smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[C@H](Nc1cccc(NC(=O)CN(CC)CC)c1)c1cccc([N+](=O)[O-])c1 ZINC000570709029 823074458 /nfs/dbraw/zinc/07/44/58/823074458.db2.gz YGIYLRKMIZBHIQ-FQEVSTJZSA-N 0 1 384.480 4.438 20 5 GIBDMN Cc1c(NC(=O)[C@H](C)N[C@@H](C)c2cccc(OC(C)C)c2)cccc1[N+](=O)[O-] ZINC000056156797 823091457 /nfs/dbraw/zinc/09/14/57/823091457.db2.gz PSYXVHDMGHRFFS-HOTGVXAUSA-N 0 1 385.464 4.368 20 5 GIBDMN C[C@@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(Br)c1 ZINC000056196908 823100829 /nfs/dbraw/zinc/10/08/29/823100829.db2.gz QFHMVQROUHKEHV-NWDGAFQWSA-N 0 1 392.253 4.035 20 5 GIBDMN COc1ccc(CNCc2cccc(C)n2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000121211861 823139670 /nfs/dbraw/zinc/13/96/70/823139670.db2.gz NSOFUDCGPKYAGM-UHFFFAOYSA-N 0 1 393.443 4.176 20 5 GIBDMN CCOc1cc(CN[C@@H](C)c2ccccc2[N+](=O)[O-])cc(Br)c1O ZINC000459464785 823197532 /nfs/dbraw/zinc/19/75/32/823197532.db2.gz MRSVAWYFFVGLIL-NSHDSACASA-N 0 1 395.253 4.312 20 5 GIBDMN COc1sc(CNC(C)(C)c2ccc([N+](=O)[O-])cc2)cc1Br ZINC000121682636 823229776 /nfs/dbraw/zinc/22/97/76/823229776.db2.gz MKPDHFIEQOIANW-UHFFFAOYSA-N 0 1 385.283 4.452 20 5 GIBDMN CCCn1nccc1C1CCN(c2cc(C)nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000409659879 823276438 /nfs/dbraw/zinc/27/64/38/823276438.db2.gz OUGLETFEBVXDLR-UHFFFAOYSA-N 0 1 379.464 4.442 20 5 GIBDMN O=C(CCN(Cc1ccco1)Cc1cccs1)Nc1ccccc1[N+](=O)[O-] ZINC000409894432 823338034 /nfs/dbraw/zinc/33/80/34/823338034.db2.gz CSZIEZQCOCISQF-UHFFFAOYSA-N 0 1 385.445 4.280 20 5 GIBDMN O=[N+]([O-])c1ccc(-c2nnc(CN3CCC(CCc4ccccc4)CC3)o2)cc1 ZINC000022134826 818775387 /nfs/dbraw/zinc/77/53/87/818775387.db2.gz GBPJQHTYAGYAJL-UHFFFAOYSA-N 0 1 392.459 4.490 20 5 GIBDMN C[C@H](NCc1csc([N+](=O)[O-])c1)[C@H](OC1CCOCC1)c1ccccc1 ZINC000122767941 823409070 /nfs/dbraw/zinc/40/90/70/823409070.db2.gz RSGDTMNHIXEHPG-LIRRHRJNSA-N 0 1 376.478 4.071 20 5 GIBDMN CCO[C@@H]1C[C@H](N(C)Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1(CC)CC ZINC000177402585 823454305 /nfs/dbraw/zinc/45/43/05/823454305.db2.gz IIUAZSZSFHJIBL-DLBZAZTESA-N 0 1 388.468 4.060 20 5 GIBDMN COc1ccccc1[C@H](CNc1ccc([N+](=O)[O-])c(C(C)=O)c1)N1CCCC1 ZINC000573154135 823456246 /nfs/dbraw/zinc/45/62/46/823456246.db2.gz MQQNYQHOMXMQLD-FQEVSTJZSA-N 0 1 383.448 4.055 20 5 GIBDMN COc1ccccc1[C@@H](CNc1ccc([N+](=O)[O-])c(C(C)=O)c1)N1CCCC1 ZINC000573154136 823456280 /nfs/dbraw/zinc/45/62/80/823456280.db2.gz MQQNYQHOMXMQLD-HXUWFJFHSA-N 0 1 383.448 4.055 20 5 GIBDMN N=C1Nc2nc3ccccc3n2[C@H](c2ccc(-c3ccccc3[N+](=O)[O-])s2)N1 ZINC000028795769 820358811 /nfs/dbraw/zinc/35/88/11/820358811.db2.gz YRMWRTTWFNQZCZ-QGZVFWFLSA-N 0 1 390.428 4.170 20 5 GIBDMN Cc1cncc(CNCc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)c1 ZINC000123230633 823481966 /nfs/dbraw/zinc/48/19/66/823481966.db2.gz KDSWXQQJMVNSBU-UHFFFAOYSA-N 0 1 399.454 4.441 20 5 GIBDMN O=C(Nc1nc2ccccc2n1-c1ccccc1)c1ccc([N+](=O)[O-])cc1Cl ZINC000059266366 823488460 /nfs/dbraw/zinc/48/84/60/823488460.db2.gz ZWHPBYRUYUQMSR-UHFFFAOYSA-N 0 1 392.802 4.261 20 5 GIBDMN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc3oc(C(C)C)nc3c2)c1C ZINC000032097684 820897693 /nfs/dbraw/zinc/89/76/93/820897693.db2.gz JVWJOESZJGFFAZ-UHFFFAOYSA-N 0 1 389.433 4.277 20 5 GIBDMN CN(C)[C@H](CNC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)c1cccc(F)c1 ZINC000032730554 820998571 /nfs/dbraw/zinc/99/85/71/820998571.db2.gz QKPKJIGQMGBKGJ-LJQANCHMSA-N 0 1 387.455 4.064 20 5 GIBDMN Cc1cc(S(=O)(=O)Nc2ccc(OC3CCCC3)c(F)c2)ccc1[N+](=O)[O-] ZINC000460823022 823522643 /nfs/dbraw/zinc/52/26/43/823522643.db2.gz IBWTVUMUMAHXQC-UHFFFAOYSA-N 0 1 394.424 4.165 20 5 GIBDMN C[C@H](O)[C@@H]1CCN(Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)C1 ZINC000180870738 821505001 /nfs/dbraw/zinc/50/50/01/821505001.db2.gz IXDJVBWLPBIFBY-DZGCQCFKSA-N 0 1 376.840 4.243 20 5 GIBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@@H](C)c1ccc(-c2ccncc2)cc1 ZINC000180902614 821526026 /nfs/dbraw/zinc/52/60/26/821526026.db2.gz FBBUYBFMOBKDJY-INIZCTEOSA-N 0 1 390.443 4.255 20 5 GIBDMN CCOc1ccc(NC(=O)CN[C@H](C)c2cc3ccccc3o2)c([N+](=O)[O-])c1 ZINC000181757874 821979250 /nfs/dbraw/zinc/97/92/50/821979250.db2.gz LYUXXUIHRZTYIS-CYBMUJFWSA-N 0 1 383.404 4.029 20 5 GIBDMN Cc1ccc([C@@H](C)N[C@@H](C)C(=O)Nc2cccc3ncccc32)cc1[N+](=O)[O-] ZINC000178682176 822402505 /nfs/dbraw/zinc/40/25/05/822402505.db2.gz SPZWYTNGHOHARV-CABCVRRESA-N 0 1 378.432 4.129 20 5 GIBDMN Cc1ccc([C@@H](C)NCc2cc(=O)oc3cc4c(cc23)CCC4)cc1[N+](=O)[O-] ZINC000178686509 822403003 /nfs/dbraw/zinc/40/30/03/822403003.db2.gz GMPBWUDEMHUXOO-CQSZACIVSA-N 0 1 378.428 4.349 20 5 GIBDMN Cc1[nH]c2ccccc2c1C1=CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000178870553 822417887 /nfs/dbraw/zinc/41/78/87/822417887.db2.gz YQJRDBSUGRSUAC-NRFANRHFSA-N 0 1 377.444 4.207 20 5 GIBDMN CN(CCC(=O)Nc1cc(Cl)ccc1Cl)Cc1ccccc1[N+](=O)[O-] ZINC000046599319 822490310 /nfs/dbraw/zinc/49/03/10/822490310.db2.gz OPKSHISFUPKTIX-UHFFFAOYSA-N 0 1 382.247 4.362 20 5 GIBDMN CC(C)Oc1ccc([N+](=O)[O-])cc1CN[C@H](C)c1cccc(-n2cccn2)c1 ZINC000183581825 822497532 /nfs/dbraw/zinc/49/75/32/822497532.db2.gz BDHRJAJBMVWEES-MRXNPFEDSA-N 0 1 380.448 4.419 20 5 GIBDMN O=[N+]([O-])c1ccc(CNCCc2nc(-c3cccc(Cl)c3)no2)c(Cl)c1 ZINC000183768965 822525702 /nfs/dbraw/zinc/52/57/02/822525702.db2.gz BWDFWQYWQORCAT-UHFFFAOYSA-N 0 1 393.230 4.284 20 5 GIBDMN C[C@H](NCCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1nc(-c2ccccc2)cs1 ZINC000184522564 822650412 /nfs/dbraw/zinc/65/04/12/822650412.db2.gz XBMSBRSNHIANHU-AWEZNQCLSA-N 0 1 396.472 4.398 20 5 GIBDMN O=[N+]([O-])c1ccc(CN[C@@H]2CCCOc3ccc(Br)cc32)cc1 ZINC000180416837 822678093 /nfs/dbraw/zinc/67/80/93/822678093.db2.gz CUGQMJBOEVFGOP-MRXNPFEDSA-N 0 1 377.238 4.361 20 5 GIBDMN C[C@H](NCC(=O)Nc1ccc(OC(F)F)c(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000180418962 822678492 /nfs/dbraw/zinc/67/84/92/822678492.db2.gz NHXLJCCTFSKKOV-JTQLQIEISA-N 0 1 399.781 4.139 20 5 GIBDMN CN(C)[C@H](CNC(=O)c1cc2ccccc2c2cccnc12)c1ccsc1 ZINC000049657394 822705022 /nfs/dbraw/zinc/70/50/22/822705022.db2.gz LRONLMGGIRAHOF-HXUWFJFHSA-N 0 1 375.497 4.482 20 5 GIBDMN Cc1sc([C@@H](C)NCCn2ccc([N+](=O)[O-])n2)nc1-c1ccc(Cl)cc1 ZINC000184945056 822716723 /nfs/dbraw/zinc/71/67/23/822716723.db2.gz ROXRFMMHACCVSF-LLVKDONJSA-N 0 1 391.884 4.227 20 5 GIBDMN O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000457380721 822871703 /nfs/dbraw/zinc/87/17/03/822871703.db2.gz URITVLJVOFWYOS-GOSISDBHSA-N 0 1 398.850 4.421 20 5 GIBDMN O=C(Cc1ccccc1[N+](=O)[O-])N1CCCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000457393531 822872632 /nfs/dbraw/zinc/87/26/32/822872632.db2.gz ZQNJOAYPQKUZPD-SFHVURJKSA-N 0 1 398.850 4.421 20 5 GIBDMN O=[N+]([O-])c1cc(CNC2(c3cccc(Br)c3)CCOCC2)cs1 ZINC000055055665 822935620 /nfs/dbraw/zinc/93/56/20/822935620.db2.gz DPVQPRLUCKBCFH-UHFFFAOYSA-N 0 1 397.294 4.214 20 5 GIBDMN O=[N+]([O-])c1ccc(OC2CCN(Cc3ccc(-c4ncco4)cc3F)CC2)cc1 ZINC000411295976 823562914 /nfs/dbraw/zinc/56/29/14/823562914.db2.gz KFEUVHCPOLTCOB-UHFFFAOYSA-N 0 1 397.406 4.432 20 5 GIBDMN COc1cc(CN[C@@H](C)c2ccccn2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000061014272 823572819 /nfs/dbraw/zinc/57/28/19/823572819.db2.gz WIOUDHIMRLYLRZ-INIZCTEOSA-N 0 1 393.443 4.428 20 5 GIBDMN Cc1ccc2nc([C@@H]3CCCN3C(=O)c3c[nH]c4cc([N+](=O)[O-])ccc34)[nH]c2c1 ZINC000061461508 823598923 /nfs/dbraw/zinc/59/89/23/823598923.db2.gz CUPNBENQFIYTGF-IBGZPJMESA-N 0 1 389.415 4.238 20 5 GIBDMN Cc1ccc2nc([C@H]3CCCN3C(=O)N[C@H](C)c3cccc([N+](=O)[O-])c3)[nH]c2c1 ZINC000061865960 823616601 /nfs/dbraw/zinc/61/66/01/823616601.db2.gz QXRGOJMICKQJNB-AUUYWEPGSA-N 0 1 393.447 4.387 20 5 GIBDMN COc1ccc(NC(=O)[C@H](C)N[C@@H](C)c2cc3ccccc3o2)c([N+](=O)[O-])c1 ZINC000191369907 823677697 /nfs/dbraw/zinc/67/76/97/823677697.db2.gz VKZUXBLWZSURGX-STQMWFEESA-N 0 1 383.404 4.027 20 5 GIBDMN COc1ccccc1-c1nc(C2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)no1 ZINC000191634482 823720618 /nfs/dbraw/zinc/72/06/18/823720618.db2.gz OXUVYNLCDTZVAZ-UHFFFAOYSA-N 0 1 394.431 4.033 20 5 GIBDMN O=[N+]([O-])c1ccc(-c2nnc(CN(Cc3ccccc3)CC3CCC3)o2)cc1 ZINC000125843049 823726243 /nfs/dbraw/zinc/72/62/43/823726243.db2.gz ZEEOSSAYXUXTDX-UHFFFAOYSA-N 0 1 378.432 4.447 20 5 GIBDMN C[C@](O)(CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1)C1CCCCC1 ZINC000191674799 823729300 /nfs/dbraw/zinc/72/93/00/823729300.db2.gz JLTTYYIYAHPJIA-IBGZPJMESA-N 0 1 375.494 4.139 20 5 GIBDMN CCn1c(C)nc([N+](=O)[O-])c1N1CCCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000413382279 823764664 /nfs/dbraw/zinc/76/46/64/823764664.db2.gz YLAOJZTVAWSHGG-HNNXBMFYSA-N 0 1 388.859 4.381 20 5 GIBDMN Cc1cc(NC2CCN(Cc3cccnc3)CC2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461961762 823773201 /nfs/dbraw/zinc/77/32/01/823773201.db2.gz ZAEKNALRYMQGAB-UHFFFAOYSA-N 0 1 394.397 4.394 20 5 GIBDMN CC[C@@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1C)c1ccccc1OCC(=O)N(C)C ZINC000165689789 823858918 /nfs/dbraw/zinc/85/89/18/823858918.db2.gz LCLQGTOHWQXQBM-QFBILLFUSA-N 0 1 399.491 4.172 20 5 GIBDMN C[C@@H](NCc1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@H]1COc2ccccc21 ZINC000169074828 823907832 /nfs/dbraw/zinc/90/78/32/823907832.db2.gz YWLZHHRCVAQHEN-FZKQIMNGSA-N 0 1 381.457 4.373 20 5 GIBDMN C[C@H](NCc1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@@H]1COc2ccccc21 ZINC000169074570 823907894 /nfs/dbraw/zinc/90/78/94/823907894.db2.gz YWLZHHRCVAQHEN-UGSOOPFHSA-N 0 1 381.457 4.373 20 5 GIBDMN CC[C@@H](NCc1cc(Cl)cc(S(=O)(=O)CC)c1)c1cccc([N+](=O)[O-])c1 ZINC000414212285 823930205 /nfs/dbraw/zinc/93/02/05/823930205.db2.gz QUMMEAXCNLRGOE-GOSISDBHSA-N 0 1 396.896 4.283 20 5 GIBDMN C[N@@H+](CCCC(=O)[O-])Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000414637057 824020191 /nfs/dbraw/zinc/02/01/91/824020191.db2.gz LMFIVFUERLJANJ-UHFFFAOYSA-N 0 1 378.812 4.337 20 5 GIBDMN C[C@@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccccc1Br ZINC000056196191 823100818 /nfs/dbraw/zinc/10/08/18/823100818.db2.gz LDTJVAFADGOVOL-VXGBXAGGSA-N 0 1 392.253 4.035 20 5 GIBDMN Cc1nn(CN2CCC[C@@H](c3nc4ccccc4o3)C2)c2cc([N+](=O)[O-])ccc12 ZINC000121097834 823117838 /nfs/dbraw/zinc/11/78/38/823117838.db2.gz LUKWFDLFDWULFV-OAHLLOKOSA-N 0 1 391.431 4.231 20 5 GIBDMN CCc1[nH]nc(C(=O)N([C@@H](C)c2cccc(C(F)(F)F)c2)C2CC2)c1[N+](=O)[O-] ZINC000188268373 823211581 /nfs/dbraw/zinc/21/15/81/823211581.db2.gz XEKPFWWLXMWOLT-JTQLQIEISA-N 0 1 396.369 4.265 20 5 GIBDMN COCC1(C)CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1 ZINC000459624837 823231713 /nfs/dbraw/zinc/23/17/13/823231713.db2.gz VEJVNKGKPYNFRE-UHFFFAOYSA-N 0 1 395.253 4.086 20 5 GIBDMN C[C@H](CCCc1cccnc1)N[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000459646804 823237827 /nfs/dbraw/zinc/23/78/27/823237827.db2.gz SRAYVABCGITPNM-CABCVRRESA-N 0 1 381.436 4.102 20 5 GIBDMN CN(c1ccccc1)c1ccc(CNCc2n[nH]c(C(C)(C)C)n2)cc1[N+](=O)[O-] ZINC000459699022 823252837 /nfs/dbraw/zinc/25/28/37/823252837.db2.gz IZELRZYNSFAAPT-UHFFFAOYSA-N 0 1 394.479 4.068 20 5 GIBDMN O=C(CCN1CCC[C@H]1c1nc2ccccc2s1)Nc1ccc([N+](=O)[O-])cc1 ZINC000121947220 823282918 /nfs/dbraw/zinc/28/29/18/823282918.db2.gz MRWPYIHPJGPAMX-KRWDZBQOSA-N 0 1 396.472 4.370 20 5 GIBDMN COc1ccc(C)cc1[C@@H](C)N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000015499711 818330594 /nfs/dbraw/zinc/33/05/94/818330594.db2.gz DHSYQDXQWLXUSP-OLZOCXBDSA-N 0 1 391.855 4.243 20 5 GIBDMN O=C(CCN(Cc1ccco1)Cc1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000409877438 823333629 /nfs/dbraw/zinc/33/36/29/823333629.db2.gz CLLGLJAGAXBTHH-UHFFFAOYSA-N 0 1 379.416 4.219 20 5 GIBDMN