBAHN COc1ccccc1[C@H]1c2c(oc3c4ccccc4ccc3c2=O)C(=O)N1CCCN(C)C ZINC000011614639 557211288 /nfs/dbraw/zinc/21/12/88/557211288.db2.gz PHFJUQDQKRMZFW-QHCPKHFHSA-N 0 3 442.515 4.452 50 5 IIBAHN Cc1ccc(-c2csc3nc4c5ccccc5c(NCCN(C)C)nn4c(=O)c23)cc1 ZINC000003350328 568746682 /nfs/dbraw/zinc/74/66/82/568746682.db2.gz HMRJSTFAQVVLLZ-UHFFFAOYSA-N 0 3 429.549 4.406 50 5 IIBAHN O=C1C2ON(c3ccccc3)[C@@H](c3cccc([N+](=O)[O-])c3)[C@H]2C(=O)N1c1ccccc1Cl ZINC000013686545 556710476 /nfs/dbraw/zinc/71/04/76/556710476.db2.gz ZQCIRMREFLSTAI-QHAWAJNXSA-N 0 3 449.850 4.299 50 5 IIBAHN CCc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)C3ON2c2ccccc2)cc1 ZINC000017836917 557125175 /nfs/dbraw/zinc/12/51/75/557125175.db2.gz KQUUKWFYSLEOIV-ZLNRFVROSA-N 0 3 443.459 4.208 50 5 IIBAHN COc1ccc([C@@H]2c3c(oc4c5ccccc5ccc4c3=O)C(=O)N2CCCN(C)C)cc1 ZINC000011614638 557211270 /nfs/dbraw/zinc/21/12/70/557211270.db2.gz URWVHLSSAWHSHB-HSZRJFAPSA-N 0 3 442.515 4.452 50 5 IIBAHN O=C1C2ON(c3ccccc3)[C@@H](c3cc([N+](=O)[O-])ccc3Cl)[C@H]2C(=O)N1c1ccccc1 ZINC000018165877 557245007 /nfs/dbraw/zinc/24/50/07/557245007.db2.gz XXNWPIAJAWISGN-QHAWAJNXSA-N 0 3 449.850 4.299 50 5 IIBAHN Cc1ccc(F)c([C@@H](CC(=O)NCCN2CCCC2)c2c[nH]c3ccc([N+](=O)[O-])cc32)c1 ZINC000107076746 557534624 /nfs/dbraw/zinc/53/46/24/557534624.db2.gz RCTHNLGZTMNRMJ-GOSISDBHSA-N 0 3 438.503 4.258 50 5 IIBAHN Cc1cc2oc3c(c(=O)c2cc1C)C(c1cccc([N+](=O)[O-])c1)N(c1ccccn1)C3=O ZINC000001118388 568659427 /nfs/dbraw/zinc/65/94/27/568659427.db2.gz SXKNZUJGRVFLOF-NRFANRHFSA-N 0 3 427.416 4.463 50 5 IIBAHN CC(C)c1nnc(N2C(=O)c3oc4ccccc4c(=O)c3C2c2cccc([N+](=O)[O-])c2)s1 ZINC000001131388 568661606 /nfs/dbraw/zinc/66/16/06/568661606.db2.gz WMEYHKJCGAXQRH-QGZVFWFLSA-N 0 3 448.460 4.426 50 5 IIBAHN CCc1cccc2c([C@@H](CC(=O)NCCN3CCCC3)c3ccccc3[N+](=O)[O-])c[nH]c21 ZINC000096275244 569388323 /nfs/dbraw/zinc/38/83/23/569388323.db2.gz IHSXGBCWMVEENX-NRFANRHFSA-N 0 3 434.540 4.373 50 5 IIBAHN Cc1ccc2oc3c(c(=O)c2c1)C(c1cccc([N+](=O)[O-])c1)N(c1cccc(C)n1)C3=O ZINC000009013264 569496630 /nfs/dbraw/zinc/49/66/30/569496630.db2.gz MAAZSAGSGJTPAR-OAQYLSRUSA-N 0 3 427.416 4.463 50 5 IIBAHN O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@H](c2ccccc2)C([N+](=O)[O-])[C@@H]2C=Cc3ccccc3N21 ZINC000009313345 569521913 /nfs/dbraw/zinc/52/19/13/569521913.db2.gz QTTJYWUJBQKXDZ-KIHHCIJBSA-N 0 3 441.443 4.491 50 5 IIBAHN Cc1cc(N2CCN(C(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)CC2)c2ccccc2n1 ZINC000009934628 132332031 /nfs/dbraw/zinc/33/20/31/132332031.db2.gz WRYXTJPMOVOXGR-UHFFFAOYSA-N 0 3 