smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCc1nnc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3C2c2cccc([N+](=O)[O-])c2)s1 ZINC000002403696 554187236 /nfs/dbraw/zinc/18/72/36/554187236.db2.gz XTFAWEHQVBNDKT-QGZVFWFLSA-N 0 3 468.878 4.518 50 5 JJBAHN O=C1c2oc3ccc(F)cc3c(=O)c2C(c2cccc([N+](=O)[O-])c2)N1c1ccc(Cl)cn1 ZINC000009210131 554979518 /nfs/dbraw/zinc/97/95/18/554979518.db2.gz PYWORFCZOUGXNL-IBGZPJMESA-N 0 3 451.797 4.639 50 5 JJBAHN CN(C)[C@H](CN[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)c1ccccc1 ZINC000009492188 555271435 /nfs/dbraw/zinc/27/14/35/555271435.db2.gz HNFXULIAWRNTKV-DHIUTWEWSA-N 0 3 452.942 4.821 50 5 JJBAHN CC(C)NCC(=O)Nc1sc2c(c1C(=O)Nc1cccc([N+](=O)[O-])c1)CC[C@H](C(C)(C)C)C2 ZINC000015946879 556083979 /nfs/dbraw/zinc/08/39/79/556083979.db2.gz HJBDOTIDFZXVBW-HNNXBMFYSA-N 0 3 472.611 4.996 50 5 JJBAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccccc3[N+](=O)[O-])[C@H]2C(=O)N1c1cccc2ccccc21 ZINC000018030419 556277972 /nfs/dbraw/zinc/27/79/72/556277972.db2.gz XGFJOELKMOGKSN-DSNGMDLFSA-N 0 3 465.465 4.799 50 5 JJBAHN CCc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)C3ON2c2cccc([N+](=O)[O-])c2)cc1 ZINC000018091240 556286638 /nfs/dbraw/zinc/28/66/38/556286638.db2.gz OFCILHBPDUWKEH-ZLNRFVROSA-N 0 3 477.904 4.862 50 5 JJBAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccccc3[N+](=O)[O-])[C@H]2C(=O)N1c1cccc(C(F)(F)F)c1 ZINC000018167341 556297380 /nfs/dbraw/zinc/29/73/80/556297380.db2.gz AWEMUSNXCYCNEW-QHAWAJNXSA-N 0 3 483.402 4.665 50 5 JJBAHN CN(C)CCNC(=O)C[C@H](c1cn(Cc2ccccc2)c2ccc([N+](=O)[O-])cc12)c1cccc(F)c1 ZINC000035872681 569719564 /nfs/dbraw/zinc/71/95/64/569719564.db2.gz CUIQFFBXDXAULQ-DEOSSOPVSA-N 0 3 488.563 4.937 50 5 JJBAHN CCCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccccc4[N+](=O)[O-])[C@@H]3C2=O)cc1 ZINC000102760728 569821987 /nfs/dbraw/zinc/82/19/87/569821987.db2.gz DDQWRVUFIHYGNV-CCDWMCETSA-N 0 3 487.512 4.825 50 5 JJBAHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4cc([N+](=O)[O-])ccc4Cl)[C@H]3C2=O)cc1 ZINC000102761684 569822370 /nfs/dbraw/zinc/82/23/70/569822370.db2.gz XFPFRSWGFYOUEZ-BHIFYINESA-N 0 3 463.877 4.608 50 5 JJBAHN CCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(Cl)c([N+](=O)[O-])c4)[C@H]3C2=O)cc1 ZINC000102766361 569823024 /nfs/dbraw/zinc/82/30/24/569823024.db2.gz BFURDYFRTOVTEE-XPWALMASSA-N 0 3 493.903 4.698 50 5 JJBAHN O=C1C2ON(c3cccc([N+](=O)[O-])c3)[C@@H](c3ccccc3)[C@@H]2C(=O)N1c1cccc2ccccc21 ZINC000136048810 569864561 /nfs/dbraw/zinc/86/45/61/569864561.db2.gz RYZYEFDVPIMKHC-CCDWMCETSA-N 0 3 465.465 4.799 50 5 JJBAHN O=C1C2ON(c3ccccc3)[C@@H](c3cc([N+](=O)[O-])ccc3Cl)[C@@H]2C(=O)N1c1ccccc1Cl ZINC000137907493 569865466 /nfs/dbraw/zinc/86/54/66/569865466.db2.gz WHVBULNDXWUSGW-PCCBWWKXSA-N 0 3 484.295 4.953 50 5 JJBAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc([N+](=O)[O-])cc3)[C@@H]2C(=O)N1c1c(Cl)cccc1Cl ZINC000226989901 570039736 /nfs/dbraw/zinc/03/97/36/570039736.db2.gz SZNGISRRWCCVBE-IRFCIJBXSA-N 0 3 484.295 4.953 50 5 JJBAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc([N+](=O)[O-])cc3)[C@@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000229876191 570041644 /nfs/dbraw/zinc/04/16/44/570041644.db2.gz BNRPMTUMQDZPAK-PWRODBHTSA-N 0 3 484.295 4.953 50 5 JJBAHN O=C1[C@@H]2C(=C([O-])N1c1ccc([N+](=O)[O-])cc1)ON(c1ccccc1)[C@@H]2c1cccc2ccccc21 ZINC000230001852 570043377 /nfs/dbraw/zinc/04/33/77/570043377.db2.gz XDGUDTSUVLEHAK-ISJGIBHGSA-N 0 3 465.465 4.799 50 5 JJBAHN O=C1C2ON(c3ccccc3)[C@H](c3cccc4ccccc43)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 ZINC000230001852 570043379 /nfs/dbraw/zinc/04/33/79/570043379.db2.gz XDGUDTSUVLEHAK-ISJGIBHGSA-N 0 3 465.465 4.799 50 5 JJBAHN CCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(Cl)c([N+](=O)[O-])c4)[C@H]3C2=O)cc1 ZINC000245245178 570058851 /nfs/dbraw/zinc/05/88/51/570058851.db2.gz BFURDYFRTOVTEE-DNVJHFABSA-N 0 3 493.903 4.698 50 5 JJBAHN Cc1ccc(N2C(=O)C3ON(c4cccc([N+](=O)[O-])c4)[C@H](c4ccccc4Cl)[C@H]3C2=O)cc1 ZINC000245245199 570058882 /nfs/dbraw/zinc/05/88/82/570058882.db2.gz BOPVQJYHDXWSQO-YPAWHYETSA-N 0 3 463.877 4.608 50 5 JJBAHN Cc1ccnc(N2C(=O)c3oc4ccc(Br)cc4c(=O)c3C2c2cccc([N+](=O)[O-])c2)c1 ZINC000008846143 554744381 /nfs/dbraw/zinc/74/43/81/554744381.db2.gz YHVIIKIXISDOSF-FQEVSTJZSA-N 0 3 492.285 4.917 50 5 JJBAHN O=C1c2oc3ccc(F)cc3c(=O)c2C(c2cccc([N+](=O)[O-])c2)N1c1ccc(Cl)cn1 ZINC000009210130 554979511 /nfs/dbraw/zinc/97/95/11/554979511.db2.gz PYWORFCZOUGXNL-LJQANCHMSA-N 0 3 451.797 4.639 50 5 JJBAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc([N+](=O)[O-])cc3)[C@H]2C(=O)N1c1cccc2ccccc21 ZINC000009424229 555188882 /nfs/dbraw/zinc/18/88/82/555188882.db2.gz RKRXFPUFHNLTPZ-UBFVSLLYSA-N 0 3 465.465 4.799 50 5 JJBAHN CN(C)[C@H](CN[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1)c1ccccc1 ZINC000012565970 556063526 /nfs/dbraw/zinc/06/35/26/556063526.db2.gz PIDSRHNJSNUDBH-DHIUTWEWSA-N 0 3 497.393 4.930 50 5 JJBAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(Cl)c([N+](=O)[O-])c3)[C@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000018169443 556297664 /nfs/dbraw/zinc/29/76/64/556297664.db2.gz FDQDELDTXWZPNF-QHAWAJNXSA-N 0 3 484.295 4.953 50 5 JJBAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1cc(-c2ccc(F)cc2)nn1-c1ccc([N+](=O)[O-])cc1 ZINC000035726236 569708749 /nfs/dbraw/zinc/70/87/49/569708749.db2.gz KJNZIQLJZHJVKZ-UHFFFAOYSA-N 0 3 499.546 4.981 50 5 JJBAHN CN(C)CCNC(=O)C[C@H](c1cn(Cc2ccccc2)c2ccc([N+](=O)[O-])cc12)c1ccc(F)cc1 ZINC000035872602 569719592 /nfs/dbraw/zinc/71/95/92/569719592.db2.gz JWMJXJLMJZTPOR-DEOSSOPVSA-N 0 3 488.563 4.937 50 5 JJBAHN CN(C)CCNC(=O)C[C@@H](c1cn(Cc2ccccc2)c2ccc([N+](=O)[O-])cc12)c1ccc(F)cc1 ZINC000035872603 569719597 /nfs/dbraw/zinc/71/95/97/569719597.db2.gz JWMJXJLMJZTPOR-XMMPIXPASA-N 0 3 488.563 4.937 50 5 JJBAHN O=C1C2ON(c3ccccc3)[C@@H](c3cccc4ccccc43)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 ZINC000102707373 569816697 /nfs/dbraw/zinc/81/66/97/569816697.db2.gz XDGUDTSUVLEHAK-CCDWMCETSA-N 0 3 465.465 4.799 50 5 JJBAHN CC(C)(C)c1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)C3ON2c2ccccc2)cc1 ZINC000102752068 569820881 /nfs/dbraw/zinc/82/08/81/569820881.db2.gz HVHAQXLUHGXITG-RBZQAINGSA-N 0 3 