O=[N+]([O-])c1ccc(Nc2ccccc2)c(NS(=O)(=O)c2ccc(F)cc2)c1 ZINC000016099413 818393318 /nfs/dbraw/zinc/39/33/18/818393318.db2.gz BSTKCYAXWGDEMX-UHFFFAOYSA-N 0 1 387.392 4.278 20 5 GIBDMN C[C@H](N[C@@H]1CCSc2ccc(Cl)cc21)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000025215372 819944074 /nfs/dbraw/zinc/94/40/74/819944074.db2.gz DRWRDLPFMHJXHZ-MEDUHNTESA-N 0 1 391.880 4.402 20 5 GIBDMN Cc1cc(-c2noc(C(C)(C)c3ccc([N+](=O)[O-])cc3F)n2)cc2nc[nH]c21 ZINC000573246556 823470153 /nfs/dbraw/zinc/47/01/53/823470153.db2.gz QUOYYEFSEAZBCT-UHFFFAOYSA-N 0 1 381.367 4.295 20 5 GIBDMN Cc1csc(-c2cccc(S(=O)(=O)Nc3ccc([N+](=O)[O-])c(C)c3)c2)n1 ZINC000410355571 823472132 /nfs/dbraw/zinc/47/21/32/823472132.db2.gz UMSVBOGKBJKKOO-UHFFFAOYSA-N 0 1 389.458 4.136 20 5 GIBDMN N=C1Nc2nc3ccccc3n2[C@@H](c2ccc(-c3ccccc3[N+](=O)[O-])s2)N1 ZINC000028795768 820358923 /nfs/dbraw/zinc/35/89/23/820358923.db2.gz YRMWRTTWFNQZCZ-KRWDZBQOSA-N 0 1 390.428 4.170 20 5 GIBDMN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccccc1Cc1ccccc1 ZINC000032586498 820972983 /nfs/dbraw/zinc/97/29/83/820972983.db2.gz VXFPEOMRNRRPHO-UHFFFAOYSA-N 0 1 382.441 4.295 20 5 GIBDMN CC(C)C(=O)N1CCCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000123562904 823521637 /nfs/dbraw/zinc/52/16/37/823521637.db2.gz JWXZBVPLBLXDDG-UHFFFAOYSA-N 0 1 387.505 4.014 20 5 GIBDMN C[C@@H](N[C@@H](C)CCc1ccccc1[N+](=O)[O-])c1nc(-c2cccc(F)c2)no1 ZINC000190039962 823529721 /nfs/dbraw/zinc/52/97/21/823529721.db2.gz XMNBHTZEVKCSGL-UONOGXRCSA-N 0 1 384.411 4.456 20 5 GIBDMN C[C@@H](N[C@@H](C)c1ccc(-c2ccncc2)cc1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000180924913 821541097 /nfs/dbraw/zinc/54/10/97/821541097.db2.gz COCJXKIVBRHKKR-JKSUJKDBSA-N 0 1 390.443 4.335 20 5 GIBDMN C[C@@H](NC(=O)Nc1ccc2nc(C(F)F)[nH]c2c1)c1cccc([N+](=O)[O-])c1 ZINC000181090770 821627840 /nfs/dbraw/zinc/62/78/40/821627840.db2.gz KYHNINOBYRUDFR-SECBINFHSA-N 0 1 375.335 4.291 20 5 GIBDMN Cc1ccc2[nH]c([C@H]3CCCN(Cc4nc5cc([N+](=O)[O-])ccc5o4)C3)nc2c1 ZINC000181150835 821665632 /nfs/dbraw/zinc/66/56/32/821665632.db2.gz HCFFBVTWWCWSPG-AWEZNQCLSA-N 0 1 391.431 4.300 20 5 GIBDMN Cc1ccc2nc([C@H]3CCCN(Cc4nc5cc([N+](=O)[O-])ccc5o4)C3)[nH]c2c1 ZINC000181150835 821665638 /nfs/dbraw/zinc/66/56/38/821665638.db2.gz HCFFBVTWWCWSPG-AWEZNQCLSA-N 0 1 391.431 4.300 20 5 GIBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](C)c1ccc(-c2cccnc2)cc1 ZINC000181298503 821742865 /nfs/dbraw/zinc/74/28/65/821742865.db2.gz ZFJJVEQJSJVUFZ-INIZCTEOSA-N 0 1 390.443 4.255 20 5 GIBDMN C[C@H](NCc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccc(Oc2ccccc2)cc1 ZINC000181808762 822001663 /nfs/dbraw/zinc/00/16/63/822001663.db2.gz DYQAHSQDPBLJMQ-HNNXBMFYSA-N 0 1 391.427 4.337 20 5 GIBDMN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000181938648 822040497 /nfs/dbraw/zinc/04/04/97/822040497.db2.gz MLRYXGQYIZHIHF-UYAOXDASSA-N 0 1 399.516 4.271 20 5 GIBDMN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000182159248 822123057 /nfs/dbraw/zinc/12/30/57/822123057.db2.gz USTRFLTZCHCREO-PXNSSMCTSA-N 0 1 395.459 4.043 20 5 GIBDMN CC[C@@H](NCC(=O)Nc1ccccc1Br)c1cccc([N+](=O)[O-])c1 ZINC000178168035 822339273 /nfs/dbraw/zinc/33/92/73/822339273.db2.gz IJYSGHHVCSFTOC-OAHLLOKOSA-N 0 1 392.253 4.037 20 5 GIBDMN O=C(Nc1nc2ccc(C(F)(F)F)cc2[nH]1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000178634207 822398099 /nfs/dbraw/zinc/39/80/99/822398099.db2.gz HXYHWJZRWYUHPS-UHFFFAOYSA-N 0 1 384.701 4.396 20 5 GIBDMN Cc1ccc([C@@H](C)N[C@H](C)C(=O)Nc2cccc3ncccc32)cc1[N+](=O)[O-] ZINC000178682205 822402417 /nfs/dbraw/zinc/40/24/17/822402417.db2.gz SPZWYTNGHOHARV-HUUCEWRRSA-N 0 1 378.432 4.129 20 5 GIBDMN Cc1ccc([C@H](C)N[C@@H](C)C(=O)Nc2cc(Cl)ccc2F)cc1[N+](=O)[O-] ZINC000178683457 822402643 /nfs/dbraw/zinc/40/26/43/822402643.db2.gz MSNNWIGDEYYWPB-RYUDHWBXSA-N 0 1 379.819 4.374 20 5 GIBDMN Cc1cc([N+](=O)[O-])ccc1CNCc1ccc(OCCOc2ccccc2)nc1 ZINC000183450288 822476767 /nfs/dbraw/zinc/47/67/67/822476767.db2.gz CLOYPLKXVKLJST-UHFFFAOYSA-N 0 1 393.443 4.046 20 5 GIBDMN C[C@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1cccc(OC(F)F)c1 ZINC000179574738 822505673 /nfs/dbraw/zinc/50/56/73/822505673.db2.gz RTAUJADAVIAHNQ-JTQLQIEISA-N 0 1 399.781 4.139 20 5 GIBDMN O=[N+]([O-])c1ccc(N2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)nc1-c1ccccc1 ZINC000179597154 822509855 /nfs/dbraw/zinc/50/98/55/822509855.db2.gz QMQSTVQDRGXJQB-MRXNPFEDSA-N 0 1 390.447 4.036 20 5 GIBDMN O=[N+]([O-])c1ccc(N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)nc1-c1ccccc1 ZINC000179597154 822509857 /nfs/dbraw/zinc/50/98/57/822509857.db2.gz QMQSTVQDRGXJQB-MRXNPFEDSA-N 0 1 390.447 4.036 20 5 GIBDMN O=C(CNC1(c2cccc(Cl)c2)CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000179667223 822523430 /nfs/dbraw/zinc/52/34/30/822523430.db2.gz ONIRWPJGPXGHOO-UHFFFAOYSA-N 0 1 380.231 4.119 20 5 GIBDMN COc1cc(CN2CCC[C@@H](c3nc4ccccc4o3)C2)c([N+](=O)[O-])cc1F ZINC000184240295 822601307 /nfs/dbraw/zinc/60/13/07/822601307.db2.gz BBIQVSIWSHRURG-CYBMUJFWSA-N 0 1 385.395 4.263 20 5 GIBDMN COc1ccc2oc([C@@H](C)NCC(=O)Nc3cc([N+](=O)[O-])ccc3C)c(C)c2c1 ZINC000184330601 822616238 /nfs/dbraw/zinc/61/62/38/822616238.db2.gz OPLOKZSHIKCWGY-CQSZACIVSA-N 0 1 397.431 4.256 20 5 GIBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@@H](C)c1nc(C(C)(C)C)cs1 ZINC000184486418 822644109 /nfs/dbraw/zinc/64/41/09/822644109.db2.gz HITXLZMWWVFEAP-ZDUSSCGKSA-N 0 1 390.509 4.337 20 5 GIBDMN O=C(Nc1nc(C2CCC2)n[nH]1)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000184599663 822663841 /nfs/dbraw/zinc/66/38/41/822663841.db2.gz YNLMCNKYWZQZEO-UHFFFAOYSA-N 0 1 395.444 4.384 20 5 GIBDMN O=C(Nc1n[nH]c(C2CCC2)n1)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000184599663 822663843 /nfs/dbraw/zinc/66/38/43/822663843.db2.gz YNLMCNKYWZQZEO-UHFFFAOYSA-N 0 1 395.444 4.384 20 5 GIBDMN C[C@H](c1ccc(Cl)cc1)N(C)C(=O)CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180423006 822679061 /nfs/dbraw/zinc/67/90/61/822679061.db2.gz ZCASJQQWVULZFN-UONOGXRCSA-N 0 1 375.856 4.118 20 5 GIBDMN C[C@@H](NCC(=O)N(C)[C@@H](C)c1cc2ccccc2o1)c1cccc([N+](=O)[O-])c1 ZINC000180440764 822682560 /nfs/dbraw/zinc/68/25/60/822682560.db2.gz LCQZZYXOMIUGMR-CABCVRRESA-N 0 1 381.432 4.211 20 5 GIBDMN Cc1nc2ccc(NC(=O)c3csc(-c4ccc([N+](=O)[O-])cc4)n3)cc2[nH]1 ZINC000050556312 822733451 /nfs/dbraw/zinc/73/34/51/822733451.db2.gz NHIKRFLQKRUANH-UHFFFAOYSA-N 0 1 379.401 4.155 20 5 GIBDMN C[C@@H](NCc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccc(Cl)c2ccccc21 ZINC000185396796 822778417 /nfs/dbraw/zinc/77/84/17/822778417.db2.gz KABXVRNWGRVLQN-GFCCVEGCSA-N 0 1 383.835 4.351 20 5 GIBDMN O=C(Nc1cc(Cl)cc(Br)c1O)c1ccc([N+](=O)[O-])s1 ZINC000174913833 822855102 /nfs/dbraw/zinc/85/51/02/822855102.db2.gz MENIPWFQLKCVKD-UHFFFAOYSA-N 0 1 377.603 4.030 20 5 GIBDMN O=C(NC1CCN(Cc2ccccn2)CC1)c1cc2ccccc2c2cccnc12 ZINC000053991262 822855946 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397.523 4.416 20 5 GIBDMN CCOc1ccc(C(=O)N2CCC[C@H]2c2nc3ccc(C)cc3[nH]2)cc1[N+](=O)[O-] ZINC000061232409 823585914 /nfs/dbraw/zinc/58/59/14/823585914.db2.gz DPXPRHZLIRYUFT-KRWDZBQOSA-N 0 1 394.431 4.156 20 5 GIBDMN Cc1ccc2nc([C@@H]3CCCN3C(=O)CSc3ccc([N+](=O)[O-])cc3)[nH]c2c1 ZINC000061233823 823586133 /nfs/dbraw/zinc/58/61/33/823586133.db2.gz QSUZBLPJCIYEEB-SFHVURJKSA-N 0 1 396.472 4.235 20 5 GIBDMN CC(C)(C)OC(=O)CC[C@@H]1CCCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000412061470 823625093 /nfs/dbraw/zinc/62/50/93/823625093.db2.gz HROYBEPGCHRYAN-AWEZNQCLSA-N 0 1 389.452 4.070 20 5 GIBDMN C[C@@H](N[C@@H](C)CCc1ccccc1[N+](=O)[O-])c1nc(Cc2ccccc2)no1 ZINC000191599838 823708476 /nfs/dbraw/zinc/70/84/76/823708476.db2.gz SXMUPSHRPQWWRX-JKSUJKDBSA-N 0 1 380.448 4.241 20 5 GIBDMN Cc1ccc([C@H](C)NCc2cccc(C(=O)NCc3ccco3)c2)cc1[N+](=O)[O-] ZINC000165002392 823829353 /nfs/dbraw/zinc/82/93/53/823829353.db2.gz CVIVMNLWCFDXIB-INIZCTEOSA-N 0 1 393.443 4.277 20 5 GIBDMN CC[C@@H](NCc1cccc(C(=O)NCc2ccco2)c1)c1cccc([N+](=O)[O-])c1 ZINC000165015965 823830460 /nfs/dbraw/zinc/83/04/60/823830460.db2.gz QCRRTDHJGWILQV-OAQYLSRUSA-N 0 1 393.443 4.359 20 5 GIBDMN Cc1ccccc1[C@@H]1CN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CCO1 ZINC000126429376 823865163 /nfs/dbraw/zinc/86/51/63/823865163.db2.gz BLHFMINBUADDLY-NRFANRHFSA-N 0 1 393.443 4.174 20 5 GIBDMN Cc1ccc2nc([C@@H]3CCCN(C(=O)c4cc(Cl)cc([N+](=O)[O-])c4)C3)[nH]c2c1 ZINC000126574512 823902964 /nfs/dbraw/zinc/90/29/64/823902964.db2.gz DZXVMXAVDQEYCQ-CYBMUJFWSA-N 0 1 398.850 4.453 20 5 GIBDMN C[C@H]1CC[N@@H+](Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C[C@@H]1C(=O)[O-] ZINC000575123657 823917345 /nfs/dbraw/zinc/91/73/45/823917345.db2.gz RRQBNHFOOKGZPZ-GUYCJALGSA-N 0 1 388.395 4.069 20 5 GIBDMN O=C(Nc1cccc(CN2CCSCC2)c1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000175948962 823080188 /nfs/dbraw/zinc/08/01/88/823080188.db2.gz YJMIEKBJCDNIHB-UHFFFAOYSA-N 0 1 391.880 4.049 20 5 GIBDMN Cc1c(NC(=O)[C@H](C)N[C@H](C)c2ccc(OC(C)C)cc2)cccc1[N+](=O)[O-] ZINC000056163519 823093820 /nfs/dbraw/zinc/09/38/20/823093820.db2.gz QMIFOMPIZOURMZ-CVEARBPZSA-N 0 1 385.464 4.368 20 5 GIBDMN O=C(Nc1ccc2nc(-c3ccccn3)[nH]c2c1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000176460851 823212381 /nfs/dbraw/zinc/21/23/81/823212381.db2.gz VFHBSRUOXMUPIC-UHFFFAOYSA-N 0 1 393.790 4.439 20 5 GIBDMN Cc1cc(N(C)CC(=O)N(C)[C@H](C)c2ccccc2)c2cc([N+](=O)[O-])ccc2n1 ZINC000409528409 823242236 /nfs/dbraw/zinc/24/22/36/823242236.db2.gz PGXGSBXXCMCPEY-MRXNPFEDSA-N 0 1 392.459 4.107 20 5 GIBDMN Cc1cc(Cl)c(S(=O)(=O)Nc2cccc(-c3cnco3)c2)cc1[N+](=O)[O-] ZINC000176640654 823255243 /nfs/dbraw/zinc/25/52/43/823255243.db2.gz GLRWDNOGMKUULB-UHFFFAOYSA-N 0 1 393.808 4.012 20 5 GIBDMN O=[N+]([O-])c1ccc2oc(CN3CCCCC[C@H]3C[C@H](O)c3ccco3)nc2c1 ZINC000121824284 823258491 /nfs/dbraw/zinc/25/84/91/823258491.db2.gz AZGZARKHDNEHSZ-YOEHRIQHSA-N 0 1 385.420 4.197 20 5 GIBDMN C[C@@H](Sc1nc2ccc(Cl)cc2[nH]1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000004406849 817524724 /nfs/dbraw/zinc/52/47/24/817524724.db2.gz BXYJWDJPPWTXCA-SECBINFHSA-N 0 1 376.825 4.244 20 5 GIBDMN Cc1[nH]c(SCC(=O)Nc2c(C)cccc2[N+](=O)[O-])nc1Cc1ccccc1 ZINC000004492361 817527911 /nfs/dbraw/zinc/52/79/11/817527911.db2.gz WTEAENRSGAHAJM-UHFFFAOYSA-N 0 1 396.472 4.256 20 5 GIBDMN C[C@H](Sc1nc(-c2ccccc2)n[nH]1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000005505150 817589478 /nfs/dbraw/zinc/58/94/78/817589478.db2.gz KNBHDTJLBUKZRA-NSHDSACASA-N 0 1 394.416 4.283 20 5 GIBDMN C[C@H](Sc1nc(C=Cc2ccccc2)n[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000012834955 818186208 /nfs/dbraw/zinc/18/62/08/818186208.db2.gz GLLKTWFIZUUWKD-WHGQRRHOSA-N 0 1 395.444 4.003 20 5 GIBDMN O=C(N[C@@H](c1ccccc1)c1ccc2nc[nH]c2c1)c1ccc([N+](=O)[O-])s1 ZINC000023388942 818932300 /nfs/dbraw/zinc/93/23/00/818932300.db2.gz FXHAQENALHKGDL-SFHVURJKSA-N 0 1 378.413 4.052 20 5 GIBDMN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N(C)CC1(c2ccccc2)CC1 ZINC000189298078 823389825 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GIBDMN CCOc1ccc(C(=O)Nc2ccc3nc(C(C)(C)C)[nH]c3c2)cc1[N+](=O)[O-] ZINC000032465563 820950635 /nfs/dbraw/zinc/95/06/35/820950635.db2.gz ROWRDRKNJXCNSQ-UHFFFAOYSA-N 0 1 382.420 4.420 20 5 GIBDMN CC(C)(C)c1nc2ccc(NC(=O)CSc3ccc([N+](=O)[O-])cc3)cc2[nH]1 ZINC000032465352 820950870 /nfs/dbraw/zinc/95/08/70/820950870.db2.gz DSXYWXSHHSYNEB-UHFFFAOYSA-N 0 1 384.461 4.499 20 5 GIBDMN C[C@@H](N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccc(-c2ccncc2)cc1 ZINC000180892156 821518579 /nfs/dbraw/zinc/51/85/79/821518579.db2.gz YWPNPGQAHYZZFO-CVEARBPZSA-N 0 1 390.443 4.335 20 5 GIBDMN