445.523 4.014 50 5 IIBAHN O=C1C2ON(c3ccccc3)[C@@H](c3cccc([N+](=O)[O-])c3)[C@@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000100712023 556655870 /nfs/dbraw/zinc/65/58/70/556655870.db2.gz OCOMGUVWMJYQJY-PCCBWWKXSA-N 0 3 449.850 4.299 50 5 IIBAHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccccc4[N+](=O)[O-])[C@@H]3C2=O)c(C)c1 ZINC000102766006 557381230 /nfs/dbraw/zinc/38/12/30/557381230.db2.gz IVBAGKFXHHRVFK-RJGXRXQPSA-N 0 3 443.459 4.263 50 5 IIBAHN Cc1ccccc1CN1CCC(NC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])CC1 ZINC000253405714 569265343 /nfs/dbraw/zinc/26/53/43/569265343.db2.gz POARKXRSIPVIKM-UHFFFAOYSA-N 0 3 430.508 4.360 50 5 IIBAHN O=C(C[C@H](c1c[nH]c2ccc([N+](=O)[O-])cc21)c1ccc(Cl)cc1)NCCN1CCCC1 ZINC000096278096 569388976 /nfs/dbraw/zinc/38/89/76/569388976.db2.gz ZWRLCIGHRMNCKZ-IBGZPJMESA-N 0 3 440.931 4.464 50 5 IIBAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc([N+](=O)[O-])cc3)[C@@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000102730966 557371453 /nfs/dbraw/zinc/37/14/53/557371453.db2.gz IPOJZKGPOKENFE-PCCBWWKXSA-N 0 3 449.850 4.299 50 5 IIBAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(Cl)cc3)[C@@H]2C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000102719794 557375585 /nfs/dbraw/zinc/37/55/85/557375585.db2.gz ZFFMMHDTLNTBLD-PCCBWWKXSA-N 0 3 449.850 4.299 50 5 IIBAHN CCc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4cccc([N+](=O)[O-])c4)[C@H]3C2=O)cc1 ZINC000239274980 569138761 /nfs/dbraw/zinc/13/87/61/569138761.db2.gz BAOOYJHBRZQXGB-XPWALMASSA-N 0 3 443.459 4.208 50 5 IIBAHN O=C1c2oc3ccc(Cl)cc3c(=O)c2C(c2cccc([N+](=O)[O-])c2)N1c1ccccn1 ZINC000008964440 569491302 /nfs/dbraw/zinc/49/13/02/569491302.db2.gz ILWWDVCWEATRBH-LJQANCHMSA-N 0 3 433.807 4.499 50 5 IIBAHN C[C@]12C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)C1ON(c1ccccc1)[C@H]2c1ccccc1 ZINC000244842338 569495877 /nfs/dbraw/zinc/49/58/77/569495877.db2.gz UOSGPBIVRHWILZ-AWRGLXIESA-N 0 3 429.432 4.036 50 5 IIBAHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2C(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000009090411 132302573 /nfs/dbraw/zinc/30/25/73/132302573.db2.gz GRFNCMCJJARKOB-IRLDBZIGSA-N 0 3 434.540 4.342 50 5 IIBAHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2C(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000012524569 526194270 /nfs/dbraw/zinc/19/42/70/526194270.db2.gz GRFNCMCJJARKOB-RBBKRZOGSA-N 0 3 434.540 4.342 50 5 IIBAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(Cl)cc3)[C@H]2C(=O)N1c1ccccc1[N+](=O)[O-] ZINC000013749024 