471.513 4.943 50 5 JJBAHN O=C1C2ON(c3ccccc3)[C@@H](c3cc([N+](=O)[O-])ccc3Cl)[C@@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000102760654 569821973 /nfs/dbraw/zinc/82/19/73/569821973.db2.gz VFYBMGMVZNNLCW-PCCBWWKXSA-N 0 3 484.295 4.953 50 5 JJBAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(-c4ccccc4[N+](=O)[O-])o3)[C@@H]2C(=O)N1c1ccccc1 ZINC000226833785 570038821 /nfs/dbraw/zinc/03/88/21/570038821.db2.gz MNXKREDWCRGYCZ-CCDWMCETSA-N 0 3 481.464 4.906 50 5 JJBAHN Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000229899047 570041939 /nfs/dbraw/zinc/04/19/39/570041939.db2.gz JUJYJBMCGMULIJ-BHDDXSALSA-N 0 3 463.877 4.608 50 5 JJBAHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(Cl)c([N+](=O)[O-])c4)[C@@H]3C2=O)cc1 ZINC000229899047 570041940 /nfs/dbraw/zinc/04/19/40/570041940.db2.gz JUJYJBMCGMULIJ-BHDDXSALSA-N 0 3 463.877 4.608 50 5 JJBAHN CCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4cc([N+](=O)[O-])ccc4Cl)[C@H]3C2=O)cc1 ZINC000245246854 570059222 /nfs/dbraw/zinc/05/92/22/570059222.db2.gz PTRLPRDADMWKPV-DNVJHFABSA-N 0 3 493.903 4.698 50 5 JJBAHN O=C1C2ON(c3cccc([N+](=O)[O-])c3)[C@H](c3ccccc3Cl)[C@@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000245247787 570059433 /nfs/dbraw/zinc/05/94/33/570059433.db2.gz XHJPICMRXHBYBX-PWRODBHTSA-N 0 3 484.295 4.953 50 5 JJBAHN O=C(Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1)c1ccc([N+](=O)[O-])cc1Cl ZINC000016479890 527226649 /nfs/dbraw/zinc/22/66/49/527226649.db2.gz UTOPKWXVSYHRDM-UHFFFAOYSA-N 0 3 450.926 4.823 50 5 JJBAHN Cc1cc(N2C(=O)c3oc4ccc(Br)cc4c(=O)c3C2c2cccc([N+](=O)[O-])c2)no1 ZINC000002324456 554148869 /nfs/dbraw/zinc/14/88/69/554148869.db2.gz UYSBKEVWWFHMKF-GOSISDBHSA-N 0 3 482.246 4.510 50 5 JJBAHN Cc1cccc(N2C(=O)c3oc4ccc(Br)cc4c(=O)c3C2c2cccc([N+](=O)[O-])c2)n1 ZINC000002401241 554185889 /nfs/dbraw/zinc/18/58/89/554185889.db2.gz LLDIQRIMKKLWCQ-FQEVSTJZSA-N 0 3 492.285 4.917 50 5 JJBAHN COc1ccc2[nH]c3c(c2c1)CCN[C@@H]3c1ccc(OC)c(COc2ccc([N+](=O)[O-])cc2)c1 ZINC000020111764 555648966 /nfs/dbraw/zinc/64/89/66/555648966.db2.gz UFZICYSLNXTLDG-RUZDIDTESA-N 0 3 459.502 4.907 50 5 biogenic JJBAHN CN(C)[C@@H](CN[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1)c1ccccc1 ZINC000012565971 556063582 /nfs/dbraw/zinc/06/35/82/556063582.db2.gz PIDSRHNJSNUDBH-GOTSBHOMSA-N 0 3 497.393 4.930 50 5 JJBAHN COc1cccc([C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3)C[C@H]2CN2CCc3ccccc3C2)c1 ZINC000034698619 569647861 /nfs/dbraw/zinc/64/78/61/569647861.db2.gz QVJWKMSGMXTNPA-SQHAQQRYSA-N 0 3 471.557 4.518 50 5 JJBAHN CCc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)C3ON2c2cccc([N+](=O)[O-])c2)cc1 ZINC000102758499 569821567 /nfs/dbraw/zinc/82/15/67/569821567.db2.gz OFCILHBPDUWKEH-DNVJHFABSA-N 0 3 477.904 4.862 50 5 JJBAHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(Cl)c([N+](=O)[O-])c4)[C@@H]3C2=O)c(C)c1 ZINC000102765709 569822816 /nfs/dbraw/zinc/82/28/16/569822816.db2.gz BZPAHXGGPZOEPF-RJGXRXQPSA-N 0 3 477.904 4.916 50 5 JJBAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(Cl)c([N+](=O)[O-])c3)[C@@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000102768094 569823284 /nfs/dbraw/zinc/82/32/84/569823284.db2.gz FDQDELDTXWZPNF-PCCBWWKXSA-N 0 3 484.295 4.953 50 5 JJBAHN O=C1C2ON(c3ccccc3)[C@@H](c3cccc([N+](=O)[O-])c3)[C@@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000226983863 570039540 /nfs/dbraw/zinc/03/95/40/570039540.db2.gz FPWJGVZMUJRDLG-PCCBWWKXSA-N 0 3 484.295 4.953 50 5 JJBAHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(Cl)c([N+](=O)[O-])c4)[C@H]3C2=O)c(C)c1 ZINC000245245209 570058933 /nfs/dbraw/zinc/05/89/33/570058933.db2.gz BZPAHXGGPZOEPF-DNVJHFABSA-N 0 3 477.904 4.916 50 5 JJBAHN CCCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccccc2[N+](=O)[O-])cc1 ZINC000245245558 570059060 /nfs/dbraw/zinc/05/90/60/570059060.db2.gz DDQWRVUFIHYGNV-UBFVSLLYSA-N 0 3 487.512 4.825 50 5 JJBAHN CCCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccccc4[N+](=O)[O-])[C@H]3C2=O)cc1 ZINC000245245558 570059061 /nfs/dbraw/zinc/05/90/61/570059061.db2.gz DDQWRVUFIHYGNV-UBFVSLLYSA-N 0 3 487.512 4.825 50 5 JJBAHN O=C1C2ON(c3cccc([N+](=O)[O-])c3)[C@H](c3ccccc3Cl)[C@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000245247786 570059402 /nfs/dbraw/zinc/05/94/02/570059402.db2.gz XHJPICMRXHBYBX-NJDAHSKKSA-N 0 3 484.295 4.953 50 5 JJBAHN C[C@@H]1CC[C@@H]2C(=O)N(c3ccc(NC4CCN(Cc5ccccc5)CC4)c([N+](=O)[O-])c3)C(=O)[C@H]2C1 ZINC000245343699 570067348 /nfs/dbraw/zinc/06/73/48/570067348.db2.gz XFKGQACUIQBSCJ-LEOXJPRUSA-N 0 3 476.577 4.597 50 5 JJBAHN COc1ccc2[nH]c3c(c2c1)CCN[C@@H]3c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000012371481 525484816 /nfs/dbraw/zinc/48/48/16/525484816.db2.gz HKXBBAHARITPFJ-RUZDIDTESA-N 0 3 459.502 4.907 50 5 JJBAHN O=C1C2ON(c3ccccc3)[C@H](c3cccc([N+](=O)[O-])c3)[C@H]2C(=O)N1c1cccc2ccccc21 ZINC000009014254 554865539 /nfs/dbraw/zinc/86/55/39/554865539.db2.gz CFLOBRJPPPOLTK-UBFVSLLYSA-N 0 3 465.465 4.799 50 5 JJBAHN Cc1cccc(N2C(=O)c3oc4ccc(Br)cc4c(=O)c3C2c2cccc([N+](=O)[O-])c2)n1 ZINC000009089852 554890708 /nfs/dbraw/zinc/89/07/08/554890708.db2.gz LLDIQRIMKKLWCQ-HXUWFJFHSA-N 0 3 492.285 4.917 50 5 JJBAHN O=C1C2ON(c3ccccc3)[C@H](c3ccccc3[N+](=O)[O-])[C@H]2C(=O)N1c1ccccc1C(F)(F)F ZINC000009328514 555099078 /nfs/dbraw/zinc/09/90/78/555099078.db2.gz PGIJGILKOFWSEC-NJDAHSKKSA-N 0 3 483.402 4.665 50 5 JJBAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(Cl)cc3Cl)[C@H]2C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000013758471 555611515 /nfs/dbraw/zinc/61/15/15/555611515.db2.gz XMYGPLNWPYZVHL-QHAWAJNXSA-N 0 3 484.295 4.953 50 5 JJBAHN O=C1C2ON(c3ccccc3)[C@@H](c3cccc4ccccc43)[C@H]2C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000017857310 556269049 /nfs/dbraw/zinc/26/90/49/556269049.db2.gz HXXMZGFZVHQYJX-DSNGMDLFSA-N 0 3 465.465 4.799 50 5 JJBAHN C[C@@H]1CC[C@H]2C(=O)N(c3ccc(NC4CCN(Cc5ccccc5)CC4)c([N+](=O)[O-])c3)C(=O)[C@@H]2C1 ZINC000102385953 569812818 /nfs/dbraw/zinc/81/28/18/569812818.db2.gz XFKGQACUIQBSCJ-SXSPYAJSSA-N 0 3 476.577 4.597 50 5 JJBAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(Cl)cc3Cl)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 ZINC000137792104 569865294 /nfs/dbraw/zinc/86/52/94/569865294.db2.gz