C[C@@H](N[C@H](C)c1ccc(-c2ccncc2)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000180908242 821529288 /nfs/dbraw/zinc/52/92/88/821529288.db2.gz HJRYOQAKBPQQNM-HZPDHXFCSA-N 0 1 390.443 4.335 20 5 GIBDMN Cc1ccc([C@H](C)N[C@@H](C)C(=O)N2CCC[C@@H]2c2cccs2)cc1[N+](=O)[O-] ZINC000181810551 822002202 /nfs/dbraw/zinc/00/22/02/822002202.db2.gz LTWNWQLJGHZMBW-YQQAZPJKSA-N 0 1 387.505 4.368 20 5 GIBDMN Cc1ccc([C@H](C)N[C@H](C)C(=O)N2CCC[C@@H]2c2cccs2)cc1[N+](=O)[O-] ZINC000181810588 822002215 /nfs/dbraw/zinc/00/22/15/822002215.db2.gz LTWNWQLJGHZMBW-ZMSDIMECSA-N 0 1 387.505 4.368 20 5 GIBDMN CC(C)Oc1ccc([C@H](C)NCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000182625680 822328462 /nfs/dbraw/zinc/32/84/62/822328462.db2.gz DAGGOLOOLDXVGJ-ZDUSSCGKSA-N 0 1 391.855 4.325 20 5 GIBDMN CCOc1cccc2cc([C@@H](C)NCC(=O)N(C)c3ccc([N+](=O)[O-])cc3)oc21 ZINC000182663618 822343433 /nfs/dbraw/zinc/34/34/33/822343433.db2.gz NXCRMRCOMQADJH-CQSZACIVSA-N 0 1 397.431 4.053 20 5 GIBDMN Cc1nc(-c2ccccc2)sc1[C@@H](C)NCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000178206827 822352423 /nfs/dbraw/zinc/35/24/23/822352423.db2.gz HPZDYMZEBHFORB-CYBMUJFWSA-N 0 1 396.472 4.316 20 5 GIBDMN C[C@H](NCc1cccc(NC(=O)c2ccncc2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000178648438 822399398 /nfs/dbraw/zinc/39/93/98/822399398.db2.gz BLCYYGRCXZIPHC-HNNXBMFYSA-N 0 1 376.416 4.093 20 5 GIBDMN CCOc1ccc([C@H](C)NCc2ccc(NC(=O)C(C)C)cc2)cc1[N+](=O)[O-] ZINC000179395338 822476521 /nfs/dbraw/zinc/47/65/21/822476521.db2.gz MFMJTJAWKGHSAY-HNNXBMFYSA-N 0 1 385.464 4.439 20 5 GIBDMN COc1ccc(NC(=O)[C@@H](C)N[C@@H](C)c2oc3ccccc3c2C)c([N+](=O)[O-])c1 ZINC000183593494 822498740 /nfs/dbraw/zinc/49/87/40/822498740.db2.gz MRUNUGYRVUIGJX-UONOGXRCSA-N 0 1 397.431 4.336 20 5 GIBDMN CSc1ccc(C(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)cc1[N+](=O)[O-] ZINC000179846062 822565322 /nfs/dbraw/zinc/56/53/22/822565322.db2.gz YYWGYKYUXZYOQQ-UHFFFAOYSA-N 0 1 378.360 4.383 20 5 GIBDMN COc1ccc2oc([C@H](C)NCC(=O)Nc3cc([N+](=O)[O-])ccc3C)c(C)c2c1 ZINC000184330582 822616294 /nfs/dbraw/zinc/61/62/94/822616294.db2.gz OPLOKZSHIKCWGY-AWEZNQCLSA-N 0 1 397.431 4.256 20 5 GIBDMN O=C(CN[C@H](c1cccc(C(F)(F)F)c1)C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000180139273 822624381 /nfs/dbraw/zinc/62/43/81/822624381.db2.gz KDXURMNVDYVEAL-SFHVURJKSA-N 0 1 393.365 4.293 20 5 GIBDMN CCc1c(NC(=O)[C@H](CC)Cc2ccc([N+](=O)[O-])cc2)[nH]nc1-c1ccncc1 ZINC000184753714 822686269 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ZINC000191943844 823819626 /nfs/dbraw/zinc/81/96/26/823819626.db2.gz MOIFRWRBFIUFKK-UHFFFAOYSA-N 0 1 392.337 4.066 20 5 GIBDMN O=[N+]([O-])c1ccc(NC[C@@H](c2ccco2)N2CCCCC2)cc1OC(F)F ZINC000462114432 823832506 /nfs/dbraw/zinc/83/25/06/823832506.db2.gz WHNZBYTZHOXEAO-HNNXBMFYSA-N 0 1 381.379 4.428 20 5 GIBDMN Cc1ccc(CN[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(OC[C@H]2CCOC2)c1 ZINC000167183716 823888179 /nfs/dbraw/zinc/88/81/79/823888179.db2.gz UJHHOIGOEDTDKZ-ROUUACIJSA-N 0 1 384.476 4.478 20 5 GIBDMN C[C@@H]1CC[N@@H+](Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C[C@@H]1C(=O)[O-] ZINC000575123656 823917757 /nfs/dbraw/zinc/91/77/57/823917757.db2.gz RRQBNHFOOKGZPZ-DYVFJYSZSA-N 0 1 388.395 4.069 20 5 GIBDMN CCn1ccnc1NCc1cc(OC)c(OCc2ccccc2)cc1[N+](=O)[O-] ZINC000414302847 823954046 /nfs/dbraw/zinc/95/40/46/823954046.db2.gz OSUBUGSZSCAYEC-UHFFFAOYSA-N 0 1 382.420 4.011 20 5 GIBDMN CC(C)NC(=O)[C@@H](C)NCc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000414545925 824007485 /nfs/dbraw/zinc/00/74/85/824007485.db2.gz 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819060994 /nfs/dbraw/zinc/06/09/94/819060994.db2.gz HRYYNTWFCFPKLK-UHFFFAOYSA-N 0 1 398.469 4.437 20 5 GIBDMN CC[C@](C)(O)CN(Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)Cc1ccccc1 ZINC000189739079 823485163 /nfs/dbraw/zinc/48/51/63/823485163.db2.gz HHTFRWVADJVZEC-QFIPXVFZSA-N 0 1 395.459 4.413 20 5 GIBDMN O=[N+]([O-])c1ccc(N2CCC(N[C@@H](c3nccs3)c3ccccc3)CC2)cc1 ZINC000123363287 823501651 /nfs/dbraw/zinc/50/16/51/823501651.db2.gz NLGHPSQOYISVDD-HXUWFJFHSA-N 0 1 394.500 4.399 20 5 GIBDMN Cc1ccc(-c2n[nH]c(SCc3nc(-c4cccc([N+](=O)[O-])c4)no3)n2)cc1 ZINC000031843885 820867239 /nfs/dbraw/zinc/86/72/39/820867239.db2.gz MDFQYAWKVDIXFM-UHFFFAOYSA-N 0 1 394.416 4.031 20 5 GIBDMN O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc3oc(C4CC4)nc3c2)ccc1Cl ZINC000032097157 820897482 /nfs/dbraw/zinc/89/74/82/820897482.db2.gz HHDYIVVRFVMZBP-UHFFFAOYSA-N 0 1 393.808 4.068 20 5 GIBDMN CC(C)(NC(=O)Nc1ccc2nc(C(F)F)[nH]c2c1)c1ccc([N+](=O)[O-])cc1 ZINC000181107283 821636377 /nfs/dbraw/zinc/63/63/77/821636377.db2.gz 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COc1ccc(CN[C@@H](C)c2ccccn2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000061014274 823572912 /nfs/dbraw/zinc/57/29/12/823572912.db2.gz ZAVURJFZMGNQOQ-INIZCTEOSA-N 0 1 393.443 4.428 20 5 GIBDMN O=[N+]([O-])c1ccccc1CNCc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000061116509 823579019 /nfs/dbraw/zinc/57/90/19/823579019.db2.gz FXSRXPBJWPJYQM-UHFFFAOYSA-N 0 1 385.427 4.132 20 5 GIBDMN CCN(Cc1c[nH]c2ccccc12)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000190490987 823580642 /nfs/dbraw/zinc/58/06/42/823580642.db2.gz YHWLSJYDFJHUEY-OAHLLOKOSA-N 0 1 380.448 4.234 20 5 GIBDMN Cc1ccc2nc([C@H]3CCCN3C(=O)c3cc([N+](=O)[O-])ccc3Cl)[nH]c2c1 ZINC000061234918 823586277 /nfs/dbraw/zinc/58/62/77/823586277.db2.gz MNYBHNLFGIJHMK-QGZVFWFLSA-N 0 1 384.823 4.410 20 5 GIBDMN Cc1ccc2nc([C@@H]3CCCN3C(=O)Nc3ccc(C)c([N+](=O)[O-])c3)[nH]c2c1 ZINC000061733375 823609912 /nfs/dbraw/zinc/60/99/12/823609912.db2.gz QYXAJQJTQNYTOX-KRWDZBQOSA-N 0 1 379.420 4.457 20 5 GIBDMN Cn1cc(CN2CC[C@H](C(F)(F)F)C(C)(C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000191660816 823726434 /nfs/dbraw/zinc/72/64/34/823726434.db2.gz KPOPDFGBDMXPTF-INIZCTEOSA-N 0 1 396.413 4.406 20 5 GIBDMN O=C(CN1CCCCCC1)Nc1cccc(NCc2cccc([N+](=O)[O-])c2)c1 ZINC000126132099 823795641 /nfs/dbraw/zinc/79/56/41/823795641.db2.gz QSTURRNIBHILJD-UHFFFAOYSA-N 0 1 382.464 4.021 20 5 GIBDMN O=C([O-])c1ccc([N+](=O)[O-])c(NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000574755815 823819097 /nfs/dbraw/zinc/81/90/97/823819097.db2.gz NSVOPBRCBCHDPS-QGZVFWFLSA-N 0 1 383.448 4.007 20 5 GIBDMN Cc1cc(CNCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc(N2CCCC2)n1 ZINC000575030455 823893624 /nfs/dbraw/zinc/89/36/24/823893624.db2.gz CXUSKDGQCDSGIQ-UHFFFAOYSA-N 0 1 392.459 4.448 20 5 GIBDMN CCc1ccc(CNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])s1 ZINC000462424858 823970497 /nfs/dbraw/zinc/97/04/97/823970497.db2.gz FUARZWPELLGOLJ-UHFFFAOYSA-N 0 1 395.289 4.004 20 5 GIBDMN C[N@@H+](CCCC(=O)[O-])Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000414641235 824020014 /nfs/dbraw/zinc/02/00/14/824020014.db2.gz SZIDRANKJITABR-UHFFFAOYSA-N 0 1 378.812 4.337 20 5 GIBDMN CN(c1ccccc1)c1ccc(C[N@H+]2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000414654169 824021266 /nfs/dbraw/zinc/02/12/66/824021266.db2.gz IGODVNKRKYAKDI-HTAPYJJXSA-N 0 1 395.459 4.049 20 5 GIBDMN Cc1c(NC(=O)[C@@H](C)N[C@H](C)c2cccc(OC(C)C)c2)cccc1[N+](=O)[O-] ZINC000056156798 823091469 /nfs/dbraw/zinc/09/14/69/823091469.db2.gz PSYXVHDMGHRFFS-HZPDHXFCSA-N 0 1 385.464 4.368 20 5 GIBDMN Cc1ccc2nc([C@@H]3CCCN3C(=O)CCc3cccc([N+](=O)[O-])c3)[nH]c2c1 ZINC000176107490 823122482 /nfs/dbraw/zinc/12/24/82/823122482.db2.gz RQBUWEBMVRRNDG-IBGZPJMESA-N 0 1 378.432 4.076 20 5 GIBDMN C[C@@H](NCCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)c1nc2c(s1)CCC2 ZINC000459632982 823233377 /nfs/dbraw/zinc/23/33/77/823233377.db2.gz OUINHYXOYKFPNG-GFCCVEGCSA-N 0 1 384.461 4.088 20 5 GIBDMN C[C@@H](CCCc1cccnc1)N[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000459646806 823237592 /nfs/dbraw/zinc/23/75/92/823237592.db2.gz SRAYVABCGITPNM-GJZGRUSLSA-N 0 1 381.436 4.102 20 5 GIBDMN COc1ccc(CN(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)[C@@H](C)C2CC2)cc1 ZINC000057601215 823313659 /nfs/dbraw/zinc/31/36/59/823313659.db2.gz DCKBIAWMJWAXDF-INIZCTEOSA-N 0 1 397.475 4.151 20 5 GIBDMN O=C(CCN1CCC(=Cc2ccccc2F)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000410056192 823381695 /nfs/dbraw/zinc/38/16/95/823381695.db2.gz TUYHPMTZSSSFGL-UHFFFAOYSA-N 0 1 383.423 4.242 20 5 GIBDMN COc1ccc(CN(CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C(C)(C)C)cc1 ZINC000572916903 823419123 /nfs/dbraw/zinc/41/91/23/823419123.db2.gz VIYKHSIZMUGYKD-UHFFFAOYSA-N 0 1 385.464 4.151 20 5 GIBDMN CN(CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1cccc(Cl)c1Cl ZINC000026224857 820071393 /nfs/dbraw/zinc/07/13/93/820071393.db2.gz LRXKISUHHCNVQA-UHFFFAOYSA-N 0 1 382.247 4.362 20 5 GIBDMN CCN(CC)[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1C)c1ccccc1Cl ZINC000032316069 820913951 /nfs/dbraw/zinc/91/39/51/820913951.db2.gz FKDAUTHZCUPQMO-IBGZPJMESA-N 0 1 389.883 4.370 20 5 GIBDMN CCN(CC)[C@H](CNC(=O)c1ccccc1[N+](=O)[O-])c1ccccc1Cl ZINC000032317092 820914159 /nfs/dbraw/zinc/91/41/59/820914159.db2.gz OUSOJGVTJXVWOM-GOSISDBHSA-N 0 1 375.856 4.061 20 5 GIBDMN COc1cc(C(=O)Nc2ccc3nc(C(C)(C)C)[nH]c3c2)c([N+](=O)[O-])cc1OC ZINC000032465948 820950762 /nfs/dbraw/zinc/95/07/62/820950762.db2.gz ADULFEQHVPTNGS-UHFFFAOYSA-N 0 1 398.419 4.038 20 5 GIBDMN Cc1c(CSC(C)C)cccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000460822171 823522267 /nfs/dbraw/zinc/52/22/67/823522267.db2.gz DQYDAZZQRXWEAQ-UHFFFAOYSA-N 0 1 380.491 4.346 20 5 GIBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](C)c1ccc(-c2ccncc2)cc1 ZINC000180902678 821526485 /nfs/dbraw/zinc/52/64/85/821526485.db2.gz OAENMUKCLXFKEZ-MRXNPFEDSA-N 0 1 390.443 4.255 20 5 GIBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](C)c1ccc(-c2ccncc2)cc1 ZINC000180902656 821526696 /nfs/dbraw/zinc/52/66/96/821526696.db2.gz OAENMUKCLXFKEZ-INIZCTEOSA-N 0 1 390.443 4.255 20 5 GIBDMN C[C@H](N[C@@H](C)c1ccc(-c2ccncc2)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000180908184 821529580 /nfs/dbraw/zinc/52/95/80/821529580.db2.gz HJRYOQAKBPQQNM-HOTGVXAUSA-N 0 1 390.443 4.335 20 5 GIBDMN CCN(CC)C(=O)CCC1CCN(c2cc(C)nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000181539530 821873529 /nfs/dbraw/zinc/87/35/29/821873529.db2.gz WHVRXVQXGPYUNN-UHFFFAOYSA-N 0 1 398.507 4.316 20 5 GIBDMN O=C(N[C@@H](c1ccccc1)c1cc(Cl)ccc1Cl)c1n[nH]cc1[N+](=O)[O-] ZINC000182179560 822135249 /nfs/dbraw/zinc/13/52/49/822135249.db2.gz KSJCWWHYRVWILV-HNNXBMFYSA-N 0 1 391.214 4.144 20 5 GIBDMN NC(=O)c1ccc(CN[C@H](c2ccc(Cl)cc2)C2CCCC2)c([N+](=O)[O-])c1 ZINC000182536716 822288837 /nfs/dbraw/zinc/28/88/37/822288837.db2.gz FTGIJOBNXHGDFI-IBGZPJMESA-N 0 1 387.867 4.368 20 5 GIBDMN O=C(Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000179268359 822459324 /nfs/dbraw/zinc/45/93/24/822459324.db2.gz AGFSWKOHCFUUTG-INIZCTEOSA-N 0 1 386.795 4.228 20 5 GIBDMN CC(C)CN1Cc2cccc(NC(=O)[C@@H](C)c3ccc([N+](=O)[O-])cc3F)c2C1 ZINC000183393069 822467883 /nfs/dbraw/zinc/46/78/83/822467883.db2.gz RFWLNFJPQPOIKZ-AWEZNQCLSA-N 0 1 385.439 4.448 20 5 GIBDMN Cc1ccc2nc([C@@H]3CCCN3C(=O)[C@H](C)c3ccc([N+](=O)[O-])cc3F)[nH]c2c1 ZINC000183419830 822471721 /nfs/dbraw/zinc/47/17/21/822471721.db2.gz WKVJGXLLENCRDP-YJYMSZOUSA-N 0 1 396.422 4.386 20 5 GIBDMN CC(C)C[C@H](NCc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000179717110 822534092 /nfs/dbraw/zinc/53/40/92/822534092.db2.gz QQIBGAIVDQMSKN-KRWDZBQOSA-N 0 1 375.856 4.224 20 5 GIBDMN CC[C@@H](N[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])c1ccccc1OC(F)F ZINC000179723464 822535363 /nfs/dbraw/zinc/53/53/63/822535363.db2.gz RCZNQNCQWOSOKJ-GXTWGEPZSA-N 0 1 393.390 4.264 20 5 