556724598 /nfs/dbraw/zinc/72/45/98/556724598.db2.gz ARBNQJAWRMSWEV-NJDAHSKKSA-N 0 3 449.850 4.299 50 5 IIBAHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4cccc([N+](=O)[O-])c4)[C@@H]3C2=O)c(C)c1 ZINC000102711031 557368608 /nfs/dbraw/zinc/36/86/08/557368608.db2.gz PKIPREABKFBABA-RJGXRXQPSA-N 0 3 443.459 4.263 50 5 IIBAHN CCc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)C3ON2c2ccccc2)cc1 ZINC000102735679 557373313 /nfs/dbraw/zinc/37/33/13/557373313.db2.gz KQUUKWFYSLEOIV-YTFSRNRJSA-N 0 3 443.459 4.208 50 5 IIBAHN CCN(CC)CCN(C(=O)c1ccc([N+](=O)[O-])cc1)c1nc2ccc(OC)cc2s1 ZINC000009604219 562974014 /nfs/dbraw/zinc/97/40/14/562974014.db2.gz INOXLVWIQMBPHU-UHFFFAOYSA-N 0 3 428.514 4.202 50 5 IIBAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(Cl)cc3)[C@@H]2C(=O)N1c1ccccc1[N+](=O)[O-] ZINC000137792962 568892948 /nfs/dbraw/zinc/89/29/48/568892948.db2.gz ARBNQJAWRMSWEV-PWRODBHTSA-N 0 3 449.850 4.299 50 5 IIBAHN COc1ccc(Br)cc1[C@H](CO)N[C@H](C)[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000095451052 569367771 /nfs/dbraw/zinc/36/77/71/569367771.db2.gz NIPDUJUCBARQPZ-LBTNJELSSA-N 0 3 437.334 4.256 50 5 IIBAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc([N+](=O)[O-])cc3)[C@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000009311951 569521828 /nfs/dbraw/zinc/52/18/28/569521828.db2.gz IPOJZKGPOKENFE-NJDAHSKKSA-N 0 3 449.850 4.299 50 5 IIBAHN O=C1[C@@H]2C(=C([O-])N1c1ccc(Cl)cc1)ON(c1cccc([N+](=O)[O-])c1)[C@H]2c1ccccc1 ZINC000102726263 557370020 /nfs/dbraw/zinc/37/00/20/557370020.db2.gz HBXSYPXOUMPLMU-PCCBWWKXSA-N 0 3 449.850 4.299 50 5 IIBAHN O=C1C2ON(c3cccc([N+](=O)[O-])c3)[C@@H](c3ccccc3)[C@@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000102726263 557370021 /nfs/dbraw/zinc/37/00/21/557370021.db2.gz HBXSYPXOUMPLMU-PCCBWWKXSA-N 0 3 449.850 4.299 50 5 IIBAHN Cc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)C3ON2c2cccc([N+](=O)[O-])c2)cc1 ZINC000102737713 557379963 /nfs/dbraw/zinc/37/99/63/557379963.db2.gz UEWFDSYOPMVXMZ-YPAWHYETSA-N 0 3 447.422 4.093 50 5 IIBAHN O=C1C2ON(c3ccccc3)[C@H](c3cccc([N+](=O)[O-])c3)[C@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000006142478 568845222 /nfs/dbraw/zinc/84/52/22/568845222.db2.gz OCOMGUVWMJYQJY-NJDAHSKKSA-N 0 3 449.850 4.299 50 5 IIBAHN COc1cccc([C@@H]2CN(Cc3ccccc3[N+](=O)[O-])C[C@H]2CN(CC(C)C)C(C)=O)c1 ZINC000253389876 569264242 /nfs/dbraw/zinc/26/42/42/569264242.db2.gz CNLJHQDOHPCXDM-UPVQGACJSA-N 0 3 439.556 4.324 50 5 IIBAHN CCc1ccc2oc3c(c(=O)c2c1)C(c1cccc([N+](=O)[O-])c1)N(c1cc(C)on1)C3=O