FBYSAYMXYXOGMA-PWRODBHTSA-N 0 3 484.295 4.953 50 5 JJBAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(OC(F)(F)F)cc3)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 ZINC000137885052 569865384 /nfs/dbraw/zinc/86/53/84/569865384.db2.gz JQULETKQGCNLTD-PCCBWWKXSA-N 0 3 499.401 4.545 50 5 JJBAHN CN(C)c1ccc([C@H]2C([N+](=O)[O-])[C@H]3C=Cc4ccccc4N3[C@H]2C(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000229858849 570041442 /nfs/dbraw/zinc/04/14/42/570041442.db2.gz AXVIKEQTAYLUKG-KEVKATSASA-N 0 3 484.512 4.557 50 5 JJBAHN CN(C)c1ccc([C@H]2C([N+](=O)[O-])[C@@H]3C=Cc4ccccc4N3[C@H]2C(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000229874930 570041594 /nfs/dbraw/zinc/04/15/94/570041594.db2.gz AXVIKEQTAYLUKG-ASDGIDEWSA-N 0 3 484.512 4.557 50 5 JJBAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc([N+](=O)[O-])cc3)[C@H]2C(=O)N1c1ccc2ccccc2c1 ZINC000001313708 194083500 /nfs/dbraw/zinc/08/35/00/194083500.db2.gz HTMKSIUKRBNEIZ-UBFVSLLYSA-N 0 3 465.465 4.799 50 5 JJBAHN CC(C)Cc1nnc(N2C(=O)c3oc4ccccc4c(=O)c3C2c2cccc([N+](=O)[O-])c2)s1 ZINC000001880634 194151959 /nfs/dbraw/zinc/15/19/59/194151959.db2.gz RPQMKUDSTOQSTL-IBGZPJMESA-N 0 3 462.487 4.501 50 5 JJBAHN CN(CCCNC(=O)c1ccc2c3nc4ccccc4n3c(=S)[nH]c2c1)Cc1ccccc1 ZINC000020618195 195189821 /nfs/dbraw/zinc/18/98/21/195189821.db2.gz CCDZHUOUJBLQOG-UHFFFAOYSA-N 0 3 455.587 4.576 50 5 JJBAHN COc1ccc2[nH]c3c(c2c1)CCN[C@H]3c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000012371480 525486087 /nfs/dbraw/zinc/48/60/87/525486087.db2.gz HKXBBAHARITPFJ-VWLOTQADSA-N 0 3 459.502 4.907 50 5 JJBAHN O=C1C2ON(c3ccccc3)[C@H](c3ccccc3[N+](=O)[O-])[C@H]2C(=O)N1c1cccc2ccccc21 ZINC000009478981 527110804 /nfs/dbraw/zinc/11/08/04/527110804.db2.gz XGFJOELKMOGKSN-UBFVSLLYSA-N 0 3 465.465 4.799 50 5 JJBAHN O=C1c2oc3ccc(Br)cc3c(=O)c2C(c2cccc([N+](=O)[O-])c2)N1c1nccs1 ZINC000008827434 554717634 /nfs/dbraw/zinc/71/76/34/554717634.db2.gz FPJYQWHUVJODCI-INIZCTEOSA-N 0 3 484.287 4.670 50 5 JJBAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(-c4ccccc4[N+](=O)[O-])o3)[C@@H]2C(=O)N1c1ccccc1 ZINC000102755231 569821383 /nfs/dbraw/zinc/82/13/83/569821383.db2.gz MNXKREDWCRGYCZ-ISJGIBHGSA-N 0 3 481.464 4.906 50 5 JJBAHN O=C1C2ON(c3ccccc3)[C@H](c3ccccc3[N+](=O)[O-])[C@@H]2C(=O)N1c1cccc(C(F)(F)F)c1 ZINC000102766975 569823074 /nfs/dbraw/zinc/82/30/74/569823074.db2.gz AWEMUSNXCYCNEW-PWRODBHTSA-N 0 3 483.402 4.665 50 5 JJBAHN O=C1C2ON(c3cccc([N+](=O)[O-])c3)[C@@H](c3ccccc3)[C@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000229939597 570042490 /nfs/dbraw/zinc/04/24/90/570042490.db2.gz PNRAUUFHWKLZIG-QHAWAJNXSA-N 0 3 484.295 4.953 50 5 JJBAHN CCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4cc([N+](=O)[O-])ccc4Cl)[C@@H]3C2=O)cc1 ZINC000229938640 570042537 /nfs/dbraw/zinc/04/25/37/570042537.db2.gz PTRLPRDADMWKPV-YTFSRNRJSA-N 0 3 493.903 4.698 50 5 JJBAHN CCCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4cccc([N+](=O)[O-])c4)[C@@H]3C2=O)cc1 ZINC000230034010 570043691 /nfs/dbraw/zinc/04/36/91/570043691.db2.gz PAKCWQZRQFKPKC-ISJGIBHGSA-N 0 3 487.512 4.825 50 5 JJBAHN C[C@@H]1CC[C@H]2C(=O)N(c3ccc(NC4CCN(Cc5ccccc5)CC4)c([N+](=O)[O-])c3)C(=O)[C@H]2C1 ZINC000245343700 570067309 /nfs/dbraw/zinc/06/73/09/570067309.db2.gz XFKGQACUIQBSCJ-YSZBQJHXSA-N 0 3 476.577 4.597 50 5 JJBAHN CC(C)Cc1nnc(N2C(=O)c3oc4ccccc4c(=O)c3C2c2cccc([N+](=O)[O-])c2)s1 ZINC000001880636 194151934 /nfs/dbraw/zinc/15/19/34/194151934.db2.gz RPQMKUDSTOQSTL-LJQANCHMSA-N 0 3 462.487 4.501 50 5 JJBAHN O=C(Nc1ccc(CN2CCCCC2)cc1)c1ccc(Cn2cc(Cl)c([N+](=O)[O-])n2)cc1 ZINC000002809395 554359364 /nfs/dbraw/zinc/35/93/64/554359364.db2.gz WCPIYMRUUGXZMH-UHFFFAOYSA-N 0 3 453.930 4.731 50 5 JJBAHN O=C1C2ON(c3ccccc3)[C@H](c3cccc4ccccc43)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 ZINC000009075571 554886753 /nfs/dbraw/zinc/88/67/53/554886753.db2.gz XDGUDTSUVLEHAK-UBFVSLLYSA-N 0 3 465.465 4.799 50 5 JJBAHN COc1ccc([C@@H]2NCCc3c4ccccc4[nH]c32)cc1CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000009730587 555466462 /nfs/dbraw/zinc/46/64/62/555466462.db2.gz VTMALPXYFQHBFL-NDEPHWFRSA-N 0 3 497.599 4.642 50 5 biogenic JJBAHN O=C1C2ON(c3ccccc3)[C@@H](c3cccc4ccccc43)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 ZINC000017822355 556267288 /nfs/dbraw/zinc/26/72/88/556267288.db2.gz XDGUDTSUVLEHAK-DSNGMDLFSA-N 0 3 465.465 4.799 50 5 JJBAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccccc3[N+](=O)[O-])[C@H]2C(=O)N1c1ccccc1C(F)(F)F ZINC000018067725 556283165 /nfs/dbraw/zinc/28/31/65/556283165.db2.gz PGIJGILKOFWSEC-QHAWAJNXSA-N 0 3 483.402 4.665 50 5 JJBAHN O=C1C2ON(c3ccccc3)[C@@H](c3cccc([N+](=O)[O-])c3)[C@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000018118815 556290064 /nfs/dbraw/zinc/29/00/64/556290064.db2.gz FPWJGVZMUJRDLG-QHAWAJNXSA-N 0 3 484.295 4.953 50 5 JJBAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(Cl)cc3Cl)[C@H]2C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000018146111 556294066 /nfs/dbraw/zinc/29/40/66/556294066.db2.gz XMYGPLNWPYZVHL-NJDAHSKKSA-N 0 3 484.295 4.953 50 5 JJBAHN CC(C)(C)c1ccc([C@@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)C3ON2c2ccccc2)cc1 ZINC000102752072 569820758 /nfs/dbraw/zinc/82/07/58/569820758.db2.gz HVHAQXLUHGXITG-WXFUMESZSA-N 0 3 471.513 4.943 50 5 JJBAHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4cc([N+](=O)[O-])ccc4Cl)[C@@H]3C2=O)c(C)c1 ZINC000102760887 569821944 /nfs/dbraw/zinc/82/19/44/569821944.db2.gz TXRMFAGOPOCSLU-RJGXRXQPSA-N 0 3 477.904 4.916 50 5 JJBAHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4cc([N+](=O)[O-])ccc4Cl)[C@@H]3C2=O)cc1 ZINC000102761681 569822357 /nfs/dbraw/zinc/82/23/57/569822357.db2.gz XFPFRSWGFYOUEZ-FDFHNCONSA-N 0 3 463.877 4.608 50 5 JJBAHN O=C1[C@@H]2C(=C([O-])N1c1cccc3ccccc31)ON(c1ccccc1)[C@H]2c1cccc([N+](=O)[O-])c1 ZINC000137767855 569865173 /nfs/dbraw/zinc/86/51/73/569865173.db2.gz CFLOBRJPPPOLTK-CCDWMCETSA-N 0 3 465.465 4.799 50 5 JJBAHN O=C1C2ON(c3ccccc3)[C@@H](c3cccc([N+](=O)[O-])c3)[C@@H]2C(=O)N1c1cccc2ccccc21 ZINC000137767855 569865174 /nfs/dbraw/zinc/86/51/74/569865174.db2.gz CFLOBRJPPPOLTK-CCDWMCETSA-N 0 3 465.465 4.799 50 5 JJBAHN O=C1[C@@H]2C(=C([O-])N1c1ccc(Cl)cc1)ON(c1ccccc1)[C@@H]2c1cc([N+](=O)[O-])ccc1Cl ZINC000229891273 570041812 /nfs/dbraw/zinc/04/18/12/570041812.db2.gz VFYBMGMVZNNLCW-PWRODBHTSA-N 0 3 484.295 4.953 50 5 JJBAHN O=C1C2ON(c3ccccc3)[C@H](c3cc([N+](=O)[O-])ccc3Cl)[C@@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000229891273 570041813 /nfs/dbraw/zinc/04/18/13/570041813.db2.gz VFYBMGMVZNNLCW-PWRODBHTSA-N 0 3 484.295 4.953 50 5 JJBAHN COc1ccccc1[C@H]1CN(Cc2ccccc2[N+](=O)[O-])C[C@H]1CN(C(=O)C(C)C)C(C)C ZINC000096281801 130028807 /nfs/dbraw/zinc/02/88/07/130028807.db2.gz ZVSUFAZBBWIRMN-GMAHTHKFSA-N 0 3 453.583 4.712 50 5 JJBAHN CN(C)[C@H](CN[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)c1ccccc1 ZINC000009492186 555271476 /nfs/dbraw/zinc/27/14/76/555271476.db2.gz HNFXULIAWRNTKV-PKTZIBPZSA-N 0 3 452.942 4.821 50 5 JJBAHN Cc1cc(N2C(=O)c3oc4cc(C)c(Cl)cc4c(=O)c3C2c2cccc([N+](=O)[O-])c2)no1 ZINC000011614356 555791001 /nfs/dbraw/zinc/79/10/01/555791001.db2.gz ZWOXZKGDNMIASH-IBGZPJMESA-N 0 3 451.822 4.709 50 5 JJBAHN CC(C)c1ccc(Nc2ccc(S(=O)(=O)NCCN(C(C)C)C(C)C)cc2[N+](=O)[O-])cc1 ZINC000013038066 556234656 /nfs/dbraw/zinc/23/46/56/556234656.db2.gz RWPCUODALNUQSQ-UHFFFAOYSA-N 0 3 462.616 4.859 50 5 JJBAHN CN(C)CCNC(=O)C[C@@H](c1cn(Cc2ccccc2)c2ccc([N+](=O)[O-])cc12)c1ccccc1 ZINC000035872547 569719479 /nfs/dbraw/zinc/71/94/79/569719479.db2.gz VMZGDNOAVFAZLX-XMMPIXPASA-N 0 3 470.573 4.798 50 5 JJBAHN O=C1C2ON(c3cccc([N+](=O)[O-])c3)[C@@H](c3ccccc3)[C@@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000136060158 569864571 /nfs/dbraw/zinc/86/45/71/569864571.db2.gz PNRAUUFHWKLZIG-PCCBWWKXSA-N 0 3 484.295 4.953 50 5 JJBAHN O=C1C2ON(c3ccccc3)[C@@H](c3cccc([N+](=O)[O-])c3)[C@@H]2C(=O)N1c1c(Cl)cccc1Cl ZINC000226975694 570039431 /nfs/dbraw/zinc/03/94/31/570039431.db2.gz ZZGDUMSFNPCPEV-IRFCIJBXSA-N 0 3 484.295 4.953 50 5 JJBAHN COc1ccc([C@H]2C([N+](=O)[O-])[C@@H]3C=Cc4ccccc4N3[C@H]2C(=O)c2ccccc2)cc1OC ZINC000230078392 570044560 /nfs/dbraw/zinc/04/45/60/570044560.db2.gz KMDKBKFJBUMUOR-CPPMQADQSA-N 0 3 456.498 4.600 50 5 JJBAHN CN(C)c1ccc([C@H]2C([N+](=O)[O-])[C@@H]3C=Cc4ccccc4N3[C@H]2C(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000248007524 570072654 /nfs/dbraw/zinc/07/26/54/570072654.db2.gz AXVIKEQTAYLUKG-QEGGNFSNSA-N 0 3 484.512 4.557 50 5 JJBAHN COc1ccc([C@H]2C([N+](=O)[O-])[C@@H]3C=Cc4ccccc4N3[C@H]2C(=O)c2ccccc2)cc1OC ZINC000248131849 570075025 /nfs/dbraw/zinc/07/50/25/570075025.db2.gz KMDKBKFJBUMUOR-DTGGKOQTSA-N 0 3 456.498 4.600 50 5 JJBAHN Cc1csc(N2C(=O)c3oc4ccc(Br)cc4c(=O)c3C2c2cccc([N+](=O)[O-])c2)n1 ZINC000008827420 526375105 /nfs/dbraw/zinc/37/51/05/526375105.db2.gz KDLFLTWZTTVLGT-KRWDZBQOSA-N 0 3 498.314 4.978 50 5 JJBAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(-c4cccc([N+](=O)[O-])c4)o3)[C@H]2C(=O)N1c1ccccc1 ZINC000009353150 555117702 /nfs/dbraw/zinc/11/77/02/555117702.db2.gz CJNZCBZZPHBHJA-UBFVSLLYSA-N 0 3 481.464 4.906 50 5 JJBAHN CN(C)[C@@H](CN[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)c1ccccc1 ZINC000009492187 555271470 /nfs/dbraw/zinc/27/14/70/555271470.db2.gz HNFXULIAWRNTKV-XZOQPEGZSA-N 0 3 452.942 4.821 50 5 JJBAHN COc1ccc2[nH]c3c(c2c1)CCN[C@H]3c1ccc(OC)c(COc2ccc([N+](=O)[O-])cc2)c1 ZINC000020111766 555649035 /nfs/dbraw/zinc/64/90/35/555649035.db2.gz UFZICYSLNXTLDG-VWLOTQADSA-N 0 3 459.502 4.907 50 5 biogenic JJBAHN CN(C)[C@H](CN[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1)c1ccccc1 ZINC000012565972 556063660 /nfs/dbraw/zinc/06/36/60/556063660.db2.gz PIDSRHNJSNUDBH-PKTZIBPZSA-N 0 3 497.393 4.930 50 5 JJBAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc([N+](=O)[O-])cc3)[C@H]2C(=O)N1c1c(Cl)cccc1Cl ZINC000018037774 556278642 /nfs/dbraw/zinc/27/86/42/556278642.db2.gz SZNGISRRWCCVBE-SVFBPWRDSA-N 0 3 484.295 4.953 50 5 JJBAHN Cc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)C3ON2c2cccc([N+](=O)[O-])c2)cc1 ZINC000018080552 556284694 /nfs/dbraw/zinc/28/46/94/556284694.db2.gz VGZLNELXZVIVMT-VSKRKVRLSA-N 0 3 463.877 4.608 50 5 JJBAHN COc1cccc([C@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3)C[C@@H]2CN2CCc3ccccc3C2)c1 ZINC000034698618 569647851 /nfs/dbraw/zinc/64/78/51/569647851.db2.gz QVJWKMSGMXTNPA-RPLLCQBOSA-N 0 3 471.557 4.518 50 5 JJBAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc([N+](=O)[O-])cc3)[C@@H]2C(=O)N1c1c(Cl)cccc1Cl ZINC000102734700 569818640 /nfs/dbraw/zinc/81/86/40/569818640.db2.gz SZNGISRRWCCVBE-QKNQBKEWSA-N 0 3 484.295 4.953 50 5 JJBAHN O=C1C2ON(c3cccc([N+](=O)[O-])c3)[C@@H](c3ccccc3Cl)[C@@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000102747080 569820218 /nfs/dbraw/zinc/82/02/18/569820218.db2.gz XHJPICMRXHBYBX-PCCBWWKXSA-N 0 3 484.295 4.953 50 5 JJBAHN Cc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)C3ON2c2cccc([N+](=O)[O-])c2)cc1 ZINC000102755087 569821364 /nfs/dbraw/zinc/82/13/64/569821364.db2.gz VGZLNELXZVIVMT-YPAWHYETSA-N 0 3 463.877 4.608 50 5 JJBAHN CCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4cc([N+](=O)[O-])ccc4Cl)[C@@H]3C2=O)cc1 ZINC000102761361 569822010 /nfs/dbraw/zinc/82/20/10/569822010.db2.gz PTRLPRDADMWKPV-RJGXRXQPSA-N 0 3 493.903 4.698 50 5 JJBAHN CCCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccccc4[N+](=O)[O-])[C@H]3C2=O)cc1 ZINC000102760729 569822099 /nfs/dbraw/zinc/82/20/99/569822099.db2.gz DDQWRVUFIHYGNV-DSNGMDLFSA-N 0 3 487.512 4.825 50 5 JJBAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(Cl)cc3Cl)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 ZINC000137792215 569865357 /nfs/dbraw/zinc/86/53/57/569865357.db2.gz FBYSAYMXYXOGMA-PCCBWWKXSA-N 0 3 484.295 4.953 50 5 JJBAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccccc3[N+](=O)[O-])[C@@H]2C(=O)N1c1cccc(C(F)(F)F)c1 ZINC000137919084 569865533 /nfs/dbraw/zinc/86/55/33/569865533.db2.gz AWEMUSNXCYCNEW-PCCBWWKXSA-N 0 3 483.402 4.665 50 5 JJBAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(-c4cccc([N+](=O)[O-])c4)o3)[C@@H]2C(=O)N1c1ccccc1 ZINC000226986520 570039733 /nfs/dbraw/zinc/03/97/33/570039733.db2.gz CJNZCBZZPHBHJA-CCDWMCETSA-N 0 3 481.464 4.906 50 5 JJBAHN O=C1C2ON(c3cccc([N+](=O)[O-])c3)[C@@H](c3ccc(Cl)cc3Cl)[C@@H]2C(=O)N1c1ccccc1 ZINC000227236048 570040107 /nfs/dbraw/zinc/04/01/07/570040107.db2.gz GJVYHXULAHPFTM-PCCBWWKXSA-N 0 3 484.295 4.953 50 5 JJBAHN COc1ccc([C@H]2C([N+](=O)[O-])[C@H]3C=Cc4ccccc4N3[C@H]2C(=O)c2ccccc2)cc1OC ZINC000229813010 570041283 /nfs/dbraw/zinc/04/12/83/570041283.db2.gz KMDKBKFJBUMUOR-CBRSEMLDSA-N 0 3 456.498 4.600 50 5 JJBAHN CCCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cccc([N+](=O)[O-])c2)cc1 ZINC000245327371 570065093 /nfs/dbraw/zinc/06/50/93/570065093.db2.gz PAKCWQZRQFKPKC-UBFVSLLYSA-N 0 3 487.512 4.825 50 5 JJBAHN CCCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4cccc([N+](=O)[O-])c4)[C@H]3C2=O)cc1 ZINC000245327371 570065094 /nfs/dbraw/zinc/06/50/94/570065094.db2.gz PAKCWQZRQFKPKC-UBFVSLLYSA-N 0 3 487.512 4.825 50 5 JJBAHN CN(C)[C@@H](CN[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)c1ccccc1 ZINC000012631142 195063380 /nfs/dbraw/zinc/06/33/80/195063380.db2.gz HNFXULIAWRNTKV-GOTSBHOMSA-N 0 3 452.942 4.821 50 5 JJBAHN COc1ccc([C@H]2NCCc3c4ccccc4[nH]c32)cc1CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000009730586 555466320 /nfs/dbraw/zinc/46/63/20/555466320.db2.gz VTMALPXYFQHBFL-MUUNZHRXSA-N 0 3 497.599 4.642 50 5 biogenic JJBAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc([N+](=O)[O-])cc3)[C@H]2C(=O)N1c1cccc2ccccc21 ZINC000017952775 556272537 /nfs/dbraw/zinc/27/25/37/556272537.db2.gz RKRXFPUFHNLTPZ-DSNGMDLFSA-N 0 3 465.465 4.799 50 5 JJBAHN CC(C)(C)c1ccc([C@@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)C3ON2c2ccccc2)cc1 ZINC000101143697 569784462 /nfs/dbraw/zinc/78/44/62/569784462.db2.gz HVHAQXLUHGXITG-SMIHKQSGSA-N 0 3 471.513 4.943 50 5 JJBAHN CCc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)C3ON2c2cccc([N+](=O)[O-])c2)cc1 ZINC000101175927 569786091 /nfs/dbraw/zinc/78/60/91/569786091.db2.gz OFCILHBPDUWKEH-ZRBLBEILSA-N 0 3 477.904 4.862 50 5 JJBAHN O=C1C2ON(c3ccccc3)[C@@H](c3cccc4ccccc43)[C@@H]2C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000102707746 569816799 /nfs/dbraw/zinc/81/67/99/569816799.db2.gz HXXMZGFZVHQYJX-CCDWMCETSA-N 0 3 465.465 4.799 50 5 JJBAHN O=C1C2ON(c3ccccc3)[C@H](c3cccc([N+](=O)[O-])c3)[C@@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000102724481 569817625 /nfs/dbraw/zinc/81/76/25/569817625.db2.gz FPWJGVZMUJRDLG-PWRODBHTSA-N 0 3 484.295 4.953 50 5 JJBAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc([N+](=O)[O-])cc3)[C@@H]2C(=O)N1c1ccc2ccccc2c1 ZINC000226984288 570039642 /nfs/dbraw/zinc/03/96/42/570039642.db2.gz HTMKSIUKRBNEIZ-CCDWMCETSA-N 0 3 465.465 4.799 50 5 JJBAHN O=C1C2ON(c3ccccc3)[C@H](c3cccc([N+](=O)[O-])c3)[C@@H]2C(=O)N1c1c(Cl)cccc1Cl ZINC000229971760 570042860 /nfs/dbraw/zinc/04/28/60/570042860.db2.gz ZZGDUMSFNPCPEV-QKNQBKEWSA-N 0 3 484.295 4.953 50 5 JJBAHN CN(C)C(C)(C)CN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000048289494 524032686 /nfs/dbraw/zinc/03/26/86/524032686.db2.gz UCWKUMINFNOTIF-UHFFFAOYSA-N 0 3 478.373 4.572 50 5 JJBAHN Cc1ccc([N-]S(=O)(=O)c2ccc(NC3CC[NH+](CC(C)C)CC3)c([N+](=O)[O-])c2)c(C)c1 ZINC000012508163 525303087 /nfs/dbraw/zinc/30/30/87/525303087.db2.gz FYWKNWMURYBWOK-UHFFFAOYSA-N 0 3 460.600 4.545 50 5 JJBAHN Cc1cc(N2C(=O)c3oc4c5ccccc5ccc4c(=O)c3C2c2cccc([N+](=O)[O-])c2)no1 ZINC000002225168 554103041 /nfs/dbraw/zinc/10/30/41/554103041.db2.gz IYMUKTDMLCYSDA-OAQYLSRUSA-N 0 3 453.410 4.901 50 5 JJBAHN O=C1C(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)[C@@H](c2ccc(F)cc2)N1c1cccc(C(F)(F)F)c1 ZINC000002475748 554225180 /nfs/dbraw/zinc/22/51/80/554225180.db2.gz IZWPYQVYNFHEET-UXHICEINSA-N 0 3 499.376 4.505 50 5 JJBAHN O=C1C2ON(c3ccccc3)[C@H](c3cccc4ccccc43)[C@H]2C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000009075733 554886996 /nfs/dbraw/zinc/88/69/96/554886996.db2.gz HXXMZGFZVHQYJX-UBFVSLLYSA-N 0 3 465.465 4.799 50 5 JJBAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(Cl)c([N+](=O)[O-])c3)[C@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000009289704 555064174 /nfs/dbraw/zinc/06/41/74/555064174.db2.gz FDQDELDTXWZPNF-NJDAHSKKSA-N 0 3 484.295 4.953 50 5 JJBAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc([N+](=O)[O-])cc3)[C@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000009353073 555117729 /nfs/dbraw/zinc/11/77/29/555117729.db2.gz BNRPMTUMQDZPAK-NJDAHSKKSA-N 0 3 484.295 4.953 50 5 JJBAHN COc1ccc([C@@H]2C([N+](=O)[O-])[C@H]3C=Cc4ccccc4N3[C@H]2C(=O)c2ccccc2)cc1OC ZINC000009380292 555142472 /nfs/dbraw/zinc/14/24/72/555142472.db2.gz KMDKBKFJBUMUOR-ATPOPXNDSA-N 0 3 456.498 4.600 50 5 JJBAHN O=C1C2ON(c3ccccc3)[C@@H](c3cc([N+](=O)[O-])ccc3Cl)[C@H]2C(=O)N1c1ccccc1Cl ZINC000013803851 555622214 /nfs/dbraw/zinc/62/22/14/555622214.db2.gz WHVBULNDXWUSGW-QHAWAJNXSA-N 0 3 484.295 4.953 50 5 JJBAHN CCOc1cc(C(=O)NCc2ccccc2-c2ccc(CN(C)C)cc2)c([N+](=O)[O-])cc1OC ZINC000025521581 556219035 /nfs/dbraw/zinc/21/90/35/556219035.db2.gz RXTHHWSWHGUVDH-UHFFFAOYSA-N 0 3 463.534 4.661 50 5 JJBAHN CCCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4cccc([N+](=O)[O-])c4)[C@H]3C2=O)cc1 ZINC000102710841 569817017 /nfs/dbraw/zinc/81/70/17/569817017.db2.gz PAKCWQZRQFKPKC-DSNGMDLFSA-N 0 3 487.512 4.825 50 5 JJBAHN O=C1C2ON(c3cccc([N+](=O)[O-])c3)[C@@H](c3ccc(Cl)cc3Cl)[C@H]2C(=O)N1c1ccccc1 ZINC000102741937 569819090 /nfs/dbraw/zinc/81/90/90/569819090.db2.gz GJVYHXULAHPFTM-QHAWAJNXSA-N 0 3 484.295 4.953 50 5 JJBAHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(Cl)c([N+](=O)[O-])c4)[C@H]3C2=O)c(C)c1 ZINC000102765711 569822870 /nfs/dbraw/zinc/82/28/70/569822870.db2.gz BZPAHXGGPZOEPF-XPWALMASSA-N 0 3 477.904 4.916 50 5 JJBAHN CCc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)C3ON2c2cccc([N+](=O)[O-])c2)cc1 ZINC000227025653 570039662 /nfs/dbraw/zinc/03/96/62/570039662.db2.gz OFCILHBPDUWKEH-YTFSRNRJSA-N 0 3 477.904 4.862 50 5 JJBAHN Cc1ccc(N2C(=O)C3ON(c4cccc([N+](=O)[O-])c4)[C@H](c4ccccc4Cl)[C@@H]3C2=O)cc1 ZINC000229932807 570042532 /nfs/dbraw/zinc/04/25/32/570042532.db2.gz BOPVQJYHDXWSQO-BHDDXSALSA-N 0 3 463.877 4.608 50 5 JJBAHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(Cl)c([N+](=O)[O-])c4)[C@@H]3C2=O)c(C)c1 ZINC000229956536 570042567 /nfs/dbraw/zinc/04/25/67/570042567.db2.gz BZPAHXGGPZOEPF-YTFSRNRJSA-N 0 3 477.904 4.916 50 5 JJBAHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4cc([N+](=O)[O-])ccc4Cl)[C@@H]3C2=O)c(C)c1 ZINC000229956453 570042656 /nfs/dbraw/zinc/04/26/56/570042656.db2.gz TXRMFAGOPOCSLU-YTFSRNRJSA-N 0 3 477.904 4.916 50 5 JJBAHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4cc([N+](=O)[O-])ccc4Cl)[C@H]3C2=O)c(C)c1 