GIBDMN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 ZINC000047262371 822559875 /nfs/dbraw/zinc/55/98/75/822559875.db2.gz GJPJJPREVQPHHD-ZDUSSCGKSA-N 0 1 388.855 4.055 20 5 GIBDMN COc1ccc2oc([C@H](C)NCC(=O)Nc3ccc([N+](=O)[O-])cc3C)c(C)c2c1 ZINC000184324855 822615181 /nfs/dbraw/zinc/61/51/81/822615181.db2.gz VLQQUROIAKKGTQ-AWEZNQCLSA-N 0 1 397.431 4.256 20 5 GIBDMN Cc1ccc([N+](=O)[O-])c(C)c1NS(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000180161311 822629770 /nfs/dbraw/zinc/62/97/70/822629770.db2.gz ZAILWTDEXFHTCH-UHFFFAOYSA-N 0 1 392.330 4.170 20 5 GIBDMN CC(=O)N1CC[C@H](N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c2ccc(F)cc2C1 ZINC000184534576 822652776 /nfs/dbraw/zinc/65/27/76/822652776.db2.gz YPCQOIUENJNNDR-XOBRGWDASA-N 0 1 385.439 4.186 20 5 GIBDMN O=C(CCN[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)N1CCCCCC1 ZINC000180344974 822667150 /nfs/dbraw/zinc/66/71/50/822667150.db2.gz QRDCTSNDVWEKRR-QFIPXVFZSA-N 0 1 381.476 4.067 20 5 GIBDMN O=C(Nc1ccc2nc(Cc3ccccc3F)[nH]c2c1)c1ccccc1[N+](=O)[O-] ZINC000054245525 822870465 /nfs/dbraw/zinc/87/04/65/822870465.db2.gz WMPYDCVEALVABK-UHFFFAOYSA-N 0 1 390.374 4.453 20 5 GIBDMN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1ccc(Br)cc1O ZINC000569833260 822973917 /nfs/dbraw/zinc/97/39/17/822973917.db2.gz HGLHRJHTPQPCOF-UHFFFAOYSA-N 0 1 385.601 4.277 20 5 GIBDMN COc1ccccc1-c1nc(C2CCN(Cc3ccccc3[N+](=O)[O-])CC2)no1 ZINC000191632316 823719413 /nfs/dbraw/zinc/71/94/13/823719413.db2.gz HRYHRRHHLQATKD-UHFFFAOYSA-N 0 1 394.431 4.033 20 5 GIBDMN Cc1cc(N2CCC[C@](CO)(Cc3ccccc3)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000461884750 823738057 /nfs/dbraw/zinc/73/80/57/823738057.db2.gz DHMDWKPPHWRTOR-QHCPKHFHSA-N 0 1 391.471 4.273 20 5 GIBDMN COc1ccc(NC(=O)CCN2CC(C)(C)[C@H]2c2cccs2)c([N+](=O)[O-])c1 ZINC000574542741 823760075 /nfs/dbraw/zinc/76/00/75/823760075.db2.gz HWICNSBACZPCTE-GOSISDBHSA-N 0 1 389.477 4.077 20 5 GIBDMN O=[N+]([O-])c1ccc(NC[C@H](c2ccco2)N2CCCCC2)cc1OC(F)F ZINC000462114433 823832339 /nfs/dbraw/zinc/83/23/39/823832339.db2.gz WHNZBYTZHOXEAO-OAHLLOKOSA-N 0 1 381.379 4.428 20 5 GIBDMN Cc1ccc(CN[C@H](C)c2cc([N+](=O)[O-])ccc2C)c(OC[C@@H]2CCOC2)c1 ZINC000167191662 823888024 /nfs/dbraw/zinc/88/80/24/823888024.db2.gz RBGAUWPEZLGDBO-QZTJIDSGSA-N 0 1 384.476 4.478 20 5 GIBDMN C[C@H](c1ccc(F)cc1)N1CCC[C@H](N[C@H]2CCc3c2cccc3[N+](=O)[O-])C1=O ZINC000575071831 823904430 /nfs/dbraw/zinc/90/44/30/823904430.db2.gz IJVXKWMKPNBCEZ-UAOJZALGSA-N 0 1 397.450 4.063 20 5 GIBDMN Cc1ccc(CNCc2ccc(OCCOc3ccccc3)nc2)cc1[N+](=O)[O-] ZINC000120966889 823094540 /nfs/dbraw/zinc/09/45/40/823094540.db2.gz VSLUUQOOFLGOSN-UHFFFAOYSA-N 0 1 393.443 4.046 20 5 GIBDMN COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000056196562 823100836 /nfs/dbraw/zinc/10/08/36/823100836.db2.gz VNLFZBBHRYQCNH-OLZOCXBDSA-N 0 1 391.855 4.243 20 5 GIBDMN CCCc1[nH]nc(C(=O)N2CCC(F)(c3ccc(Cl)cc3)CC2)c1[N+](=O)[O-] ZINC000410222370 823424229 /nfs/dbraw/zinc/42/42/29/823424229.db2.gz YPQCBRRDWYVLRH-UHFFFAOYSA-N 0 1 394.834 4.025 20 5 GIBDMN Cc1cc(C(=O)N[C@@H](c2ccccc2)c2ccc3nc[nH]c3c2)ccc1[N+](=O)[O-] ZINC000025034376 819912493 /nfs/dbraw/zinc/91/24/93/819912493.db2.gz FFVDOTFNAVYBLQ-NRFANRHFSA-N 0 1 386.411 4.299 20 5 GIBDMN C[C@@H](N[C@@H]1CCSc2ccc(Cl)cc21)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000025216147 819944127 /nfs/dbraw/zinc/94/41/27/819944127.db2.gz WXECJPIXTDNESN-BDJLRTHQSA-N 0 1 391.880 4.402 20 5 GIBDMN CC(C)c1ccc(CN2CCC(NC(=O)c3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000123069221 823456492 /nfs/dbraw/zinc/45/64/92/823456492.db2.gz VOHBFVMEXHMMGT-UHFFFAOYSA-N 0 1 381.476 4.113 20 5 GIBDMN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(OC2CCCC2)c(F)c1 ZINC000460833356 823524970 /nfs/dbraw/zinc/52/49/70/823524970.db2.gz QLVQZPCFMOXMIN-UHFFFAOYSA-N 0 1 394.424 4.165 20 5 GIBDMN CO[C@@H]1CC[C@@H]2OCCN(Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)[C@@H]2C1 ZINC000180814574 821475097 /nfs/dbraw/zinc/47/50/97/821475097.db2.gz GLOWJXZPROKMQZ-ZMYBRWDISA-N 0 1 388.489 4.092 20 5 GIBDMN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCc1nc2ccc(F)cc2[nH]1 ZINC000181476163 821843364 /nfs/dbraw/zinc/84/33/64/821843364.db2.gz QPTATWVSNJZBPM-UHFFFAOYSA-N 0 1 388.424 4.041 20 5 GIBDMN Cc1ccc([C@H](C)N[C@@H](C)C(=O)Nc2cccc3ncccc32)cc1[N+](=O)[O-] ZINC000178682190 822402462 /nfs/dbraw/zinc/40/24/62/822402462.db2.gz SPZWYTNGHOHARV-GJZGRUSLSA-N 0 1 378.432 4.129 20 5 GIBDMN C[C@@H](C(=O)Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1)c1ccc([N+](=O)[O-])cc1F ZINC000183243145 822447588 /nfs/dbraw/zinc/44/75/88/822447588.db2.gz SMDBEQUVHPHSSC-ZMZPIMSZSA-N 0 1 398.394 4.204 20 5 GIBDMN Cc1cc([N+](=O)[O-])ccc1CNCc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000183455886 822477461 /nfs/dbraw/zinc/47/74/61/822477461.db2.gz TYLFBQSOIKFDGC-UHFFFAOYSA-N 0 1 399.454 4.441 20 5 GIBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N[C@@H](C)c1oc2ccccc2c1C ZINC000183629321 822503367 /nfs/dbraw/zinc/50/33/67/822503367.db2.gz QHQFBKMBMWJGJT-UONOGXRCSA-N 0 1 397.431 4.336 20 5 GIBDMN C[C@H](NCC(=O)N(C)[C@@H](C)c1cc2ccccc2o1)c1cccc([N+](=O)[O-])c1 ZINC000180440743 822682436 /nfs/dbraw/zinc/68/24/36/822682436.db2.gz LCQZZYXOMIUGMR-GJZGRUSLSA-N 0 1 381.432 4.211 20 5 GIBDMN O=C(CCN[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)Nc1ccccc1 ZINC000180535952 822698075 /nfs/dbraw/zinc/69/80/75/822698075.db2.gz IITORUJFKKDXGN-JOCHJYFZSA-N 0 1 375.428 4.303 20 5 GIBDMN CC(=O)c1ccc(NCc2ccccc2CN2C[C@@H](C)O[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000052314562 822795976 /nfs/dbraw/zinc/79/59/76/822795976.db2.gz DSLKAAIHXSUNSI-HZPDHXFCSA-N 0 1 397.475 4.019 20 5 GIBDMN COc1ccccc1C[C@@H](NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C(C)C ZINC000185901108 822831419 /nfs/dbraw/zinc/83/14/19/822831419.db2.gz AQMZEEFYLZVNEA-GOSISDBHSA-N 0 1 396.447 4.010 20 5 GIBDMN Cc1noc(C2CCN(Cc3cc(=O)oc4ccc5ccccc5c34)CC2)n1 ZINC000053641342 822843585 /nfs/dbraw/zinc/84/35/85/822843585.db2.gz FLJFQPCUXDFQCL-UHFFFAOYSA-N 0 1 375.428 4.017 20 5 GIBDMN O=C(Nc1nnc(-c2c(F)cccc2Cl)s1)c1ccc([N+](=O)[O-])s1 ZINC000186103091 822852069 /nfs/dbraw/zinc/85/20/69/822852069.db2.gz FBMWYRSTSKVXAE-UHFFFAOYSA-N 0 1 384.801 4.220 20 5 GIBDMN Cc1c(NC(=O)[C@@H](C)N[C@@H](C)c2ccccc2OC(C)C)cccc1[N+](=O)[O-] ZINC000055151854 822940972 /nfs/dbraw/zinc/94/09/72/822940972.db2.gz NLLXPNMNSUEPAK-JKSUJKDBSA-N 0 1 385.464 4.368 20 5 GIBDMN CN(C)C[C@@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(F)cc1 ZINC000569611721 822944623 /nfs/dbraw/zinc/94/46/23/822944623.db2.gz JTNANPMHPAAEES-HXUWFJFHSA-N 0 1 383.423 4.386 20 5 GIBDMN O=C(CCN1CCCC[C@H]1c1nc2ccccc2o1)Nc1ccc([N+](=O)[O-])cc1 ZINC000411379168 823567662 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0 1 397.456 4.376 20 5 GIBDMN O=[N+]([O-])c1ccc(-c2nnc(CSc3nc4ccc(Cl)cc4[nH]3)o2)cc1 ZINC000057435500 823296876 /nfs/dbraw/zinc/29/68/76/823296876.db2.gz SEGFOBBIJXANIA-UHFFFAOYSA-N 0 1 387.808 4.467 20 5 GIBDMN C[C@H](Sc1nc(C=Cc2ccccc2)n[nH]1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000012834963 818186177 /nfs/dbraw/zinc/18/61/77/818186177.db2.gz CFPQVQSFWQGHFT-YLSINNKHSA-N 0 1 395.444 4.003 20 5 GIBDMN CCS[C@@H]1CCCC[C@@H]1N[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000189505214 823433118 /nfs/dbraw/zinc/43/31/18/823433118.db2.gz WKLBYUWXXYJRPQ-VBNZEHGJSA-N 0 1 376.482 4.360 20 5 GIBDMN Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)N[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000573137536 823453227 /nfs/dbraw/zinc/45/32/27/823453227.db2.gz QDNKLWSJEZIXQP-BMIGLBTASA-N 0 1 382.386 4.309 20 5 GIBDMN C[C@H](C1CC1)N(Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)Cc1ccccc1 ZINC000029844816 820531447 /nfs/dbraw/zinc/53/14/47/820531447.db2.gz QKYQVHHEGCHIDO-OAHLLOKOSA-N 0 1 378.432 4.446 20 5 GIBDMN C[C@@H](C1CC1)N(Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)Cc1ccccc1 ZINC000029844809 820531481 /nfs/dbraw/zinc/53/14/81/820531481.db2.gz QKYQVHHEGCHIDO-HNNXBMFYSA-N 0 1 378.432 4.446 20 5 GIBDMN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc3oc(C4CC4)nc3c2)c1C ZINC000032097325 820897562 /nfs/dbraw/zinc/89/75/62/820897562.db2.gz CZLFCTBICKZTMV-UHFFFAOYSA-N 0 1 387.417 4.031 20 5 GIBDMN O=C(NC[C@@H](c1ccco1)N1CCCCC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000043343106 821395496 /nfs/dbraw/zinc/39/54/96/821395496.db2.gz FDAJFOGQTHCYQX-INIZCTEOSA-N 0 1 392.843 4.190 20 5 GIBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@H](C)c1ccc(-c2cccnc2)cc1 ZINC000181298477 821742589 /nfs/dbraw/zinc/74/25/89/821742589.db2.gz DHTJXUMFBNUVJL-MRXNPFEDSA-N 0 1 390.443 4.255 20 5 GIBDMN C[C@@H](N[C@@H](C)c1ccc(-c2cccnc2)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000181304130 821745236 /nfs/dbraw/zinc/74/52/36/821745236.db2.gz VQYWNWVATKXVMK-JKSUJKDBSA-N 0 1 390.443 4.335 20 5 GIBDMN CCN(C[C@@H]1CCN(c2cc(C)nc3ccc([N+](=O)[O-])cc32)C1)CC(F)(F)F ZINC000181520753 821864837 /nfs/dbraw/zinc/86/48/37/821864837.db2.gz IGEZCUUNWFPDGP-AWEZNQCLSA-N 0 1 396.413 4.162 20 5 GIBDMN CCOc1cccc2cc([C@H](C)NCC(=O)N(C)c3ccc([N+](=O)[O-])cc3)oc21 ZINC000182663633 822343359 /nfs/dbraw/zinc/34/33/59/822343359.db2.gz NXCRMRCOMQADJH-AWEZNQCLSA-N 0 1 397.431 4.053 20 5 GIBDMN Cc1ccc(C(=O)NC2CCN([C@H](C)c3cc([N+](=O)[O-])ccc3C)CC2)s1 ZINC000182864823 822381595 /nfs/dbraw/zinc/38/15/95/822381595.db2.gz GROPDSKCCGUZIU-OAHLLOKOSA-N 0 1 387.505 4.229 20 5 GIBDMN COc1cc(CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)ccc1OCC(F)(F)F ZINC000178646343 822399237 /nfs/dbraw/zinc/39/92/37/822399237.db2.gz IQJWBUNIUIHVPF-LBPRGKRZSA-N 0 1 384.354 4.395 20 5 GIBDMN Cc1ccc([C@@H](C)N[C@H](C)C(=O)Nc2ccccc2OC(F)F)cc1[N+](=O)[O-] ZINC000178679675 822402132 /nfs/dbraw/zinc/40/21/32/822402132.db2.gz OFELLZMRWYQKDT-CHWSQXEVSA-N 0 1 393.390 4.182 20 5 GIBDMN O=[N+]([O-])c1ccc(CSc2nc(-c3ccccc3O)n[nH]2)c(C(F)(F)F)c1 ZINC000178771500 822408692 /nfs/dbraw/zinc/40/86/92/822408692.db2.gz SFOQOCHUUIYYDR-UHFFFAOYSA-N 0 1 396.350 4.397 20 5 GIBDMN COc1ccc([N+](=O)[O-])cc1CN[C@H](C)c1cccc(OCc2ccccn2)c1 ZINC000179684453 822526751 /nfs/dbraw/zinc/52/67/51/822526751.db2.gz OZQPDEZFLFNEND-MRXNPFEDSA-N 0 1 393.443 4.428 20 5 GIBDMN COc1cccc(-c2nc(C)c(C(=O)O[C@@H](C)c3ccc([N+](=O)[O-])cc3)[nH]2)c1 ZINC000179809660 822557375 /nfs/dbraw/zinc/55/73/75/822557375.db2.gz MGTLCUITBRMDII-ZDUSSCGKSA-N 0 1 381.388 4.220 20 5 GIBDMN O=[N+]([O-])c1cccc([C@@H](NCc2ccc(Cn3cncn3)cc2)c2ccccc2)c1 ZINC000180050350 822604426 /nfs/dbraw/zinc/60/44/26/822604426.db2.gz VOUGUBLOLLUGQG-QHCPKHFHSA-N 0 1 399.454 4.114 20 5 GIBDMN Cc1ccc([C@@H](C)NCC(=O)Nc2cc(Cl)ccc2Cl)cc1[N+](=O)[O-] ZINC000180436580 822681512 /nfs/dbraw/zinc/68/15/12/822681512.db2.gz OUKTVGQLFWVOFI-LLVKDONJSA-N 0 1 382.247 4.499 20 5 GIBDMN C[C@@H](NCC(=O)N[C@H](c1cccs1)C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000180438543 822682118 /nfs/dbraw/zinc/68/21/18/822682118.db2.gz MCELFIQRDWKEIX-FZKQIMNGSA-N 0 1 375.494 4.211 20 5 GIBDMN C[C@@H](NCc1ccccc1[N+](=O)[O-])c1ccc(I)cc1 ZINC000050015593 822713920 /nfs/dbraw/zinc/71/39/20/822713920.db2.gz CSLANVPHYUMMEP-LLVKDONJSA-N 0 1 382.201 4.050 20 5 GIBDMN Cc1sc([C@@H](C)NCCn2cc([N+](=O)[O-])cn2)nc1-c1ccc(Cl)cc1 ZINC000184947059 822717031 /nfs/dbraw/zinc/71/70/31/822717031.db2.gz KJMPFJGZCFZWOJ-LLVKDONJSA-N 0 1 391.884 4.227 20 5 GIBDMN COc1ccccc1C[C@H](NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C(C)C ZINC000185901127 822831429 /nfs/dbraw/zinc/83/14/29/822831429.db2.gz AQMZEEFYLZVNEA-SFHVURJKSA-N 0 1 396.447 4.010 20 5 GIBDMN CSc1cccc(C(=O)Nc2ccc3nc([C@@H]4CCCO4)[nH]c3c2)c1[N+](=O)[O-] ZINC000186284383 822870356 /nfs/dbraw/zinc/87/03/56/822870356.db2.gz ZJBCIJRLBWZYAT-HNNXBMFYSA-N 0 1 398.444 4.297 20 5 GIBDMN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000457366813 822870601 /nfs/dbraw/zinc/87/06/01/822870601.db2.gz NWXOWWAYUAMAOX-KRWDZBQOSA-N 0 1 399.838 4.195 20 5 GIBDMN Cc1cc(OC(C)C)ccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000055652169 822993512 /nfs/dbraw/zinc/99/35/12/822993512.db2.gz MLOLZFCSYOYATG-UHFFFAOYSA-N 0 1 384.841 4.145 20 5 GIBDMN Cc1nc(SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)[nH]c1-c1ccccc1 ZINC000187141238 823016837 /nfs/dbraw/zinc/01/68/37/823016837.db2.gz QBJGTXDLXLYUPX-UHFFFAOYSA-N 0 1 382.445 4.333 20 5 GIBDMN C[C@@H](N[C@H](C)c1cccc(OC(F)(F)F)c1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000175705350 823024269 /nfs/dbraw/zinc/02/42/69/823024269.db2.gz KJRIUPGBHOGHPA-VXGBXAGGSA-N 0 1 397.353 4.171 20 5 GIBDMN COC(=O)c1ccccc1-c1ccc(CN[C@@H](C)c2cccc([N+](=O)[O-])c2)o1 ZINC000187225235 823027519 /nfs/dbraw/zinc/02/75/19/823027519.db2.gz FTXOXMRRDHIHCN-AWEZNQCLSA-N 0 1 380.400 4.492 20 5 GIBDMN Cc1ccc2nc([C@@H]3CCCN3C(=O)c3cc4cccc([N+](=O)[O-])c4[nH]3)[nH]c2c1 ZINC000061461162 823598981 /nfs/dbraw/zinc/59/89/81/823598981.db2.gz PSHNATSKRMHQAP-SFHVURJKSA-N 0 1 389.415 4.238 20 5 GIBDMN Cc1ccc2nc([C@@H]3CCCN3C(=O)[C@@H]3C[C@H]3c3ccc([N+](=O)[O-])cc3)[nH]c2c1 ZINC000411740595 823601230 /nfs/dbraw/zinc/60/12/30/823601230.db2.gz CNLWZLLLZGCXSH-QKLQHJQFSA-N 0 1 390.443 4.247 20 5 GIBDMN COc1ccc([C@@H](C)NCc2ccc(Br)c([N+](=O)[O-])c2)cc1F ZINC000061558165 823603849 /nfs/dbraw/zinc/60/38/49/823603849.db2.gz PPHKZRKHZGGYOY-SNVBAGLBSA-N 0 1 383.217 4.356 20 5 GIBDMN COc1cccc(OC)c1OC1CCN([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000125265738 823663533 /nfs/dbraw/zinc/66/35/33/823663533.db2.gz QRRWCBLJQXDYMB-OAHLLOKOSA-N 0 1 386.448 4.216 20 5 GIBDMN COc1ccccc1-c1nc(C2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)no1 ZINC000191632983 823720047 /nfs/dbraw/zinc/72/00/47/823720047.db2.gz PNMWPIVAAXIBEV-UHFFFAOYSA-N 0 1 394.431 4.033 20 5 GIBDMN CSc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(Br)cc2O)c1 ZINC000125998478 823763450 /nfs/dbraw/zinc/76/34/50/823763450.db2.gz FTGZXGNMJXOWRM-UHFFFAOYSA-N 0 1 383.223 4.037 20 5 GIBDMN C[C@@H](N[C@H](C)c1cccc(C(F)(F)F)c1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000120985229 823097593 /nfs/dbraw/zinc/09/75/93/823097593.db2.gz KGRHPTQZOSWBTB-VXGBXAGGSA-N 0 1 381.354 4.291 20 5 GIBDMN C[C@@H](N[C@@H](C)C(=O)Nc1ccccc1C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000056196944 823100811 /nfs/dbraw/zinc/10/08/11/823100811.db2.gz KZGDQBNNUKQGIE-NEPJUHHUSA-N 0 1 381.354 4.291 20 5 GIBDMN C[C@@H](N[C@@H](C)C(=O)Nc1cccc(C(F)(F)F)c1)c1cccc([N+](=O)[O-])c1 ZINC000056196777 823100881 /nfs/dbraw/zinc/10/08/81/823100881.db2.gz HKSGGEBYVJPXEO-NEPJUHHUSA-N 0 1 381.354 4.291 20 5 GIBDMN O=[N+]([O-])c1ccc(NC2CCN(Cc3ccccn3)CC2)c(C(F)(F)F)c1 ZINC000057139227 823253928 /nfs/dbraw/zinc/25/39/28/823253928.db2.gz HWQLHBWPODYDHR-UHFFFAOYSA-N 0 1 380.370 4.085 20 5 GIBDMN O=[N+]([O-])c1ccccc1CSc1nc(-c2ccccc2Br)n[nH]1 ZINC000007251823 817804818 /nfs/dbraw/zinc/80/48/18/817804818.db2.gz HKEMCZDNAAZYKZ-UHFFFAOYSA-N 0 1 391.250 4.435 20 5 GIBDMN Cc1nc2ccc(NS(=O)(=O)c3cc(Cl)c(C)c([N+](=O)[O-])c3)cc2s1 ZINC000007419840 817837146 /nfs/dbraw/zinc/83/71/46/817837146.db2.gz MRSAPJUELGWXLT-UHFFFAOYSA-N 0 1 397.865 4.276 20 5 GIBDMN O=C(Cc1cccc([N+](=O)[O-])c1)Nc1ccc(-c2nc3ccc(F)cc3[nH]2)cc1 ZINC000460152437 823298947 /nfs/dbraw/zinc/29/89/47/823298947.db2.gz BGLPKYDHXNXPOV-UHFFFAOYSA-N 0 1 390.374 4.458 20 5 GIBDMN CCc1n[nH]c(S[C@@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)n1 ZINC000011711557 818111547 /nfs/dbraw/zinc/11/15/47/818111547.db2.gz AXOVHERURDAGLO-QGZVFWFLSA-N 0 1 397.460 4.056 20 5 GIBDMN CCc1nc(S[C@@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)n[nH]1 ZINC000011711557 818111551 /nfs/dbraw/zinc/11/15/51/818111551.db2.gz AXOVHERURDAGLO-QGZVFWFLSA-N 0 1 397.460 4.056 20 5 GIBDMN O=C(c1ccccc1)c1ccc(N[C@H](c2nnc[nH]2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000460445223 823391737 /nfs/dbraw/zinc/39/17/37/823391737.db2.gz SFLIUWPMXVHXHN-FQEVSTJZSA-N 0 1 399.410 4.145 20 5 GIBDMN O=[N+]([O-])c1ccc(CSc2nc(-c3ccc(Br)cc3)n[nH]2)cc1 ZINC000029739152 820509454 /nfs/dbraw/zinc/50/94/54/820509454.db2.gz MPLMQEMTRQTJJG-UHFFFAOYSA-N 0 1 391.250 4.435 20 5 GIBDMN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cccc(OC2CCCC2)c1 ZINC000032591085 820973790 /nfs/dbraw/zinc/97/37/90/820973790.db2.gz SHFDOSJWQBPLRL-UHFFFAOYSA-N 0 1 376.434 4.025 20 5 GIBDMN C[C@@H](N[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(-c2ccncc2)cc1 ZINC000180924893 821540898 /nfs/dbraw/zinc/54/08/98/821540898.db2.gz COCJXKIVBRHKKR-CVEARBPZSA-N 0 1 390.443 4.335 20 5 GIBDMN C[C@H](N[C@@H](C)c1ccc(-c2cccnc2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000181284517 821734470 /nfs/dbraw/zinc/73/44/70/821734470.db2.gz SGLTUXBFHUAKKI-HOTGVXAUSA-N 0 1 390.443 4.335 20 5 GIBDMN C[C@H](N[C@@H](C)c1ccc(-c2cccnc2)cc1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000181317311 821755302 /nfs/dbraw/zinc/75/53/02/821755302.db2.gz ZTZFSPIUJSHFCA-HOTGVXAUSA-N 0 1 390.443 4.335 20 5 GIBDMN Cc1ccc([C@H](C)N[C@@H](CO)c2cccc(Br)c2)cc1[N+](=O)[O-] ZINC000181391477 821802115 /nfs/dbraw/zinc/80/21/15/821802115.db2.gz DKLFIDKEWPNOMG-LRDDRELGSA-N 0 1 379.254 4.050 20 5 GIBDMN CC[C@@H](N[C@@H](CO)c1cccc(Br)c1)c1cccc([N+](=O)[O-])c1 ZINC000181400574 821807393 /nfs/dbraw/zinc/80/73/93/821807393.db2.gz VLSCIUHAIOWLRP-SJORKVTESA-N 0 1 379.254 4.132 20 5 GIBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@H](C)c1c(F)cccc1Cl ZINC000181732720 821966709 /nfs/dbraw/zinc/96/67/09/821966709.db2.gz GOZFYJUZVAFWBV-LLVKDONJSA-N 0 1 395.818 4.075 20 5 GIBDMN COc1cc(CN[C@H](C)c2ccc([N+](=O)[O-])cc2)ccc1OCC(F)(F)F ZINC000178646358 822399166 /nfs/dbraw/zinc/39/91/66/822399166.db2.gz IQJWBUNIUIHVPF-GFCCVEGCSA-N 0 1 384.354 4.395 20 5 GIBDMN CC(C)CN1Cc2cccc(NC(=O)[C@H](C)c3ccc([N+](=O)[O-])cc3F)c2C1 ZINC000183393090 822467749 /nfs/dbraw/zinc/46/77/49/822467749.db2.gz RFWLNFJPQPOIKZ-CQSZACIVSA-N 0 1 385.439 4.448 20 5 GIBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N[C@H](C)c1oc2ccccc2c1C ZINC000183629304 822503418 /nfs/dbraw/zinc/50/34/18/822503418.db2.gz QHQFBKMBMWJGJT-ZIAGYGMSSA-N 0 1 397.431 4.336 20 5 GIBDMN Cc1c(NC(=O)[C@H](C)N[C@H](C)c2cccc(OC(F)F)c2)cccc1[N+](=O)[O-] ZINC000179589298 822507889 /nfs/dbraw/zinc/50/78/89/822507889.db2.gz FQBXLPXZZCQCKD-OLZOCXBDSA-N 0 1 393.390 4.182 20 5 GIBDMN O=[N+]([O-])c1ccc(-c2ccc(CN3CCCN(c4nccs4)CC3)o2)cc1 ZINC000179608424 822512059 /nfs/dbraw/zinc/51/20/59/822512059.db2.gz PNSGJWUFVFVYLD-UHFFFAOYSA-N 0 1 384.461 4.024 20 5 GIBDMN CC(C)Oc1cccc([C@@H](C)NCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000179663789 822522841 /nfs/dbraw/zinc/52/28/41/822522841.db2.gz NGTHMCMIFMKDIP-CYBMUJFWSA-N 0 1 391.855 4.325 20 5 GIBDMN COc1cccc(F)c1[C@@H](C)NCCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000179900845 822573739 /nfs/dbraw/zinc/57/37/39/822573739.db2.gz ZBDMVWFFMCJWKV-CYBMUJFWSA-N 0 1 385.395 4.291 20 5 GIBDMN Cc1ccc(S(=O)(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)c(Br)c1 ZINC000180162145 822630047 /nfs/dbraw/zinc/63/00/47/822630047.db2.gz BJSXHOAENAPJHK-UHFFFAOYSA-N 0 1 399.266 4.083 20 5 GIBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@H](C)c1nc(C(C)(C)C)cs1 ZINC000184486438 822644100 /nfs/dbraw/zinc/64/41/00/822644100.db2.gz HITXLZMWWVFEAP-CYBMUJFWSA-N 0 1 390.509 4.337 20 5 GIBDMN Cc1ccc([C@@H](C)NCc2ccc(C(=O)N3CCCCC3)cc2)cc1[N+](=O)[O-] ZINC000180407565 822676672 /nfs/dbraw/zinc/67/66/72/822676672.db2.gz RUHFICDPYVZKTQ-QGZVFWFLSA-N 0 1 381.476 4.380 20 5 GIBDMN C[C@@H](NCC(=O)N[C@@H](c1cccs1)C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000180438517 822682138 /nfs/dbraw/zinc/68/21/38/822682138.db2.gz MCELFIQRDWKEIX-ACJLOTCBSA-N 0 1 375.494 4.211 20 5 GIBDMN O=[N+]([O-])c1cccc([C@H](NCc2ccc(-n3cncn3)cc2)c2ccccc2)c1 ZINC000180454544 822685262 /nfs/dbraw/zinc/68/52/62/822685262.db2.gz MLRNLICGZNIDEK-JOCHJYFZSA-N 0 1 385.427 4.055 20 5 GIBDMN Cc1ccc2nc([C@H]3CCCN(C(=O)Nc4cccc([N+](=O)[O-])c4)C3)[nH]c2c1 ZINC000185522936 822793275 /nfs/dbraw/zinc/79/32/75/822793275.db2.gz DXPZHWLZPIWDKU-AWEZNQCLSA-N 0 1 379.420 4.191 20 5 GIBDMN C[C@H](N[C@@H](C)c1cccc(OC(F)(F)F)c1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000175705293 823024255 /nfs/dbraw/zinc/02/42/55/823024255.db2.gz KJRIUPGBHOGHPA-RYUDHWBXSA-N 0 1 397.353 4.171 20 5 GIBDMN C[C@@H](N[C@@H](C)c1cccc(OC(F)(F)F)c1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000175705335 823024277 /nfs/dbraw/zinc/02/42/77/823024277.db2.gz KJRIUPGBHOGHPA-NWDGAFQWSA-N 0 1 397.353 4.171 20 5 GIBDMN CC[C@@H](Cc1ccc(C)cc1)N(CC)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000461390301 823628123 /nfs/dbraw/zinc/62/81/23/823628123.db2.gz RFNMZMRZBRAZPT-INIZCTEOSA-N 0 1 380.448 4.263 20 5 GIBDMN COc1cccc(-c2noc([C@H](C)N[C@@H](C)CCc3ccccc3[N+](=O)[O-])n2)c1 ZINC000191565759 823700754 /nfs/dbraw/zinc/70/07/54/823700754.db2.gz CPWKJKATJIZXIA-GJZGRUSLSA-N 0 1 396.447 4.325 20 5 GIBDMN Cc1cc(N2CC[C@@]3(C2)CC(=O)c2ccccc2O3)c2cc([N+](=O)[O-])ccc2n1 ZINC000413531769 823793336 /nfs/dbraw/zinc/79/33/36/823793336.db2.gz MWVMGYCIOKSABE-QFIPXVFZSA-N 0 1 389.411 4.066 20 5 GIBDMN COc1ccc([N+](=O)[O-])c(C(=O)Nc2nnc(-c3cc4ccccc4o3)s2)c1 ZINC000191850789 823796251 /nfs/dbraw/zinc/79/62/51/823796251.db2.gz FHQITFFRTDMPBO-UHFFFAOYSA-N 0 1 396.384 4.120 20 5 GIBDMN Cc1c([C@@H](C)NCc2cccc(C(=O)NCc3ccco3)c2)cccc1[N+](=O)[O-] ZINC000165010236 823829919 /nfs/dbraw/zinc/82/99/19/823829919.db2.gz WEBLCHUDALZLHN-MRXNPFEDSA-N 0 1 393.443 4.277 20 5 GIBDMN COc1cc(CN[C@H]2CCO[C@H]2c2ccc(Cl)cc2)c([N+](=O)[O-])cc1F ZINC000192037342 823840121 /nfs/dbraw/zinc/84/01/21/823840121.db2.gz KXXNVUMAYMCZSD-YJBOKZPZSA-N 0 1 380.803 4.016 20 5 GIBDMN CC[C@H](N[C@@H](C)c1cc([N+](=O)[O-])ccc1C)c1ccccc1OCC(=O)N(C)C ZINC000165689159 823858793 /nfs/dbraw/zinc/85/87/93/823858793.db2.gz GZQSNAYUUABPDA-JXFKEZNVSA-N 0 1 399.491 4.172 20 5 GIBDMN Cc1ccc(CN[C@@H](C)c2cccc([N+](=O)[O-])c2C)c(OC[C@@H]2CCOC2)c1 ZINC000167191845 823888147 /nfs/dbraw/zinc/88/81/47/823888147.db2.gz HVPYWDSMCQXDJF-ZWKOTPCHSA-N 0 1 384.476 4.478 20 5 GIBDMN Cc1ccc2nc([C@H]3CCCN(C(=O)c4cc(Cl)cc([N+](=O)[O-])c4)C3)[nH]c2c1 ZINC000126574769 823902937 /nfs/dbraw/zinc/90/29/37/823902937.db2.gz DZXVMXAVDQEYCQ-ZDUSSCGKSA-N 0 1 398.850 4.453 20 5 GIBDMN CCS(=O)(=O)c1cc(Cl)cc(CN[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000414211851 823929868 /nfs/dbraw/zinc/92/98/68/823929868.db2.gz PMDBYCXNYHKAAO-CYBMUJFWSA-N 0 1 396.896 4.201 20 5 GIBDMN O=[N+]([O-])c1cccc(-c2nc(CN[C@H]3CCN(c4ccc(F)cc4)C3)cs2)c1 ZINC000414595353 824017138 /nfs/dbraw/zinc/01/71/38/824017138.db2.gz SRRILKSPJJVESU-INIZCTEOSA-N 0 1 398.463 4.226 20 5 GIBDMN C[C@@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(Br)c1 ZINC000056196910 823100785 /nfs/dbraw/zinc/10/07/85/823100785.db2.gz QFHMVQROUHKEHV-VXGBXAGGSA-N 0 1 392.253 4.035 20 5 GIBDMN C[C@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(Br)c1 ZINC000056196904 823100802 /nfs/dbraw/zinc/10/08/02/823100802.db2.gz QFHMVQROUHKEHV-RYUDHWBXSA-N 0 1 392.253 4.035 20 5 GIBDMN C[C@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(Br)cc1 ZINC000056197404 823101066 /nfs/dbraw/zinc/10/10/66/823101066.db2.gz JDHCMZSLWHETCO-RYUDHWBXSA-N 0 1 392.253 4.035 20 5 GIBDMN Cc1ccc(-c2n[nH]c(SCc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)n2)cc1 ZINC000005866002 817624956 /nfs/dbraw/zinc/62/49/56/817624956.db2.gz KXYISMBHHMKUNR-UHFFFAOYSA-N 0 1 394.416 4.031 20 5 GIBDMN