ZINC000008969379 569491982 /nfs/dbraw/zinc/49/19/82/569491982.db2.gz TULCKWKWRCUXFT-HXUWFJFHSA-N 0 3 431.404 4.310 50 5 IIBAHN CCN(CC)CCN(C(=O)c1ccc([N+](=O)[O-])cc1)c1nc2cc(OC)ccc2s1 ZINC000012140888 520638930 /nfs/dbraw/zinc/63/89/30/520638930.db2.gz HJERUKNNZYYRKZ-UHFFFAOYSA-N 0 3 428.514 4.202 50 5 IIBAHN O=C1C2ON(c3ccccc3)[C@@H](c3cc([N+](=O)[O-])ccc3Cl)[C@@H]2C(=O)N1c1ccccc1 ZINC000227020629 569431118 /nfs/dbraw/zinc/43/11/18/569431118.db2.gz XXNWPIAJAWISGN-PCCBWWKXSA-N 0 3 449.850 4.299 50 5 IIBAHN Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccccc2[N+](=O)[O-])c(C)c1 ZINC000245246111 569501099 /nfs/dbraw/zinc/50/10/99/569501099.db2.gz IVBAGKFXHHRVFK-DNVJHFABSA-N 0 3 443.459 4.263 50 5 IIBAHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccccc4[N+](=O)[O-])[C@H]3C2=O)c(C)c1 ZINC000245246111 569501100 /nfs/dbraw/zinc/50/11/00/569501100.db2.gz IVBAGKFXHHRVFK-DNVJHFABSA-N 0 3 443.459 4.263 50 5 IIBAHN COc1cccc([C@@H]2CN(Cc3ccccc3[N+](=O)[O-])C[C@@H]2CN(CC(C)C)C(C)=O)c1 ZINC000106610972 557530487 /nfs/dbraw/zinc/53/04/87/557530487.db2.gz CNLJHQDOHPCXDM-VWNXMTODSA-N 0 3 439.556 4.324 50 5 IIBAHN CCc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)C3ON2c2ccccc2)cc1 ZINC000095483651 569374621 /nfs/dbraw/zinc/37/46/21/569374621.db2.gz KQUUKWFYSLEOIV-ZRBLBEILSA-N 0 3 443.459 4.208 50 5 IIBAHN CCc1cccc2c([C@H](CC(=O)NCCN3CCCC3)c3ccccc3[N+](=O)[O-])c[nH]c21 ZINC000096275245 569388234 /nfs/dbraw/zinc/38/82/34/569388234.db2.gz IHSXGBCWMVEENX-OAQYLSRUSA-N 0 3 434.540 4.373 50 5 IIBAHN Cc1ccc([N-]S(=O)(=O)c2ccc(NC[C@@H]3CC[N@@H+](C(C)C)C3)c([N+](=O)[O-])c2)c(C)c1 ZINC000058161594 569449172 /nfs/dbraw/zinc/44/91/72/569449172.db2.gz IQZRWQBIZVVSEL-SFHVURJKSA-N 0 3 446.573 4.155 50 5 IIBAHN Cc1ccc([N-]S(=O)(=O)c2ccc(NC[C@@H]3CC[N@H+](C(C)C)C3)c([N+](=O)[O-])c2)c(C)c1 ZINC000058161594 569449173 /nfs/dbraw/zinc/44/91/73/569449173.db2.gz IQZRWQBIZVVSEL-SFHVURJKSA-N 0 3 446.573 4.155 50 5 IIBAHN O=C1c2oc3ccc(Cl)cc3c(=O)c2C(c2cccc([N+](=O)[O-])c2)N1c1ccccn1 ZINC000008964441 569491260 /nfs/dbraw/zinc/49/12/60/569491260.db2.gz ILWWDVCWEATRBH-IBGZPJMESA-N 0 3 433.807 4.499 50 5 IIBAHN O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@H](c2ccccc2)C([N+](=O)[O-])[C@H]2C=Cc3ccccc3N21 ZINC000229882420 556339508 /nfs/dbraw/zinc/33/95/08/556339508.db2.gz QTTJYWUJBQKXDZ-YCAMKHIRSA-N 0 3 441.443 4.491 50 5 IIBAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(Cl)c([N+](=O)[O-])c3)[C@H]2C(=O)N1c1ccccc1 ZINC000013807391 556743644 /nfs/dbraw/zinc/74/36/44/556743644.db2.gz