ZINC000245247500 570059410 /nfs/dbraw/zinc/05/94/10/570059410.db2.gz TXRMFAGOPOCSLU-DNVJHFABSA-N 0 3 477.904 4.916 50 5 JJBAHN O=C1C2ON(c3cccc([N+](=O)[O-])c3)[C@H](c3ccccc3)[C@H]2C(=O)N1c1cccc2ccccc21 ZINC000245312044 570063720 /nfs/dbraw/zinc/06/37/20/570063720.db2.gz RYZYEFDVPIMKHC-UBFVSLLYSA-N 0 3 465.465 4.799 50 5 JJBAHN Cc1ccc2oc3c(c(=O)c2c1)C(c1cccc([N+](=O)[O-])c1)N(c1nnc(CC(C)C)s1)C3=O ZINC000002399719 524097890 /nfs/dbraw/zinc/09/78/90/524097890.db2.gz IVPIOAAJZGYLQR-FQEVSTJZSA-N 0 3 476.514 4.809 50 5 JJBAHN O=C1c2oc3ccc(Br)cc3c(=O)c2C(c2cccc([N+](=O)[O-])c2)N1c1nccs1 ZINC000008827433 554717665 /nfs/dbraw/zinc/71/76/65/554717665.db2.gz FPJYQWHUVJODCI-MRXNPFEDSA-N 0 3 484.287 4.670 50 5 JJBAHN C[C@@H]1CC[C@@H]2C(=O)N(c3ccc(NC4CCN(Cc5ccccc5)CC4)c([N+](=O)[O-])c3)C(=O)[C@@H]2C1 ZINC000013524114 555486700 /nfs/dbraw/zinc/48/67/00/555486700.db2.gz XFKGQACUIQBSCJ-YFXJRYMSSA-N 0 3 476.577 4.597 50 5 JJBAHN CC(C)NCC(=O)Nc1sc2c(c1C(=O)Nc1cccc([N+](=O)[O-])c1)CC[C@@H](C(C)(C)C)C2 ZINC000015946881 556083993 /nfs/dbraw/zinc/08/39/93/556083993.db2.gz HJBDOTIDFZXVBW-OAHLLOKOSA-N 0 3 472.611 4.996 50 5 JJBAHN COc1cccc([C@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3)C[C@H]2CN2CCc3ccccc3C2)c1 ZINC000034698620 569647837 /nfs/dbraw/zinc/64/78/37/569647837.db2.gz QVJWKMSGMXTNPA-SHQCIBLASA-N 0 3 471.557 4.518 50 5 JJBAHN CN(C)CCNC(=O)C[C@@H](c1cn(Cc2ccccc2)c2ccc([N+](=O)[O-])cc12)c1cccc(F)c1 ZINC000035872683 569719568 /nfs/dbraw/zinc/71/95/68/569719568.db2.gz CUIQFFBXDXAULQ-XMMPIXPASA-N 0 3 488.563 4.937 50 5 JJBAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(Cl)cc3Cl)[C@@H]2C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000102738410 569818860 /nfs/dbraw/zinc/81/88/60/569818860.db2.gz XMYGPLNWPYZVHL-PCCBWWKXSA-N 0 3 484.295 4.953 50 5 JJBAHN Cc1ccc(N2C(=O)C3ON(c4cccc([N+](=O)[O-])c4)[C@@H](c4ccccc4Cl)[C@H]3C2=O)cc1 ZINC000102745377 569819790 /nfs/dbraw/zinc/81/97/90/569819790.db2.gz BOPVQJYHDXWSQO-BHIFYINESA-N 0 3 463.877 4.608 50 5 JJBAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(OC(F)(F)F)cc3)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 ZINC000137884937 569865393 /nfs/dbraw/zinc/86/53/93/569865393.db2.gz JQULETKQGCNLTD-PWRODBHTSA-N 0 3 499.401 4.545 50 5 JJBAHN Cc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)C3ON2c2cccc([N+](=O)[O-])c2)cc1 ZINC000143594469 569867584 /nfs/dbraw/zinc/86/75/84/569867584.db2.gz VGZLNELXZVIVMT-BHDDXSALSA-N 0 3 463.877 4.608 50 5 JJBAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc([N+](=O)[O-])cc3)[C@@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000226993571 570039725 /nfs/dbraw/zinc/03/97/25/570039725.db2.gz BNRPMTUMQDZPAK-PCCBWWKXSA-N 0 3 484.295 4.953 50 5 JJBAHN CCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(Cl)c([N+](=O)[O-])c4)[C@@H]3C2=O)cc1 ZINC000229901819 570042203 /nfs/dbraw/zinc/04/22/03/570042203.db2.gz BFURDYFRTOVTEE-YTFSRNRJSA-N 0 3 493.903 4.698 50 5 JJBAHN O=C1[C@@H]2C(=C([O-])N1c1ccccc1C(F)(F)F)ON(c1ccccc1)[C@@H]2c1ccccc1[N+](=O)[O-] ZINC000229948056 570042675 /nfs/dbraw/zinc/04/26/75/570042675.db2.gz PGIJGILKOFWSEC-PWRODBHTSA-N 0 3 483.402 4.665 50 5 JJBAHN O=C1C2ON(c3ccccc3)[C@H](c3ccccc3[N+](=O)[O-])[C@@H]2C(=O)N1c1ccccc1C(F)(F)F ZINC000229948056 570042676 /nfs/dbraw/zinc/04/26/76/570042676.db2.gz PGIJGILKOFWSEC-PWRODBHTSA-N 0 3 483.402 4.665 50 5 JJBAHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4cc([N+](=O)[O-])ccc4Cl)[C@H]3C2=O)cc1 ZINC000245247784 570059477 /nfs/dbraw/zinc/05/94/77/570059477.db2.gz XFPFRSWGFYOUEZ-YPAWHYETSA-N 0 3 463.877 4.608 50 5 JJBAHN O=C1C2ON(c3cccc([N+](=O)[O-])c3)[C@H](c3ccccc3)[C@@H]2C(=O)N1c1cccc2ccccc21 ZINC000245312042 570063727 /nfs/dbraw/zinc/06/37/27/570063727.db2.gz RYZYEFDVPIMKHC-ISJGIBHGSA-N 0 3 465.465 4.799 50 5 JJBAHN COc1ccc([C@H]2C([N+](=O)[O-])[C@H]3C=Cc4ccccc4N3[C@H]2C(=O)c2ccccc2)cc1OC ZINC000248131853 570074950 /nfs/dbraw/zinc/07/49/50/570074950.db2.gz KMDKBKFJBUMUOR-GGLXGSTNSA-N 0 3 456.498 4.600 50 5 JJBAHN O=C1C2ON(c3ccccc3)[C@H](c3ccccc3[N+](=O)[O-])[C@H]2C(=O)N1c1cccc(C(F)(F)F)c1 ZINC000009288175 194663148 /nfs/dbraw/zinc/66/31/48/194663148.db2.gz AWEMUSNXCYCNEW-NJDAHSKKSA-N 0 3 483.402 4.665 50 5 JJBAHN COc1ccccc1[C@H]1CN(Cc2ccccc2[N+](=O)[O-])C[C@@H]1CN(C(=O)C(C)C)C(C)C ZINC000096281802 130028861 /nfs/dbraw/zinc/02/88/61/130028861.db2.gz ZVSUFAZBBWIRMN-GGAORHGYSA-N 0 3 453.583 4.712 50 5 JJBAHN O=C(Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1)c1cc([N+](=O)[O-])ccc1Cl ZINC000016479881 527226347 /nfs/dbraw/zinc/22/63/47/527226347.db2.gz AMGAANXZODORGG-UHFFFAOYSA-N 0 3 450.926 4.823 50 5 JJBAHN CCc1nnc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3C2c2cccc([N+](=O)[O-])c2)s1 ZINC000002403695 554187291 /nfs/dbraw/zinc/18/72/91/554187291.db2.gz XTFAWEHQVBNDKT-KRWDZBQOSA-N 0 3 468.878 4.518 50 5 JJBAHN Cc1ccnc(N2C(=O)c3oc4ccc(Br)cc4c(=O)c3C2c2cccc([N+](=O)[O-])c2)c1 ZINC000008846142 554744367 /nfs/dbraw/zinc/74/43/67/554744367.db2.gz YHVIIKIXISDOSF-HXUWFJFHSA-N 0 3 492.285 4.917 50 5 JJBAHN O=C1C2ON(c3ccccc3)[C@H](c3cccc([N+](=O)[O-])c3)[C@H]2C(=O)N1c1c(Cl)cccc1Cl ZINC000009075960 554887248 /nfs/dbraw/zinc/88/72/48/554887248.db2.gz ZZGDUMSFNPCPEV-SFHLNBCPSA-N 0 3 484.295 4.953 50 5 JJBAHN O=C1C2ON(c3ccccc3)[C@H](c3cc([N+](=O)[O-])ccc3Cl)[C@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000009286620 555060437 /nfs/dbraw/zinc/06/04/37/555060437.db2.gz VFYBMGMVZNNLCW-NJDAHSKKSA-N 0 3 484.295 4.953 50 5 JJBAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(OC(F)(F)F)cc3)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 ZINC000013787916 555619781 /nfs/dbraw/zinc/61/97/81/555619781.db2.gz JQULETKQGCNLTD-NJDAHSKKSA-N 0 3 499.401 4.545 50 5 JJBAHN O=C1C2ON(c3ccccc3)[C@@H](c3cc([N+](=O)[O-])ccc3Cl)[C@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000018145293 556293945 /nfs/dbraw/zinc/29/39/45/556293945.db2.gz VFYBMGMVZNNLCW-QHAWAJNXSA-N 0 3 484.295 4.953 50 5 JJBAHN COc1cccc([C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3)C[C@@H]2CN2CCc3ccccc3C2)c1 ZINC000034698617 569647845 /nfs/dbraw/zinc/64/78/45/569647845.db2.gz QVJWKMSGMXTNPA-IGKIAQTJSA-N 0 3 471.557 4.518 50 5 JJBAHN O=C1C2ON(c3cccc([N+](=O)[O-])c3)[C@H](c3ccc(Cl)cc3Cl)[C@H]2C(=O)N1c1ccccc1 ZINC000102741940 569819099 /nfs/dbraw/zinc/81/90/99/569819099.db2.gz GJVYHXULAHPFTM-NJDAHSKKSA-N 0 3 484.295 4.953 50 5 JJBAHN O=C1C2ON(c3cccc([N+](=O)[O-])c3)[C@H](c3ccccc3)[C@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000102752140 569820813 /nfs/dbraw/zinc/82/08/13/569820813.db2.gz PNRAUUFHWKLZIG-NJDAHSKKSA-N 0 3 484.295 4.953 50 5 JJBAHN O=C1C2ON(c3cccc([N+](=O)[O-])c3)[C@H](c3ccc(Cl)cc3Cl)[C@@H]2C(=O)N1c1ccccc1 ZINC000137625678 569865044 /nfs/dbraw/zinc/86/50/44/569865044.db2.gz GJVYHXULAHPFTM-PWRODBHTSA-N 0 3 484.295 4.953 50 5 JJBAHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(Cl)c([N+](=O)[O-])c4)[C@H]3C2=O)cc1 ZINC000245246369 570059125 /nfs/dbraw/zinc/05/91/25/570059125.db2.gz JUJYJBMCGMULIJ-YPAWHYETSA-N 0 3 463.877 4.608 50 5 JJBAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc2c3nc4ccccc4n3c(=S)[nH]c2c1 ZINC000020618194 195189936 /nfs/dbraw/zinc/18/99/36/195189936.db2.gz LOWZRKJLCQMDGA-UHFFFAOYSA-N 0 3 467.598 4.719 50 5 JJBAHN Cc1csc(N2C(=O)c3oc4ccc(Br)cc4c(=O)c3C2c2cccc([N+](=O)[O-])c2)n1 ZINC000008827419 526375199 /nfs/dbraw/zinc/37/51/99/526375199.db2.gz KDLFLTWZTTVLGT-QGZVFWFLSA-N 0 3 498.314 4.978 50 5 JJBAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(-c4ccccc4[N+](=O)[O-])o3)[C@H]2C(=O)N1c1ccccc1 ZINC000009185582 554958335 /nfs/dbraw/zinc/95/83/35/554958335.db2.gz MNXKREDWCRGYCZ-UBFVSLLYSA-N 0 3 481.464 4.906 50 5 JJBAHN Cc1csc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3C2c2cccc([N+](=O)[O-])c2)n1 ZINC000009280923 555049687 /nfs/dbraw/zinc/04/96/87/555049687.db2.gz YIGZXXGPSCZASC-QGZVFWFLSA-N 0 3 453.863 4.869 50 5 JJBAHN Cc1csc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3C2c2cccc([N+](=O)[O-])c2)n1 ZINC000009280924 555049797 /nfs/dbraw/zinc/04/97/97/555049797.db2.gz YIGZXXGPSCZASC-KRWDZBQOSA-N 0 3 453.863 4.869 50 5 JJBAHN Cc1cc(N2C(=O)c3oc4cc(C)c(Cl)cc4c(=O)c3C2c2cccc([N+](=O)[O-])c2)no1 ZINC000009318199 555093368 /nfs/dbraw/zinc/09/33/68/555093368.db2.gz ZWOXZKGDNMIASH-LJQANCHMSA-N 0 3 451.822 4.709 50 5 JJBAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(Cl)cc3Cl)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 ZINC000013748800 555607832 /nfs/dbraw/zinc/60/78/32/555607832.db2.gz FBYSAYMXYXOGMA-QHAWAJNXSA-N 0 3 484.295 4.953 50 5 JJBAHN CN(C)[C@@H](CN[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1)c1ccccc1 ZINC000012565969 556063645 /nfs/dbraw/zinc/06/36/45/556063645.db2.gz PIDSRHNJSNUDBH-XZOQPEGZSA-N 0 3 497.393 4.930 50 5 JJBAHN O=C1C2ON(c3ccccc3)[C@H](c3cc([N+](=O)[O-])ccc3Cl)[C@H]2C(=O)N1c1ccccc1Cl ZINC000018088529 556285987 /nfs/dbraw/zinc/28/59/87/556285987.db2.gz WHVBULNDXWUSGW-NJDAHSKKSA-N 0 3 484.295 4.953 50 5 JJBAHN CN(C)Cc1ccc(CN(C)C(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000062590100 569612412 /nfs/dbraw/zinc/61/24/12/569612412.db2.gz XAEVAJXCJSXDLI-UHFFFAOYSA-N 0 3 480.952 4.834 50 5 JJBAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(Cl)cc3Cl)[C@@H]2C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000102738407 569818927 /nfs/dbraw/zinc/81/89/27/569818927.db2.gz XMYGPLNWPYZVHL-PWRODBHTSA-N 0 3 484.295 4.953 50 5 JJBAHN O=C1C2ON(c3cccc([N+](=O)[O-])c3)[C@H](c3ccccc3)[C@@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000102752138 569820853 /nfs/dbraw/zinc/82/08/53/569820853.db2.gz PNRAUUFHWKLZIG-PWRODBHTSA-N 0 3 484.295 4.953 50 5 JJBAHN O=C1C2ON(c3cccc([N+](=O)[O-])c3)[C@@H](c3ccccc3)[C@H]2C(=O)N1c1cccc2ccccc21 ZINC000102756426 569821234 /nfs/dbraw/zinc/82/12/34/569821234.db2.gz RYZYEFDVPIMKHC-DSNGMDLFSA-N 0 3 465.465 4.799 50 5 JJBAHN O=C1[C@@H]2C(=C([O-])N1c1ccccc1C(F)(F)F)ON(c1ccccc1)[C@H]2c1ccccc1[N+](=O)[O-] ZINC000137769867 569865128 /nfs/dbraw/zinc/86/51/28/569865128.db2.gz PGIJGILKOFWSEC-PCCBWWKXSA-N 0 3 483.402 4.665 50 5 JJBAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccccc3[N+](=O)[O-])[C@@H]2C(=O)N1c1ccccc1C(F)(F)F ZINC000137769867 569865129 /nfs/dbraw/zinc/86/51/29/569865129.db2.gz PGIJGILKOFWSEC-PCCBWWKXSA-N 0 3 483.402 4.665 50 5 JJBAHN Cc1ccc2oc3c(c(=O)c2c1)C(c1cccc([N+](=O)[O-])c1)N(c1nnc(CC(C)C)s1)C3=O ZINC000002399720 554184962 /nfs/dbraw/zinc/18/49/62/554184962.db2.gz IVPIOAAJZGYLQR-HXUWFJFHSA-N 0 3 476.514 4.809 50 5 JJBAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(Cl)cc3Cl)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 ZINC000013748798 555607650 /nfs/dbraw/zinc/60/76/50/555607650.db2.gz FBYSAYMXYXOGMA-NJDAHSKKSA-N 0 3 484.295 4.953 50 5 JJBAHN CC1(C)Cc2c(C(N)=O)c(NC(=O)c3cc4c(ccc5ccccc54)oc3=O)sc2C(C)(C)N1 ZINC000012378178 555967026 /nfs/dbraw/zinc/96/70/26/555967026.db2.gz BMLOZMJCWYHZRN-UHFFFAOYSA-N 0 3 475.570 4.518 50 5 JJBAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(-c4ccccc4[N+](=O)[O-])o3)[C@H]2C(=O)N1c1ccccc1 ZINC000017992901 556274795 /nfs/dbraw/zinc/27/47/95/556274795.db2.gz MNXKREDWCRGYCZ-DSNGMDLFSA-N 0 3 481.464 4.906 50 5 JJBAHN O=C1C2ON(c3ccccc3)[C@@H](c3cccc([N+](=O)[O-])c3)[C@H]2C(=O)N1c1c(Cl)cccc1Cl ZINC000018046411 556279945 /nfs/dbraw/zinc/27/99/45/556279945.db2.gz ZZGDUMSFNPCPEV-SVFBPWRDSA-N 0 3 484.295 4.953 50 5 JJBAHN O=C1C2ON(c3ccccc3)[C@@H](c3cccc([N+](=O)[O-])c3)[C@H]2C(=O)N1c1cccc2ccccc21 ZINC000018066847 556282684 /nfs/dbraw/zinc/28/26/84/556282684.db2.gz CFLOBRJPPPOLTK-DSNGMDLFSA-N 0 3 465.465 4.799 50 5 JJBAHN CC(C)(C)c1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)C3ON2c2ccccc2)cc1 ZINC000018102910 556288116 /nfs/dbraw/zinc/28/81/16/556288116.db2.gz HVHAQXLUHGXITG-VXNXHJTFSA-N 0 3 471.513 4.943 50 5 JJBAHN O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)c3c(O)n(-c4ccc(Cl)cc4Cl)c(O)c23)cc1 ZINC000101342829 569793606 /nfs/dbraw/zinc/79/36/06/569793606.db2.gz WMNITMGIFJDFOY-FPOVZHCZSA-N 0 3 481.295 4.684 50 5 JJBAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc([N+](=O)[O-])cc3)[C@@H]2C(=O)N1c1ccc2ccccc2c1 ZINC000102725695 569817671 /nfs/dbraw/zinc/81/76/71/569817671.db2.gz HTMKSIUKRBNEIZ-ISJGIBHGSA-N 0 3 465.465 4.799 50 5 JJBAHN Cc1ccc(N2C(=O)C3ON(c4cccc([N+](=O)[O-])c4)[C@@H](c4ccccc4Cl)[C@@H]3C2=O)cc1 ZINC000102745374 569819782 /nfs/dbraw/zinc/81/97/82/569819782.db2.gz BOPVQJYHDXWSQO-FDFHNCONSA-N 0 3 463.877 4.608 50 5 JJBAHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4cc([N+](=O)[O-])ccc4Cl)[C@H]3C2=O)c(C)c1 ZINC000102760890 569822017 /nfs/dbraw/zinc/82/20/17/569822017.db2.gz TXRMFAGOPOCSLU-XPWALMASSA-N 0 3 477.904 4.916 50 5 JJBAHN CCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4cc([N+](=O)[O-])ccc4Cl)[C@H]3C2=O)cc1 ZINC000102761363 569822128 /nfs/dbraw/zinc/82/21/28/569822128.db2.gz PTRLPRDADMWKPV-XPWALMASSA-N 0 3 493.903 4.698 50 5 JJBAHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(Cl)c([N+](=O)[O-])c4)[C@@H]3C2=O)cc1 ZINC000102765137 569822830 /nfs/dbraw/zinc/82/28/30/569822830.db2.gz JUJYJBMCGMULIJ-FDFHNCONSA-N 0 3 463.877 4.608 50 5 JJBAHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(Cl)c([N+](=O)[O-])c4)[C@H]3C2=O)cc1 ZINC000102765141 569822914 /nfs/dbraw/zinc/82/29/14/569822914.db2.gz JUJYJBMCGMULIJ-BHIFYINESA-N 0 3 463.877 4.608 50 5 JJBAHN CCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(Cl)c([N+](=O)[O-])c4)[C@@H]3C2=O)cc1 ZINC000102766359 569823089 /nfs/dbraw/zinc/82/30/89/569823089.db2.gz BFURDYFRTOVTEE-RJGXRXQPSA-N 0 3 493.903 4.698 50 5 JJBAHN COc1ccccc1[C@@H]1CN(Cc2ccccc2[N+](=O)[O-])C[C@@H]1CN(C(=O)C(C)C)C(C)C ZINC000106681812 569854529 /nfs/dbraw/zinc/85/45/29/569854529.db2.gz ZVSUFAZBBWIRMN-FYYLOGMGSA-N 0 3 453.583 4.712 50 5 JJBAHN O=C1C2ON(c3ccccc3)[C@H](c3cc([N+](=O)[O-])ccc3Cl)[C@@H]2C(=O)N1c1ccccc1Cl ZINC000143596404 569867619 /nfs/dbraw/zinc/86/76/19/569867619.db2.gz WHVBULNDXWUSGW-PWRODBHTSA-N 0 3 484.295 4.953 50 5 JJBAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(Cl)c([N+](=O)[O-])c3)[C@@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000229901580 570041955 /nfs/dbraw/zinc/04/19/55/570041955.db2.gz FDQDELDTXWZPNF-PWRODBHTSA-N 0 3 484.295 4.953 50 5 JJBAHN O=C1C2ON(c3ccccc3)[C@H](c3cccc4ccccc43)[C@@H]2C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000229967721 570042879 /nfs/dbraw/zinc/04/28/79/570042879.db2.gz HXXMZGFZVHQYJX-ISJGIBHGSA-N 0 3 465.465 4.799 50 5 JJBAHN CN(C)c1ccc([C@H]2C([N+](=O)[O-])[C@H]3C=Cc4ccccc4N3[C@H]2C(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000248007529 570072752 /nfs/dbraw/zinc/07/27/52/570072752.db2.gz AXVIKEQTAYLUKG-XDZVQPMWSA-N 0 3 484.512 4.557 50 5 JJBAHN Cc1cc(N2C(=O)c3oc4c5ccccc5ccc4c(=O)c3C2c2cccc([N+](=O)[O-])c2)no1 ZINC000002225166 554102786 /nfs/dbraw/zinc/10/27/86/554102786.db2.gz IYMUKTDMLCYSDA-NRFANRHFSA-N 0 3 453.410 4.901 50 5 JJBAHN Cc1cc(N2C(=O)c3oc4ccc(Br)cc4c(=O)c3C2c2cccc([N+](=O)[O-])c2)no1 ZINC000002324455 554148883 /nfs/dbraw/zinc/14/88/83/554148883.db2.gz UYSBKEVWWFHMKF-SFHVURJKSA-N 0 3 482.246 4.510 50 5 JJBAHN O=C1C(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)[C@@H](c2ccc(F)cc2)N1c1cccc(C(F)(F)F)c1 ZINC000002475747 554225175 /nfs/dbraw/zinc/22/51/75/554225175.db2.gz IZWPYQVYNFHEET-WOJBJXKFSA-N 0 3 499.376 4.505 50 5 JJBAHN O=C1C2ON(c3ccccc3)[C@H](c3cccc([N+](=O)[O-])c3)[C@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000009312795 555088833 /nfs/dbraw/zinc/08/88/33/555088833.db2.gz FPWJGVZMUJRDLG-NJDAHSKKSA-N 0 3 484.295 4.953 50 5 JJBAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(-c4cccc([N+](=O)[O-])c4)o3)[C@H]2C(=O)N1c1ccccc1 ZINC000013513518 555484634 /nfs/dbraw/zinc/48/46/34/555484634.db2.gz CJNZCBZZPHBHJA-DSNGMDLFSA-N 0 3 481.464 4.906 50 5 JJBAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(OC(F)(F)F)cc3)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 ZINC000013787918 555619776 /nfs/dbraw/zinc/61/97/76/555619776.db2.gz JQULETKQGCNLTD-QHAWAJNXSA-N 0 3 499.401 4.545 50 5 JJBAHN CCCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4cccc([N+](=O)[O-])c4)[C@@H]3C2=O)cc1 ZINC000102710840 569816983 /nfs/dbraw/zinc/81/69/83/569816983.db2.gz PAKCWQZRQFKPKC-CCDWMCETSA-N 0 3 487.512 4.825 50 5 JJBAHN O=C(Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000016479887 527227253 /nfs/dbraw/zinc/22/72/53/527227253.db2.gz GNLNLSYHKDDDQP-UHFFFAOYSA-N 0 3 450.926 4.823 50 5 JJBAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc([N+](=O)[O-])cc3)[C@H]2C(=O)N1c1c(Cl)cccc1Cl ZINC000009312561 555088820 /nfs/dbraw/zinc/08/88/20/555088820.db2.gz SZNGISRRWCCVBE-SFHLNBCPSA-N 0 3 484.295 4.953 50 5 JJBAHN CN(C)c1ccc([C@H]2C([N+](=O)[O-])[C@H]3C=Cc4ccccc4N3[C@@H]2C(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000009462455 555231237 /nfs/dbraw/zinc/23/12/37/555231237.db2.gz AXVIKEQTAYLUKG-ZJSPYRCASA-N 0 3 484.512 4.557 50 5 JJBAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc([N+](=O)[O-])cc3)[C@H]2C(=O)N1c1ccc2ccccc2c1 ZINC000013751849 555610058 /nfs/dbraw/zinc/61/00/58/555610058.db2.gz HTMKSIUKRBNEIZ-DSNGMDLFSA-N 0 3 465.465 4.799 50 5 JJBAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc([N+](=O)[O-])cc3)[C@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000017969974 556273648 /nfs/dbraw/zinc/27/36/48/556273648.db2.gz BNRPMTUMQDZPAK-QHAWAJNXSA-N 0 3 484.295 4.953 50 5 JJBAHN CN(C)CCNC(=O)C[C@H](c1cn(Cc2ccccc2)c2ccc([N+](=O)[O-])cc12)c1ccccc1 ZINC000035872546 569719454 /nfs/dbraw/zinc/71/94/54/569719454.db2.gz VMZGDNOAVFAZLX-DEOSSOPVSA-N 0 3 470.573 4.798 50 5 JJBAHN Cc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)C3ON2c2cccc([N+](=O)[O-])c2)cc1 ZINC000101157388 569784848 /nfs/dbraw/zinc/78/48/48/569784848.db2.gz VGZLNELXZVIVMT-BDTNDASRSA-N 0 3 463.877 4.608 50 5 JJBAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(-c4cccc([N+](=O)[O-])c4)o3)[C@@H]2C(=O)N1c1ccccc1 ZINC000102730078 569818078 /nfs/dbraw/zinc/81/80/78/569818078.db2.gz CJNZCBZZPHBHJA-ISJGIBHGSA-N 0 3 481.464 4.906 50 5 JJBAHN O=C1C2ON(c3cccc([N+](=O)[O-])c3)[C@@H](c3ccccc3Cl)[C@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000102747085 569820213 /nfs/dbraw/zinc/82/02/13/569820213.db2.gz XHJPICMRXHBYBX-QHAWAJNXSA-N 0 3 484.295 4.953 50 5 JJBAHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4cc([N+](=O)[O-])ccc4Cl)[C@@H]3C2=O)cc1 ZINC000229924457 570042384 /nfs/dbraw/zinc/04/23/84/570042384.db2.gz XFPFRSWGFYOUEZ-BHDDXSALSA-N 0 3 463.877 4.608 50 5 JJBAHN CCCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccccc4[N+](=O)[O-])[C@@H]3C2=O)cc1 ZINC000229920868 570042404 /nfs/dbraw/zinc/04/24/04/570042404.db2.gz DDQWRVUFIHYGNV-ISJGIBHGSA-N 0 3 487.512 4.825 50 5 JJBAHN COc1ccccc1[C@@H]1CN(Cc2ccccc2[N+](=O)[O-])C[C@H]1CN(C(=O)C(C)C)C(C)C ZINC000245330638 570066978 /nfs/dbraw/zinc/06/69/78/570066978.db2.gz ZVSUFAZBBWIRMN-JTHBVZDNSA-N 0 3 453.583 4.712 50 5 JJBAHN