QZSZKPFFTURYGA-QHAWAJNXSA-N 0 3 449.850 4.299 50 5 IIBAHN Cc1ccc2oc3c(c(=O)c2c1)C(c1cccc([N+](=O)[O-])c1)N(c1cccc(C)n1)C3=O ZINC000009013265 569496646 /nfs/dbraw/zinc/49/66/46/569496646.db2.gz MAAZSAGSGJTPAR-NRFANRHFSA-N 0 3 427.416 4.463 50 5 IIBAHN CC(=O)N(CC(C)C)C[C@H]1CN(Cc2ccccc2[N+](=O)[O-])C[C@H]1c1cccc(F)c1 ZINC000245328321 569503827 /nfs/dbraw/zinc/50/38/27/569503827.db2.gz NCEAVTNSZSCJEN-GGAORHGYSA-N 0 3 427.520 4.454 50 5 IIBAHN O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@H](c2ccccc2)C([N+](=O)[O-])[C@@H]2C=Cc3ccccc3N21 ZINC000009313343 569521961 /nfs/dbraw/zinc/52/19/61/569521961.db2.gz QTTJYWUJBQKXDZ-KEZOAJOQSA-N 0 3 441.443 4.491 50 5 IIBAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(Cl)cc3)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 ZINC000013646135 556705335 /nfs/dbraw/zinc/70/53/35/556705335.db2.gz USSFWXSVRRDCIU-QHAWAJNXSA-N 0 3 449.850 4.299 50 5 IIBAHN CC(=O)N(CC(C)C)C[C@H]1CN(Cc2ccccc2[N+](=O)[O-])C[C@@H]1c1cccc(F)c1 ZINC000034740449 568737746 /nfs/dbraw/zinc/73/77/46/568737746.db2.gz NCEAVTNSZSCJEN-FYYLOGMGSA-N 0 3 427.520 4.454 50 5 IIBAHN Cc1ccccc1N1OC2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@H]2[C@H]1c1ccc(F)cc1 ZINC000238900290 569137764 /nfs/dbraw/zinc/13/77/64/569137764.db2.gz IOVYATFMQVVEGT-BDTNDASRSA-N 0 3 447.422 4.093 50 5 IIBAHN O=C(C[C@@H](c1c[nH]c2ccc(Cl)cc21)c1cccc([N+](=O)[O-])c1)NCCN1CCCC1 ZINC000096274849 569388135 /nfs/dbraw/zinc/38/81/35/569388135.db2.gz KKKMIUILDQYRCZ-LJQANCHMSA-N 0 3 440.931 4.464 50 5 IIBAHN O=C1c2oc3ccccc3c(=O)c2C(c2cccc([N+](=O)[O-])c2)N1c1ccc(Cl)cn1 ZINC000009329302 569522925 /nfs/dbraw/zinc/52/29/25/569522925.db2.gz PRCPCZXBRYQAOC-IBGZPJMESA-N 0 3 433.807 4.499 50 5 IIBAHN O=C1C2ON(c3ccccc3)[C@H](c3cccc([N+](=O)[O-])c3)[C@H]2C(=O)N1c1cccc(Cl)c1 ZINC000009331621 569523066 /nfs/dbraw/zinc/52/30/66/569523066.db2.gz NFJLOKYKERBPCB-NJDAHSKKSA-N 0 3 449.850 4.299 50 5 IIBAHN Cc1ccccc1N1OC2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@H]2[C@H]1c1cccs1 ZINC000101880184 557304344 /nfs/dbraw/zinc/30/43/44/557304344.db2.gz OCTBGNLBMWPCNX-ZCNNSNEGSA-N 0 3 435.461 4.016 50 5 IIBAHN O=C1[C@@H]2C(=C([O-])N1c1cccc(Cl)c1)ON(c1ccccc1)[C@@H]2c1ccccc1[N+](=O)[O-] ZINC000229922196 557833922 /nfs/dbraw/zinc/83/39/22/557833922.db2.gz LCMWRHVBRKMAMK-PWRODBHTSA-N 0 3 449.850 4.299 50 5 IIBAHN O=C1C2ON(c3ccccc3)[C@H](c3ccccc3[N+](=O)[O-])[C@@H]2C(=O)N1c1cccc(Cl)c1 ZINC000229922196 557833924 /nfs/dbraw/zinc/83/39/24/557833924.db2.gz LCMWRHVBRKMAMK-PWRODBHTSA-N 0 3 449.850 4.299 50 5 IIBAHN CCc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4cccc([N+](=O)[O-])c4)[C@@H]3C2=O)cc1 ZINC000137469955 568844886 /nfs/dbraw/zinc/84/48/86/568844886.db2.gz BAOOYJHBRZQXGB-RJGXRXQPSA-N 0 3 443.459 4.208 50 5 IIBAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccccc3Cl)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 ZINC000137809027 568893456 /nfs/dbraw/zinc/89/34/56/568893456.db2.gz ZZNCQVJBBNCZSD-PCCBWWKXSA-N 0 3 449.850 4.299 50 5 IIBAHN Cc1ccc2ccccc2c1CN1CCN(c2c3ccccc3n(C)c(=O)c2[N+](=O)[O-])CC1 ZINC000019808089 569329780 /nfs/dbraw/zinc/32/97/80/569329780.db2.gz FGGCDMOBQACSTL-UHFFFAOYSA-N 0 3 442.519 4.231 50 5 IIBAHN O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@H](c2ccccc2)C([N+](=O)[O-])[C@H]2C=Cc3ccccc3N21 ZINC000229882427 556339528 /nfs/dbraw/zinc/33/95/28/556339528.db2.gz QTTJYWUJBQKXDZ-LWSSLDFYSA-N 0 3 441.443 4.491 50 5 IIBAHN O=C1C2ON(c3ccccc3)[C@@H](c3cccc([N+](=O)[O-])c3)[C@H]2C(=O)N1c1cccc(Cl)c1 ZINC000013685943 556710445 /nfs/dbraw/zinc/71/04/45/556710445.db2.gz NFJLOKYKERBPCB-QHAWAJNXSA-N 0 3 449.850 4.299 50 5 IIBAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(Cl)cc3)[C@H]2C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000013714432 556714880 /nfs/dbraw/zinc/71/48/80/556714880.db2.gz ZFFMMHDTLNTBLD-QHAWAJNXSA-N 0 3 449.850 4.299 50 5 IIBAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccccc3[N+](=O)[O-])[C@H]2C(=O)N1c1ccccc1Cl ZINC000017993122 557136966 /nfs/dbraw/zinc/13/69/66/557136966.db2.gz UEIHFDSZPPKBMU-QHAWAJNXSA-N 0 3 449.850 4.299 50 5 IIBAHN COc1cccc([C@H]2CN(Cc3ccccc3[N+](=O)[O-])C[C@@H]2CN(CC(C)C)C(C)=O)c1 ZINC000034740277 568737730 /nfs/dbraw/zinc/73/77/30/568737730.db2.gz CNLJHQDOHPCXDM-ISKFKSNPSA-N 0 3 439.556 4.324 50 5 IIBAHN O=C1C2ON(c3ccccc3)[C@@H](c3cccc([N+](=O)[O-])c3)[C@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000011582560 569302564 /nfs/dbraw/zinc/30/25/64/569302564.db2.gz OCOMGUVWMJYQJY-QHAWAJNXSA-N 0 3 449.850 4.299 50 5 IIBAHN COc1ccc(Br)cc1[C@H](CO)N[C@@H](C)[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000095451053 569367739 /nfs/dbraw/zinc/36/77/39/569367739.db2.gz NIPDUJUCBARQPZ-DEYYWGMASA-N 0 3 437.334 4.256 50 5 IIBAHN COc1ccc(C(=O)Nc2ccc(N3CCN(Cc4ccccc4)CC3)cc2)cc1[N+](=O)[O-] ZINC000057254347 569430086 /nfs/dbraw/zinc/43/00/86/569430086.db2.gz PGSRYBJFQNIODI-UHFFFAOYSA-N 0 3 446.507 4.178 50 5 IIBAHN O=C1C2ON(c3ccccc3)[C@H](c3ccccc3[N+](=O)[O-])[C@H]2C(=O)N1c1ccccc1Cl ZINC000009329042 569522923 /nfs/dbraw/zinc/52/29/23/569522923.db2.gz UEIHFDSZPPKBMU-NJDAHSKKSA-N 0 3 449.850 4.299 50 5 IIBAHN