O=[N+]([O-])c1ccc(-c2nnc(CN3CCC(Cc4ccccc4)CC3)o2)cc1 ZINC000016474654 818447078 /nfs/dbraw/zinc/44/70/78/818447078.db2.gz CDSTYOYLSPHXPQ-UHFFFAOYSA-N 0 1 378.432 4.100 20 5 GIBDMN Cc1nn(Cc2ccc(Cl)cc2)c(C)c1CNCc1ccc([N+](=O)[O-])cc1 ZINC000123091254 823460815 /nfs/dbraw/zinc/46/08/15/823460815.db2.gz UZXJNRYAHUJHOV-UHFFFAOYSA-N 0 1 384.867 4.400 20 5 GIBDMN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1cc(Cl)c(Cl)cc1F ZINC000410423507 823493412 /nfs/dbraw/zinc/49/34/12/823493412.db2.gz YGHXCULZHIUBEL-UHFFFAOYSA-N 0 1 379.196 4.150 20 5 GIBDMN O=C(CCNc1ccccc1[N+](=O)[O-])Nc1ccc2nc(-c3ccco3)[nH]c2c1 ZINC000059583797 823497019 /nfs/dbraw/zinc/49/70/19/823497019.db2.gz UMHXITURRKGPOR-UHFFFAOYSA-N 0 1 391.387 4.172 20 5 GIBDMN CC(C)C(=O)N1CCCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1 ZINC000123533560 823518445 /nfs/dbraw/zinc/51/84/45/823518445.db2.gz IWWONPJFBYFDIK-UHFFFAOYSA-N 0 1 387.505 4.014 20 5 GIBDMN CCOc1cccc([C@H](C)N[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000180713528 821412250 /nfs/dbraw/zinc/41/22/50/821412250.db2.gz PEJLYQWJIHLTRL-STQMWFEESA-N 0 1 391.855 4.325 20 5 GIBDMN O=[N+]([O-])c1cccc([C@@H](N[C@@H]2CCN(c3ncccc3F)C2)c2ccccc2)c1 ZINC000180748497 821432299 /nfs/dbraw/zinc/43/22/99/821432299.db2.gz RZZMIBCNAINKJQ-NQIIRXRSSA-N 0 1 392.434 4.087 20 5 GIBDMN Cc1ccc([C@H](C)N[C@H](CO)c2cccc(Br)c2)cc1[N+](=O)[O-] ZINC000181391511 821802043 /nfs/dbraw/zinc/80/20/43/821802043.db2.gz DKLFIDKEWPNOMG-BLLLJJGKSA-N 0 1 379.254 4.050 20 5 GIBDMN CCC[C@H](NCc1ccc(C(N)=O)cc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000181848842 822016277 /nfs/dbraw/zinc/01/62/77/822016277.db2.gz OSCBUFPMPYMLEE-INIZCTEOSA-N 0 1 395.381 4.344 20 5 GIBDMN CCSc1ccc([C@@H](C)NCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)cc1 ZINC000182120285 822102827 /nfs/dbraw/zinc/10/28/27/822102827.db2.gz QBYMVEDFUZAHHW-CYBMUJFWSA-N 0 1 389.477 4.005 20 5 GIBDMN COc1cc(CNC2(c3ccccc3)CCC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000182575666 822309375 /nfs/dbraw/zinc/30/93/75/822309375.db2.gz KPTJWIFTLDMRPX-UHFFFAOYSA-N 0 1 392.402 4.416 20 5 GIBDMN Cc1cc(C(=O)NC2CCN([C@@H](C)c3cc([N+](=O)[O-])ccc3C)CC2)c(C)o1 ZINC000182740937 822360584 /nfs/dbraw/zinc/36/05/84/822360584.db2.gz JHPRGDGSZZAJRI-HNNXBMFYSA-N 0 1 385.464 4.068 20 5 GIBDMN CCOc1ccc([N+](=O)[O-])cc1CN1CCC2(CC1)OCCc1ccccc12 ZINC000453577103 822386990 /nfs/dbraw/zinc/38/69/90/822386990.db2.gz RRRPDFBPKJMGMA-UHFFFAOYSA-N 0 1 382.460 4.058 20 5 GIBDMN Cc1ccc([C@H](C)N[C@H](C)C(=O)Nc2ccc(OC(F)F)cc2)cc1[N+](=O)[O-] ZINC000178682152 822402500 /nfs/dbraw/zinc/40/25/00/822402500.db2.gz DPKMLKHCMXWFCI-QWHCGFSZSA-N 0 1 393.390 4.182 20 5 GIBDMN COc1ccc(Cl)cc1NC(=O)[C@H](C)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000178683153 822402681 /nfs/dbraw/zinc/40/26/81/822402681.db2.gz UWLQFXRYWSFBSV-STQMWFEESA-N 0 1 391.855 4.243 20 5 GIBDMN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2nc(C)c(Cl)cc2Cl)c1C ZINC000180211334 822640246 /nfs/dbraw/zinc/64/02/46/822640246.db2.gz PPPWHUHOUJUFSU-UHFFFAOYSA-N 0 1 390.248 4.023 20 5 GIBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@H](C)c1nc(C(C)(C)C)cs1 ZINC000184501623 822646494 /nfs/dbraw/zinc/64/64/94/822646494.db2.gz XLYPQSGCTKQLSL-CYBMUJFWSA-N 0 1 390.509 4.337 20 5 GIBDMN C[C@@H](NCCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1nc(-c2ccccc2)cs1 ZINC000184522581 822650422 /nfs/dbraw/zinc/65/04/22/822650422.db2.gz XBMSBRSNHIANHU-CQSZACIVSA-N 0 1 396.472 4.398 20 5 GIBDMN CC(=O)N1CC[C@H](N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c2ccc(F)cc2C1 ZINC000184534558 822652724 /nfs/dbraw/zinc/65/27/24/822652724.db2.gz YPCQOIUENJNNDR-VLIAUNLRSA-N 0 1 385.439 4.186 20 5 GIBDMN CCOc1cccc2cc([C@@H](C)NCC(=O)Nc3ccc([N+](=O)[O-])cc3C)oc21 ZINC000180357107 822669721 /nfs/dbraw/zinc/66/97/21/822669721.db2.gz KGFDQBHWWUFSGI-CQSZACIVSA-N 0 1 397.431 4.337 20 5 GIBDMN NC(=O)c1ccc(CN[C@H](CCc2ccccc2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000180375532 822672021 /nfs/dbraw/zinc/67/20/21/822672021.db2.gz RMQPXZMGJBATDN-OAQYLSRUSA-N 0 1 389.455 4.157 20 5 GIBDMN Cc1ccc(NC(=O)C[C@H](C)NCc2ccc([N+](=O)[O-])cc2Cl)c(C)c1 ZINC000184664746 822672630 /nfs/dbraw/zinc/67/26/30/822672630.db2.gz IHBDPFYATHWFLH-AWEZNQCLSA-N 0 1 375.856 4.372 20 5 GIBDMN CCOc1ccc([C@@H]2CCCN2C(=O)CN[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000180433225 822680879 /nfs/dbraw/zinc/68/08/79/822680879.db2.gz PKZMYHZESIBCTL-KKSFZXQISA-N 0 1 397.475 4.008 20 5 GIBDMN COC(=O)c1ccccc1-c1ccc(CN[C@H](C)c2cccc([N+](=O)[O-])c2)o1 ZINC000187225256 823027466 /nfs/dbraw/zinc/02/74/66/823027466.db2.gz FTXOXMRRDHIHCN-CQSZACIVSA-N 0 1 380.400 4.492 20 5 GIBDMN Cc1cc(NCC2([N@@H+](C)Cc3ccccc3)CCC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000570399537 823032933 /nfs/dbraw/zinc/03/29/33/823032933.db2.gz GPUGBLJUNKHMLV-UHFFFAOYSA-N 0 1 383.448 4.068 20 5 GIBDMN Cc1ccc(CNC(=O)c2cccc(CNCc3cccc([N+](=O)[O-])c3)c2)cc1 ZINC000060979090 823570919 /nfs/dbraw/zinc/57/09/19/823570919.db2.gz UZIJCVXVBVHEDG-UHFFFAOYSA-N 0 1 389.455 4.123 20 5 GIBDMN Cc1ccc2nc([C@@H]3CCCN3C(=O)C=Cc3ccc([N+](=O)[O-])cc3)[nH]c2c1 ZINC000061234950 823586326 /nfs/dbraw/zinc/58/63/26/823586326.db2.gz WWNLTDFLFWBULL-SSVWKNEZSA-N 0 1 376.416 4.156 20 5 GIBDMN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc2nc(C3CC3)sc2c1 ZINC000063879523 823704848 /nfs/dbraw/zinc/70/48/48/823704848.db2.gz DIDOOOSHDYMHTK-UHFFFAOYSA-N 0 1 389.458 4.191 20 5 GIBDMN C[C@H](CCc1ccccc1[N+](=O)[O-])N[C@H](C)c1nc(Cc2ccccc2)no1 ZINC000191599851 823708551 /nfs/dbraw/zinc/70/85/51/823708551.db2.gz SXMUPSHRPQWWRX-HZPDHXFCSA-N 0 1 380.448 4.241 20 5 GIBDMN Cc1c(NC(=O)CCN(C)[C@@H](C)c2cc(F)ccc2F)cccc1[N+](=O)[O-] ZINC000165186721 823838931 /nfs/dbraw/zinc/83/89/31/823838931.db2.gz WVGVIKKNXCCQRJ-ZDUSSCGKSA-N 0 1 377.391 4.203 20 5 GIBDMN COc1cc(CN[C@@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)c([N+](=O)[O-])cc1F ZINC000192085950 823855277 /nfs/dbraw/zinc/85/52/77/823855277.db2.gz GRBVFJXEHSLSTL-CRAIPNDOSA-N 0 1 398.793 4.155 20 5 GIBDMN CCOc1ccc([N+](=O)[O-])cc1CN1CCC[C@H]1C[C@H](O)c1cccs1 ZINC000175842497 823052892 /nfs/dbraw/zinc/05/28/92/823052892.db2.gz APNYZKYLIFICON-RDJZCZTQSA-N 0 1 376.478 4.143 20 5 GIBDMN C[C@H](N[C@@H](C)c1cccc(C(F)(F)F)c1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000120984697 823097657 /nfs/dbraw/zinc/09/76/57/823097657.db2.gz KGRHPTQZOSWBTB-RYUDHWBXSA-N 0 1 381.354 4.291 20 5 GIBDMN COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000056196560 823100768 /nfs/dbraw/zinc/10/07/68/823100768.db2.gz VNLFZBBHRYQCNH-CHWSQXEVSA-N 0 1 391.855 4.243 20 5 GIBDMN C[C@@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccccc1C(F)(F)F ZINC000056196945 823100843 /nfs/dbraw/zinc/10/08/43/823100843.db2.gz KZGDQBNNUKQGIE-NWDGAFQWSA-N 0 1 381.354 4.291 20 5 GIBDMN CCC[C@@H]1CN(c2cc(C)c([N+](=O)[O-])c(C(=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000571049055 823124809 /nfs/dbraw/zinc/12/48/09/823124809.db2.gz CKFRHBJUNCICNO-GOSISDBHSA-N 0 1 397.475 4.092 20 5 GIBDMN COc1ccc(Cl)cc1-c1n[nH]c(SCc2ccc([N+](=O)[O-])cc2)n1 ZINC000006464092 817695411 /nfs/dbraw/zinc/69/54/11/817695411.db2.gz LGBYRLDFZYJVQH-UHFFFAOYSA-N 0 1 376.825 4.334 20 5 GIBDMN C[C@H](Sc1nc(C=Cc2ccccc2)n[nH]1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000012834670 818185351 /nfs/dbraw/zinc/18/53/51/818185351.db2.gz SFTGSVOJSXYHHS-NHAQELONSA-N 0 1 395.444 4.003 20 5 GIBDMN C[C@H](N[C@@H](C)c1ccc(Br)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000023994727 819004428 /nfs/dbraw/zinc/00/44/28/819004428.db2.gz OWNHXSKWTCFYHO-RYUDHWBXSA-N 0 1 392.253 4.035 20 5 GIBDMN CCS[C@H]1CCCC[C@H]1N[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000189505286 823433166 /nfs/dbraw/zinc/43/31/66/823433166.db2.gz WKLBYUWXXYJRPQ-MAZHCROVSA-N 0 1 376.482 4.360 20 5 GIBDMN CC(=O)c1ccc(NCc2ccc(CN3C[C@@H](C)O[C@H](C)C3)cc2)c([N+](=O)[O-])c1 ZINC000030001670 820566098 /nfs/dbraw/zinc/56/60/98/820566098.db2.gz UHDIMEVMIQUQJT-HZPDHXFCSA-N 0 1 397.475 4.019 20 5 GIBDMN Cc1nc([C@@H]2CCCN2CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)cs1 ZINC000189855930 823506605 /nfs/dbraw/zinc/50/66/05/823506605.db2.gz JCZRTFMWGKQDAJ-KRWDZBQOSA-N 0 1 384.461 4.394 20 5 GIBDMN Cc1nc(NC(=O)c2cccc(CN(C)Cc3ccccc3)c2)ccc1[N+](=O)[O-] ZINC000177664994 823510347 /nfs/dbraw/zinc/51/03/47/823510347.db2.gz GFLPUJOKYYLLNJ-UHFFFAOYSA-N 0 1 390.443 4.183 20 5 GIBDMN CC(C)Oc1ccc([N+](=O)[O-])cc1CN[C@H](C)c1ccc(-n2cccn2)cc1 ZINC000180832501 821486043 /nfs/dbraw/zinc/48/60/43/821486043.db2.gz ACQILKFIBHFTQJ-MRXNPFEDSA-N 0 1 380.448 4.419 20 5 GIBDMN C[C@@H](N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)c1ccc(-c2cccnc2)cc1 ZINC000181304115 821744708 /nfs/dbraw/zinc/74/47/08/821744708.db2.gz VQYWNWVATKXVMK-CVEARBPZSA-N 0 1 390.443 4.335 20 5 GIBDMN Cc1c([C@@H](C)N[C@H](CO)c2cccc(Br)c2)cccc1[N+](=O)[O-] ZINC000181392522 821802419 /nfs/dbraw/zinc/80/24/19/821802419.db2.gz YJQWRFUAJHMNOQ-MLGOLLRUSA-N 0 1 379.254 4.050 20 5 GIBDMN Cc1ccc([C@@H](C)NCC(=O)Nc2c(Cl)cccc2Cl)cc1[N+](=O)[O-] ZINC000181819777 822005747 /nfs/dbraw/zinc/00/57/47/822005747.db2.gz AXBIGQCMNMUBMA-LLVKDONJSA-N 0 1 382.247 4.499 20 5 GIBDMN COc1cc(Cl)c(C)cc1NC(=O)CN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000181838130 822013413 /nfs/dbraw/zinc/01/34/13/822013413.db2.gz YGOCDBFSEUWCGK-CYBMUJFWSA-N 0 1 391.855 4.163 20 5 GIBDMN Cc1[nH]ncc1CCCNC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000179151594 822444399 /nfs/dbraw/zinc/44/43/99/822444399.db2.gz OCUMJTHEWVXIBO-UHFFFAOYSA-N 0 1 396.472 4.140 20 5 GIBDMN C[C@H](NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])c1cccc(OC(F)F)c1 ZINC000179594647 822509212 /nfs/dbraw/zinc/50/92/12/822509212.db2.gz OGVOJKRMKSQNEP-JTQLQIEISA-N 0 1 399.781 4.139 20 5 GIBDMN Cc1c([C@@H](C)N[C@@H](CC(C)C)C(=O)Nc2nccs2)cccc1[N+](=O)[O-] ZINC000179599784 822510235 /nfs/dbraw/zinc/51/02/35/822510235.db2.gz AKMNIEOXZFCJJS-HIFRSBDPSA-N 0 1 376.482 4.064 20 5 GIBDMN C[C@@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(OC(F)F)cc1 ZINC000179600441 822510544 /nfs/dbraw/zinc/51/05/44/822510544.db2.gz ZPDUUFQKKAYKQX-SNVBAGLBSA-N 0 1 399.781 4.139 20 5 GIBDMN C[C@@H](NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(OC(F)F)cc1 ZINC000179614021 822513070 /nfs/dbraw/zinc/51/30/70/822513070.db2.gz FFCGSIFMRBKWTB-SNVBAGLBSA-N 0 1 399.781 4.139 20 5 GIBDMN Cc1nc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c(Cl)cc1Cl ZINC000179643783 822518658 /nfs/dbraw/zinc/51/86/58/822518658.db2.gz HJGSQUYCENWZDP-UHFFFAOYSA-N 0 1 396.639 4.059 20 5 GIBDMN O=[N+]([O-])c1ccc(CNCCc2nc(-c3ccc(Cl)cc3)no2)c(Cl)c1 ZINC000183739847 822519852 /nfs/dbraw/zinc/51/98/52/822519852.db2.gz RKHCRWQJFIYHPM-UHFFFAOYSA-N 0 1 393.230 4.284 20 5 GIBDMN CC(C)Oc1cccc([C@H](C)NCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000179663801 822522745 /nfs/dbraw/zinc/52/27/45/822522745.db2.gz NGTHMCMIFMKDIP-ZDUSSCGKSA-N 0 1 391.855 4.325 20 5 GIBDMN COc1cccc(-c2nc(C)c(C(=O)O[C@H](C)c3ccc([N+](=O)[O-])cc3)[nH]2)c1 ZINC000179809673 822557365 /nfs/dbraw/zinc/55/73/65/822557365.db2.gz MGTLCUITBRMDII-CYBMUJFWSA-N 0 1 381.388 4.220 20 5 GIBDMN C[C@@H](NCCC(=O)Nc1ccccc1[N+](=O)[O-])c1nc(-c2ccccc2)cs1 ZINC000184535216 822652942 /nfs/dbraw/zinc/65/29/42/822652942.db2.gz MHJSEQYZKCZNCF-CQSZACIVSA-N 0 1 396.472 4.398 20 5 GIBDMN CCc1ccccc1NC(=O)C[C@H](C)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000184664622 822672746 /nfs/dbraw/zinc/67/27/46/822672746.db2.gz VPIHWCBJCBIWET-ZDUSSCGKSA-N 0 1 375.856 4.318 20 5 GIBDMN C[C@H](NCC(=O)Nc1ccccc1SC(F)F)c1cccc([N+](=O)[O-])c1 ZINC000180400595 822675790 /nfs/dbraw/zinc/67/57/90/822675790.db2.gz XCUVFOLEQHDTOG-NSHDSACASA-N 0 1 381.404 4.199 20 5 GIBDMN O=[N+]([O-])c1ccc(CN[C@H]2CCCOc3c(Br)cccc32)cc1 ZINC000180416649 822678107 /nfs/dbraw/zinc/67/81/07/822678107.db2.gz WPIHWKFVXQDSTR-INIZCTEOSA-N 0 1 377.238 4.361 20 5 GIBDMN CCOc1ccc([C@@H](C)NCc2cn(C)nc2-c2ccccc2)cc1[N+](=O)[O-] ZINC000180418642 822678224 /nfs/dbraw/zinc/67/82/24/822678224.db2.gz UWVYPEBWYCKBDV-OAHLLOKOSA-N 0 1 380.448 4.245 20 5 GIBDMN CCOc1ccc([C@@H]2CCCN2C(=O)CN[C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000180433264 822680921 /nfs/dbraw/zinc/68/09/21/822680921.db2.gz PKZMYHZESIBCTL-IERDGZPVSA-N 0 1 397.475 4.008 20 5 GIBDMN CCOc1ccc([C@H]2CCCN2C(=O)CN[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000180433246 822680947 /nfs/dbraw/zinc/68/09/47/822680947.db2.gz PKZMYHZESIBCTL-HRAATJIYSA-N 0 1 397.475 4.008 20 5 GIBDMN C[C@H](NCC(=O)N[C@H](c1cccs1)C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000180438529 822682148 /nfs/dbraw/zinc/68/21/48/822682148.db2.gz MCELFIQRDWKEIX-SCLBCKFNSA-N 0 1 375.494 4.211 20 5 GIBDMN C[C@H](c1cc2ccccc2o1)N(C)C(=O)CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180440779 822682588 /nfs/dbraw/zinc/68/25/88/822682588.db2.gz LCQZZYXOMIUGMR-LSDHHAIUSA-N 0 1 381.432 4.211 20 5 GIBDMN CN(C)[C@@H](CNC(=O)c1cc2ccccc2c2cccnc12)c1ccsc1 ZINC000049657393 822704818 /nfs/dbraw/zinc/70/48/18/822704818.db2.gz LRONLMGGIRAHOF-FQEVSTJZSA-N 0 1 375.497 4.482 20 5 GIBDMN Cc1ccsc1[C@H](Cc1ccccc1)NCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000184957874 822718412 /nfs/dbraw/zinc/71/84/12/822718412.db2.gz MFXXORYBDMBLTK-SFHVURJKSA-N 0 1 395.484 4.137 20 5 GIBDMN COc1ccccc1C[C@H](NCc1nc(-c2cccc([N+](=O)[O-])c2)no1)C(C)C ZINC000185875875 822829299 /nfs/dbraw/zinc/82/92/99/822829299.db2.gz XYAOWMNLQTZVMG-SFHVURJKSA-N 0 1 396.447 4.010 20 5 GIBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](c1ccc(F)cc1)C(C)(C)C ZINC000053644341 822843620 /nfs/dbraw/zinc/84/36/20/822843620.db2.gz GSKMDOIHPWDLKX-IBGZPJMESA-N 0 1 389.427 4.058 20 5 GIBDMN Cc1csc(C2(NCCC(=O)Nc3cccc([N+](=O)[O-])c3C)CCCC2)n1 ZINC000175018389 822868215 /nfs/dbraw/zinc/86/82/15/822868215.db2.gz FWFLISLSLWBQMM-UHFFFAOYSA-N 0 1 388.493 4.056 20 5 GIBDMN C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC000569008610 822869303 /nfs/dbraw/zinc/86/93/03/822869303.db2.gz XKNBSNCRRQXAJG-MRXNPFEDSA-N 0 1 397.475 4.208 20 5 GIBDMN O=C(Cc1ccccc1[N+](=O)[O-])N1CCCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000457393528 822872641 /nfs/dbraw/zinc/87/26/41/822872641.db2.gz ZQNJOAYPQKUZPD-GOSISDBHSA-N 0 1 398.850 4.421 20 5 GIBDMN CCNC(=O)[C@@H](C)NCc1ccc(Oc2cc(C)ccc2C(C)C)c([N+](=O)[O-])c1 ZINC000060843244 823561446 /nfs/dbraw/zinc/56/14/46/823561446.db2.gz KNRCLQARVLXUKN-MRXNPFEDSA-N 0 1 399.491 4.433 20 5 GIBDMN CCOc1ccc([C@H](C)N[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000124835581 823629705 /nfs/dbraw/zinc/62/97/05/823629705.db2.gz GNRBTICVLHRXTL-STQMWFEESA-N 0 1 391.855 4.325 20 5 GIBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000125006648 823644461 /nfs/dbraw/zinc/64/44/61/823644461.db2.gz LBJAZXVTLFDGJI-QGZVFWFLSA-N 0 1 392.419 4.057 20 5 GIBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000125006648 823644463 /nfs/dbraw/zinc/64/44/63/823644463.db2.gz LBJAZXVTLFDGJI-QGZVFWFLSA-N 0 1 392.419 4.057 20 5 GIBDMN Cc1cc([N+](=O)[O-])c(C)cc1NS(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000191565337 823700648 /nfs/dbraw/zinc/70/06/48/823700648.db2.gz RDDIIABNJALOSP-UHFFFAOYSA-N 0 1 392.330 4.170 20 5 GIBDMN C[C@@H](N[C@@H](C)c1ccc(OC(F)(F)F)cc1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000125770845 823706675 /nfs/dbraw/zinc/70/66/75/823706675.db2.gz LOCZYFOGEWUNNQ-NWDGAFQWSA-N 0 1 397.353 4.171 20 5 GIBDMN Cc1cc([N+](=O)[O-])c(C)cc1NS(=O)(=O)c1ccc(CC(F)(F)F)cc1 ZINC000191804358 823774584 /nfs/dbraw/zinc/77/45/84/823774584.db2.gz ZIUZWXBRDZFXGM-UHFFFAOYSA-N 0 1 388.367 4.117 20 5 GIBDMN O=C(CN1CCCCCC1)Nc1cccc(NCc2ccc([N+](=O)[O-])cc2)c1 ZINC000126153846 823801053 /nfs/dbraw/zinc/80/10/53/823801053.db2.gz AUTDUQUYSJLJBX-UHFFFAOYSA-N 0 1 382.464 4.021 20 5 GIBDMN Cc1ccc(CN[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(OC[C@@H]2CCOC2)c1 ZINC000167183619 823888280 /nfs/dbraw/zinc/88/82/80/823888280.db2.gz UJHHOIGOEDTDKZ-ZWKOTPCHSA-N 0 1 384.476 4.478 20 5 GIBDMN Cc1ccc(CN[C@H](C)c2cccc([N+](=O)[O-])c2C)c(OC[C@H]2CCOC2)c1 ZINC000167192094 823888873 /nfs/dbraw/zinc/88/88/73/823888873.db2.gz HVPYWDSMCQXDJF-MSOLQXFVSA-N 0 1 384.476 4.478 20 5 GIBDMN C[C@H](c1ccc(F)cc1)N1CCC[C@H](N[C@@H]2CCc3c2cccc3[N+](=O)[O-])C1=O ZINC000575071833 823904284 /nfs/dbraw/zinc/90/42/84/823904284.db2.gz IJVXKWMKPNBCEZ-XMCHAPAWSA-N 0 1 397.450 4.063 20 5 GIBDMN C[C@H](c1ccc(F)cc1)N1CCC[C@@H](N[C@@H]2CCc3c2cccc3[N+](=O)[O-])C1=O ZINC000575071830 823904524 /nfs/dbraw/zinc/90/45/24/823904524.db2.gz IJVXKWMKPNBCEZ-JSNMRZPZSA-N 0 1 397.450 4.063 20 5 GIBDMN O=[N+]([O-])c1ccc(-c2ccc(CN3CCO[C@@]4(CCSC4)C3)s2)cc1 ZINC000575124964 823918266 /nfs/dbraw/zinc/91/82/66/823918266.db2.gz QDVDZKXQQALPBX-SFHVURJKSA-N 0 1 376.503 4.031 20 5 GIBDMN O=[N+]([O-])c1ccc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2)c2cccnc21 ZINC000462374289 823947358 /nfs/dbraw/zinc/94/73/58/823947358.db2.gz VJVIEBAYFUCFOD-UHFFFAOYSA-N 0 1 398.227 4.251 20 5 GIBDMN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](c1ccco1)N1CCCCC1 ZINC000462390529 823956835 /nfs/dbraw/zinc/95/68/35/823956835.db2.gz VEOBPYKARVKTGH-AZUAARDMSA-N 0 1 399.491 4.100 20 5 GIBDMN Cc1ccc(Nc2ccccc2NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000024101384 207287323 /nfs/dbraw/zinc/28/73/23/207287323.db2.gz RTDQLXMNZMJKSB-UHFFFAOYSA-N 0 1 383.429 4.448 20 5 GIBDMN C[C@@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000056197096 823101113 /nfs/dbraw/zinc/10/11/13/823101113.db2.gz VBOSOZKVYZFDLB-NWDGAFQWSA-N 0 1 397.353 4.171 20 5 GIBDMN O=C(NCCc1nc2ccc(F)cc2[nH]1)c1cc2ccccc2c2cccnc12 ZINC000176152098 823137007 /nfs/dbraw/zinc/13/70/07/823137007.db2.gz IZJQLIMXVYKCLH-UHFFFAOYSA-N 0 1 384.414 4.376 20 5 GIBDMN COc1cc(CNCc2cccc(C)n2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000121212396 823139780 /nfs/dbraw/zinc/13/97/80/823139780.db2.gz PNKZJOIVHKEGET-UHFFFAOYSA-N 0 1 393.443 4.176 20 5 GIBDMN CCOc1cc(CN2CCC3(CC2)OCCc2ccccc23)ccc1[N+](=O)[O-] ZINC000459520826 823210128 /nfs/dbraw/zinc/21/01/28/823210128.db2.gz LDYGZPJOSFYBQN-UHFFFAOYSA-N 0 1 382.460 4.058 20 5 GIBDMN CCn1c(C)nc([N+](=O)[O-])c1NC[C@H](c1cccc(Cl)c1)N1CCCC1 ZINC000571952987 823259432 /nfs/dbraw/zinc/25/94/32/823259432.db2.gz OKTVKFGCAQUDHT-MRXNPFEDSA-N 0 1 377.876 4.022 20 5 GIBDMN O=[N+]([O-])c1ccc(Nc2ccccc2)c(NS(=O)(=O)c2cccc(F)c2)c1 ZINC000007051973 817747506 /nfs/dbraw/zinc/74/75/06/817747506.db2.gz JTCMHAYKPMYLAH-UHFFFAOYSA-N 0 1 387.392 4.278 20 5 GIBDMN CCc1n[nH]c(S[C@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)n1 ZINC000011711548 818111507 /nfs/dbraw/zinc/11/15/07/818111507.db2.gz AXOVHERURDAGLO-KRWDZBQOSA-N 0 1 397.460 4.056 20 5 GIBDMN CCc1nc(S[C@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)n[nH]1 ZINC000011711548 818111511 /nfs/dbraw/zinc/11/15/11/818111511.db2.gz AXOVHERURDAGLO-KRWDZBQOSA-N 0 1 397.460 4.056 20 5 GIBDMN O=[N+]([O-])c1cc(CSc2nc(C=Cc3ccccc3)n[nH]2)c2c(c1)COCO2 ZINC000012834793 818186191 /nfs/dbraw/zinc/18/61/91/818186191.db2.gz WDMQBVOOYVVUFC-VOTSOKGWSA-N 0 1 396.428 4.042 20 5 GIBDMN C[C@H](N[C@@H]1CCSc2ccc(Cl)cc21)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000025216197 819944118 /nfs/dbraw/zinc/94/41/18/819944118.db2.gz XWJOAJLMFLFZQE-SMDDNHRTSA-N 0 1 391.880 4.402 20 5 GIBDMN COc1cc(NC2CCN([C@H](C)c3cccc([N+](=O)[O-])c3)CC2)cc(OC)c1 ZINC000177370422 823447603 /nfs/dbraw/zinc/44/76/03/823447603.db2.gz BGIMVPHIHSHUSS-OAHLLOKOSA-N 0 1 385.464 4.250 20 5 GIBDMN Cc1csc(-c2cccc(S(=O)(=O)Nc3ccc([N+](=O)[O-])cc3C)c2)n1 ZINC000410334370 823466163 /nfs/dbraw/zinc/46/61/63/823466163.db2.gz DXVAWHYQHWFLGV-UHFFFAOYSA-N 0 1 389.458 4.136 20 5 GIBDMN O=C(NC[C@H](c1cccc(Cl)c1)N1CCCC1)Nc1cccc([N+](=O)[O-])c1 ZINC000031092768 820738941 /nfs/dbraw/zinc/73/89/41/820738941.db2.gz RWTFHEWKUXLPBR-GOSISDBHSA-N 0 1 388.855 4.207 20 5 GIBDMN Cc1nc(-c2ccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3C)cc2)cs1 ZINC000032589076 820973694 /nfs/dbraw/zinc/97/36/94/820973694.db2.gz ZTWHKMMPWQQBHL-UHFFFAOYSA-N 0 1 389.458 4.136 20 5 GIBDMN O=C(c1ccc(Cl)cc1)C1CCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000060482295 823532800 /nfs/dbraw/zinc/53/28/00/823532800.db2.gz VYSYDBQPOOUAHB-UHFFFAOYSA-N 0 1 388.851 4.222 20 5 GIBDMN COc1ccc(CNC2(c3cccc(Br)c3)CC2)cc1[N+](=O)[O-] ZINC000123743612 823536559 /nfs/dbraw/zinc/53/65/59/823536559.db2.gz BKPHBDAVIDYAQK-UHFFFAOYSA-N 0 1 377.238 4.145 20 5 GIBDMN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](c1cccs1)N(C)C ZINC000180716015 821414257 /nfs/dbraw/zinc/41/42/57/821414257.db2.gz JSQDKSKQPPLSFW-HNNXBMFYSA-N 0 1 393.534 4.190 20 5 GIBDMN C[C@@H](O)[C@@H]1CCN(Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)C1 ZINC000180870757 821504867 /nfs/dbraw/zinc/50/48/67/821504867.db2.gz IXDJVBWLPBIFBY-UKRRQHHQSA-N 0 1 376.840 4.243 20 5 GIBDMN NC(=O)c1ccc(CN[C@H](c2cccc(Cl)c2)C2CCCC2)c([N+](=O)[O-])c1 ZINC000181034822 821604028 /nfs/dbraw/zinc/60/40/28/821604028.db2.gz DBMWSZCLKUAJSR-IBGZPJMESA-N 0 1 387.867 4.368 20 5 GIBDMN Cc1ccc2[nH]c([C@@H]3CCCN(Cc4nc5cc([N+](=O)[O-])ccc5o4)C3)nc2c1 ZINC000181150816 821665575 /nfs/dbraw/zinc/66/55/75/821665575.db2.gz HCFFBVTWWCWSPG-CQSZACIVSA-N 0 1 391.431 4.300 20 5 GIBDMN Cc1ccc2nc([C@@H]3CCCN(Cc4nc5cc([N+](=O)[O-])ccc5o4)C3)[nH]c2c1 ZINC000181150816 821665582 /nfs/dbraw/zinc/66/55/82/821665582.db2.gz HCFFBVTWWCWSPG-CQSZACIVSA-N 0 1 391.431 4.300 20 5 GIBDMN CC(C)Oc1ccc([N+](=O)[O-])cc1CN[C@@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000181279064 821731736 /nfs/dbraw/zinc/73/17/36/821731736.db2.gz AQWLKFKEVQGFJU-HNNXBMFYSA-N 0 1 399.447 4.189 20 5 GIBDMN CC(C)Oc1ccc([N+](=O)[O-])cc1CN[C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000181312526 821750999 /nfs/dbraw/zinc/75/09/99/821750999.db2.gz BIKJGXAJSVBGEP-HNNXBMFYSA-N 0 1 399.447 4.189 20 5 GIBDMN CCOc1ccc(NC(=O)CN[C@@H](C)c2cc3ccccc3o2)c([N+](=O)[O-])c1 ZINC000181757854 821979122 /nfs/dbraw/zinc/97/91/22/821979122.db2.gz LYUXXUIHRZTYIS-ZDUSSCGKSA-N 0 1 383.404 4.029 20 5 GIBDMN C[C@@H](NCc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccc(Oc2ccccc2)cc1 ZINC000181808782 822001760 /nfs/dbraw/zinc/00/17/60/822001760.db2.gz DYQAHSQDPBLJMQ-OAHLLOKOSA-N 0 1 391.427 4.337 20 5 GIBDMN Cc1ccc([C@H](C)NCC(=O)N(C)[C@@H](C)c2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC000181828379 822009567 /nfs/dbraw/zinc/00/95/67/822009567.db2.gz HPRLSDFVLHRSFZ-KBPBESRZSA-N 0 1 391.418 4.052 20 5 GIBDMN Cn1ccnc1COc1ccc(CN(Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000178075628 822310320 /nfs/dbraw/zinc/31/03/20/822310320.db2.gz HSJGPEMSQTVXEU-UHFFFAOYSA-N 0 1 392.459 4.072 20 5 GIBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC(NC(=O)Nc2ccccc2)CC1 ZINC000182861167 822381232 /nfs/dbraw/zinc/38/12/32/822381232.db2.gz UMDDXDGORFDNPT-MRXNPFEDSA-N 0 1 382.464 4.250 20 5 GIBDMN Cc1cc(Br)c(O)c(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000182906230 822390193 /nfs/dbraw/zinc/39/01/93/822390193.db2.gz BESSCOJQGLWTBD-UHFFFAOYSA-N 0 1 385.601 4.277 20 5 GIBDMN CSc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(C)cc(Br)c2O)c1 ZINC000182913342 822391570 /nfs/dbraw/zinc/39/15/70/822391570.db2.gz WFQCWTJVEUZJGX-UHFFFAOYSA-N 0 1 397.250 4.346 20 5 GIBDMN CN(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)Cc1ccncc1 ZINC000183744239 822520847 /nfs/dbraw/zinc/52/08/47/822520847.db2.gz GMLUFRZTOYMATC-UHFFFAOYSA-N 0 1 399.454 4.475 20 5 GIBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@H](C)c1ccc(F)cc1Cl ZINC000183776410 822527003 /nfs/dbraw/zinc/52/70/03/822527003.db2.gz UWTYHWFCHZJOLP-LLVKDONJSA-N 0 1 395.818 4.075 20 5 GIBDMN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 ZINC000047262372 822559977 /nfs/dbraw/zinc/55/99/77/822559977.db2.gz GJPJJPREVQPHHD-CYBMUJFWSA-N 0 1 388.855 4.055 20 5 GIBDMN CCOc1ccc(C(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)cc1[N+](=O)[O-] ZINC000179852720 822566454 /nfs/dbraw/zinc/56/64/54/822566454.db2.gz GWLNXYVXCYHRDT-UHFFFAOYSA-N 0 1 376.319 4.060 20 5 GIBDMN O=[N+]([O-])c1ccc(OC2CCN(Cc3cnc(-c4ccccc4)[nH]3)CC2)cc1 ZINC000179909041 822575115 /nfs/dbraw/zinc/57/51/15/822575115.db2.gz MSBNSDMRIXMAAQ-UHFFFAOYSA-N 0 1 378.432 4.028 20 5 GIBDMN CCC[C@H](NCc1ccc(S(=O)(=O)CC)cc1)c1cccc([N+](=O)[O-])c1 ZINC000179941202 822581737 /nfs/dbraw/zinc/58/17/37/822581737.db2.gz BJCDGXUSUKWWOK-IBGZPJMESA-N 0 1 376.478 4.019 20 5 GIBDMN Cc1ccc2nc(CNC(=O)c3cc([N+](=O)[O-])ccc3SC(C)C)[nH]c2c1 ZINC000180231106 822644614 /nfs/dbraw/zinc/64/46/14/822644614.db2.gz VAQGOALJZUFUQN-UHFFFAOYSA-N 0 1 384.461 4.210 20 5 GIBDMN Cc1nc(-c2cccc(NC(=O)CN[C@H](C)c3cccc([N+](=O)[O-])c3)c2)cs1 ZINC000180397324 822675401 /nfs/dbraw/zinc/67/54/01/822675401.db2.gz HCJSFEHXNGAYQH-CYBMUJFWSA-N 0 1 396.472 4.316 20 5 GIBDMN Cc1ccc([C@H](C)NCC(=O)Nc2cc(Cl)ccc2Cl)cc1[N+](=O)[O-] ZINC000180436601 822681557 /nfs/dbraw/zinc/68/15/57/822681557.db2.gz OUKTVGQLFWVOFI-NSHDSACASA-N 0 1 382.247 4.499 20 5 GIBDMN C[C@@H](NCC(=O)N(C)[C@H](C)c1cc2ccccc2o1)c1cccc([N+](=O)[O-])c1 ZINC000180440796 822682640 /nfs/dbraw/zinc/68/26/40/822682640.db2.gz LCQZZYXOMIUGMR-HUUCEWRRSA-N 0 1 381.432 4.211 20 5 GIBDMN CC[C@@H](NCCOc1ccc([N+](=O)[O-])cc1)c1nc(C(F)(F)F)cs1 ZINC000185940153 822835449 /nfs/dbraw/zinc/83/54/49/822835449.db2.gz FNAAJSWOUJONHQ-GFCCVEGCSA-N 0 1 375.372 4.190 20 5 GIBDMN CC[C@@H](NCCOc1cccc([N+](=O)[O-])c1)c1nc(C(F)(F)F)cs1 ZINC000185960910 822837969 /nfs/dbraw/zinc/83/79/69/822837969.db2.gz SXLBLZYQGXFEKJ-GFCCVEGCSA-N 0 1 375.372 4.190 20 5 GIBDMN Cc1csc(C2(NCCC(=O)Nc3ccc([N+](=O)[O-])cc3C)CCCC2)n1 ZINC000175017413 822868045 /nfs/dbraw/zinc/86/80/45/822868045.db2.gz SXFRPKQRDAQSSC-UHFFFAOYSA-N 0 1 388.493 4.056 20 5 GIBDMN COc1cc(CNC[C@H](c2ccccc2)C(F)(F)F)c([N+](=O)[O-])cc1OC ZINC000186438463 822895821 /nfs/dbraw/zinc/89/58/21/822895821.db2.gz KAPPBNJHFCIIHO-CQSZACIVSA-N 0 1 384.354 4.048 20 5 GIBDMN Cc1c(NC(=O)[C@@H](C)N[C@H](C)c2ccccc2OC(C)C)cccc1[N+](=O)[O-] ZINC000055151858 822940994 /nfs/dbraw/zinc/94/09/94/822940994.db2.gz NLLXPNMNSUEPAK-HZPDHXFCSA-N 0 1 385.464 4.368 20 5 GIBDMN CCn1c(C)nc([N+](=O)[O-])c1N[C@H]1CCN(C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000569614360 822944897 /nfs/dbraw/zinc/94/48/97/822944897.db2.gz JKXJFBXUJBJZKX-IRXDYDNUSA-N 0 1 393.438 4.034 20 5 GIBDMN CSc1cccc(C(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)c1[N+](=O)[O-] ZINC000186896383 822976588 /nfs/dbraw/zinc/97/65/88/822976588.db2.gz VWBKGCCAFLIDSW-UHFFFAOYSA-N 0 1 378.360 4.383 20 5 GIBDMN Cc1nc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)[nH]c1-c1ccccc1 ZINC000187134019 823015739 /nfs/dbraw/zinc/01/57/39/823015739.db2.gz ZAOBXNOTNLBALF-UHFFFAOYSA-N 0 1 382.445 4.333 20 5 GIBDMN CC(C)c1ccc(C(=O)NC2CCN([C@H](C)c3ccncc3)CC2)cc1[N+](=O)[O-] ZINC000190256937 823556919 /nfs/dbraw/zinc/55/69/19/823556919.db2.gz MHVHNIYHHPVYRA-MRXNPFEDSA-N 0 1 396.491 4.069 20 5 GIBDMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000190447015 823575641 /nfs/dbraw/zinc/57/56/41/823575641.db2.gz KRPVZDBQNANIII-UHFFFAOYSA-N 0 1 396.491 4.031 20 5 GIBDMN O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2CNCc2cccnc2)cc1 ZINC000061554867 823603449 /nfs/dbraw/zinc/60/34/49/823603449.db2.gz QWVYRXOEQBEVGZ-UHFFFAOYSA-N 0 1 385.427 4.132 20 5 GIBDMN Cc1c(NC(=O)N2CCC[C@@H]2c2n[nH]c(-c3ccccc3)n2)cccc1[N+](=O)[O-] ZINC000125226335 823660422 /nfs/dbraw/zinc/66/04/22/823660422.db2.gz ZZZXQGVMIHMQGX-QGZVFWFLSA-N 0 1 392.419 4.057 20 5 GIBDMN Cc1c(NC(=O)N2CCC[C@@H]2c2nc(-c3ccccc3)n[nH]2)cccc1[N+](=O)[O-] ZINC000125226335 823660423 /nfs/dbraw/zinc/66/04/23/823660423.db2.gz ZZZXQGVMIHMQGX-QGZVFWFLSA-N 0 1 392.419 4.057 20 5 GIBDMN O=C(c1cccc([N+](=O)[O-])c1)N1CCN(Cc2ccccc2)C2(CCCCC2)C1 ZINC000461582235 823664491 /nfs/dbraw/zinc/66/44/91/823664491.db2.gz UAROPULRXJJQNE-UHFFFAOYSA-N 0 1 393.487 4.256 20 5 GIBDMN O=[N+]([O-])c1cc(CN2CCC[C@@H]2Cc2ccccc2Cl)c2c(c1)COCO2 ZINC000064249552 823780255 /nfs/dbraw/zinc/78/02/55/823780255.db2.gz YMASCDUHRFGADI-QGZVFWFLSA-N 0 1 388.851 4.322 20 5 GIBDMN COc1ccc([C@H](CO)N(C)Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000126411508 823860297 /nfs/dbraw/zinc/86/02/97/823860297.db2.gz VPKQWTSZWPOATG-FQEVSTJZSA-N 0 1 382.416 4.029 20 5 GIBDMN Cc1ccc(CN[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(OC[C@@H]2CCOC2)c1 ZINC000167183818 823888208 /nfs/dbraw/zinc/88/82/08/823888208.db2.gz UJHHOIGOEDTDKZ-QZTJIDSGSA-N 0 1 384.476 4.478 20 5 GIBDMN CCc1nn(C)c(CC)c1CNCc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000169256420 823910309 /nfs/dbraw/zinc/91/03/09/823910309.db2.gz IPYKRLRRDIOUPR-UHFFFAOYSA-N 0 1 398.463 4.012 20 5 GIBDMN CCC[C@@H](N[C@H]1c2sccc2OC(C)(C)[C@@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000414181609 823924029 /nfs/dbraw/zinc/92/40/29/823924029.db2.gz MOFUWOOWQUVMMY-UWWQBHOKSA-N 0 1 376.478 4.360 20 5 GIBDMN CO[C@H]1c2ccccc2C[C@H]1NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000414492446 823994688 /nfs/dbraw/zinc/99/46/88/823994688.db2.gz FTHJFCGDVZFRNE-MOPGFXCFSA-N 0 1 381.457 4.120 20 5 GIBDMN O=[N+]([O-])c1cc(Cl)nc(N2CCC[C@@]3(CCN3Cc3cccc(F)c3)C2)c1 ZINC001164994548 722191931 /nfs/dbraw/zinc/19/19/31/722191931.db2.gz NUYUGZRCXLTIGN-LJQANCHMSA-N 0 1 390.846 4.027 20 5 GIBDMN O=[N+]([O-])c1ccc(-c2nc(CN(Cc3ccccc3)[C@H](CO)C3CC3)co2)cc1 ZINC000121043874 823107904 /nfs/dbraw/zinc/10/79/04/823107904.db2.gz UBPZVEVLYXNSKG-OAQYLSRUSA-N 0 1 393.443 4.023 20 5 GIBDMN O=[N+]([O-])c1ccccc1CNCc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000459396887 823182947 /nfs/dbraw/zinc/18/29/47/823182947.db2.gz WAQCXZJWZMVBLD-UHFFFAOYSA-N 0 1 377.448 4.258 20 5 GIBDMN CSc1cccc(C(=O)N2CC[C@@H](C)N(Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000188180516 823199095 /nfs/dbraw/zinc/19/90/95/823199095.db2.gz XWCLMMYJFLZGFG-MRXNPFEDSA-N 0 1 399.516 4.053 20 5 GIBDMN CC(C)(C)c1nc(CNCc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)n[nH]1 ZINC000459673559 823247734 /nfs/dbraw/zinc/24/77/34/823247734.db2.gz BBEURFBFSDTDCN-UHFFFAOYSA-N 0 1 399.426 4.232 20 5 GIBDMN C[C@@H](NC(c1ccccc1)c1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000016483714 818448556 /nfs/dbraw/zinc/44/85/56/818448556.db2.gz UFQXIJDYBZLBBD-MRXNPFEDSA-N 0 1 375.428 4.301 20 5 GIBDMN Cc1c(C(=O)NC[C@H](c2cccs2)N2CCC(C)CC2)cccc1[N+](=O)[O-] ZINC000018186133 818555137 /nfs/dbraw/zinc/55/51/37/818555137.db2.gz MEHOLNSYUFHWRP-GOSISDBHSA-N 0 1 387.505 4.168 20 5 GIBDMN CC[C@@H](C)c1ccc([C@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])c2cccs2)cc1 ZINC000122402608 823349651 /nfs/dbraw/zinc/34/96/51/823349651.db2.gz HLIODLGBOQTJJV-PXAZEXFGSA-N 0 1 384.461 4.412 20 5 GIBDMN C[C@@H](NCc1csc([N+](=O)[O-])c1)[C@H](OC1CCOCC1)c1ccccc1 ZINC000122768165 823409062 /nfs/dbraw/zinc/40/90/62/823409062.db2.gz RSGDTMNHIXEHPG-KUHUBIRLSA-N 0 1 376.478 4.071 20 5 GIBDMN Cc1ccc(CCC2CCN(C(=O)c3[nH]nc4ccc([N+](=O)[O-])cc43)CC2)cc1 ZINC000028065526 820308810 /nfs/dbraw/zinc/30/88/10/820308810.db2.gz QDYHRLLBSKMWHV-UHFFFAOYSA-N 0 1 392.459 4.265 20 5 GIBDMN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)Nc1cc(Cl)c(Cl)cc1F ZINC000410419634 823491996 /nfs/dbraw/zinc/49/19/96/823491996.db2.gz PTHLPEORXLZQCR-UHFFFAOYSA-N 0 1 399.614 4.495 20 5 GIBDMN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc2oc(C(C)(C)C)nc2c1 ZINC000032097439 820897374 /nfs/dbraw/zinc/89/73/74/820897374.db2.gz CQFZNTFBCHXFJA-UHFFFAOYSA-N 0 1 389.433 4.143 20 5 GIBDMN C[C@H](CCc1ccccc1[N+](=O)[O-])N[C@@H](C)c1nc(-c2cccc(F)c2)no1 ZINC000190039944 823529691 /nfs/dbraw/zinc/52/96/91/823529691.db2.gz XMNBHTZEVKCSGL-KGLIPLIRSA-N 0 1 384.411 4.456 20 5 GIBDMN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](NCCc1ccco1)c1ccccc1 ZINC000043303831 821388808 /nfs/dbraw/zinc/38/88/08/821388808.db2.gz YJWQNEVHVAIURH-LJQANCHMSA-N 0 1 399.834 4.353 20 5 GIBDMN O=C(C1CCCC1)N1CC[C@@H](N[C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)C1 ZINC000180781632 821454738 /nfs/dbraw/zinc/45/47/38/821454738.db2.gz CJSRICZYHQRTTR-IFMALSPDSA-N 0 1 393.487 4.065 20 5 GIBDMN C[C@H](N[C@@H](C)c1ccc(-c2ccncc2)cc1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000180924874 821541077 /nfs/dbraw/zinc/54/10/77/821541077.db2.gz COCJXKIVBRHKKR-HOTGVXAUSA-N 0 1 390.443 4.335 20 5 GIBDMN CC(C)Oc1ccc([N+](=O)[O-])cc1CN[C@@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000181362294 821787995 /nfs/dbraw/zinc/78/79/95/821787995.db2.gz ZODGLJDEEBXWSC-INIZCTEOSA-N 0 1 397.475 4.360 20 5 GIBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@H](C)c1c(F)cccc1Cl ZINC000181763447 821981800 /nfs/dbraw/zinc/98/18/00/821981800.db2.gz CKRWZBKZEVIHHZ-LLVKDONJSA-N 0 1 395.818 4.075 20 5 GIBDMN Cc1ccc([C@H](C)NCC(=O)N(C)[C@H](C)c2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC000181828424 822009646 /nfs/dbraw/zinc/00/96/46/822009646.db2.gz HPRLSDFVLHRSFZ-UONOGXRCSA-N 0 1 391.418 4.052 20 5 GIBDMN Cc1ccc([C@H](C)NCC(=O)Nc2cccc(Cl)c2Cl)cc1[N+](=O)[O-] ZINC000181837891 822013274 /nfs/dbraw/zinc/01/32/74/822013274.db2.gz RQUSHIHBGXTFSE-NSHDSACASA-N 0 1 382.247 4.499 20 5 GIBDMN Cc1ccc(C[C@H](CO)NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1C ZINC000453623281 822394775 /nfs/dbraw/zinc/39/47/75/822394775.db2.gz JJWUOGVUWFXPBJ-GOSISDBHSA-N 0 1 397.500 4.028 20 5 GIBDMN COc1cc(CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)cc(Br)c1OC ZINC000178652232 822399575 /nfs/dbraw/zinc/39/95/75/822399575.db2.gz NTFGCFXNTQLPAC-NSHDSACASA-N 0 1 395.253 4.225 20 5 GIBDMN Cc1ccc([C@@H](C)N[C@@H](C)C(=O)Nc2ccc(OC(F)F)cc2)cc1[N+](=O)[O-] ZINC000178682104 822402433 /nfs/dbraw/zinc/40/24/33/822402433.db2.gz DPKMLKHCMXWFCI-OLZOCXBDSA-N 0 1 393.390 4.182 20 5 GIBDMN CCOc1ccc2nc(SCc3nc(-c4cccc([N+](=O)[O-])c4)no3)[nH]c2c1 ZINC000045712892 822407065 /nfs/dbraw/zinc/40/70/65/822407065.db2.gz FNVSZDMPZDRYQG-UHFFFAOYSA-N 0 1 397.416 4.212 20 5 GIBDMN COc1ccc(NC(=O)[C@@H](C)N[C@H](C)c2oc3ccccc3c2C)c([N+](=O)[O-])c1 ZINC000183593480 822498616 /nfs/dbraw/zinc/49/86/16/822498616.db2.gz MRUNUGYRVUIGJX-ZIAGYGMSSA-N 0 1 397.431 4.336 20 5 GIBDMN COc1ccc(NC(=O)[C@H](C)N[C@H](C)c2oc3ccccc3c2C)c([N+](=O)[O-])c1 ZINC000183593448 822498715 /nfs/dbraw/zinc/49/87/15/822498715.db2.gz MRUNUGYRVUIGJX-KGLIPLIRSA-N 0 1 397.431 4.336 20 5 GIBDMN CC[C@H](N[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])c1ccccc1OC(F)F ZINC000179723452 822535353 /nfs/dbraw/zinc/53/53/53/822535353.db2.gz RCZNQNCQWOSOKJ-JSGCOSHPSA-N 0 1 393.390 4.264 20 5 GIBDMN CC(=O)N1CC[C@@H](N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c2ccc(F)cc2C1 ZINC000184534520 822652739 /nfs/dbraw/zinc/65/27/39/822652739.db2.gz YPCQOIUENJNNDR-JLTOFOAXSA-N 0 1 385.439 4.186 20 5 GIBDMN C[C@@H](NCC(=O)Nc1ccccc1SC(F)F)c1cccc([N+](=O)[O-])c1 ZINC000180400612 822675783 /nfs/dbraw/zinc/67/57/83/822675783.db2.gz XCUVFOLEQHDTOG-LLVKDONJSA-N 0 1 381.404 4.199 20 5 GIBDMN CCOc1ccc([C@@H](C)NCc2cccc(OCC(F)F)c2)cc1[N+](=O)[O-] ZINC000180527406 822696554 /nfs/dbraw/zinc/69/65/54/822696554.db2.gz HQAXFYOVSXOBEA-CYBMUJFWSA-N 0 1 380.391 4.488 20 5 GIBDMN COc1cc(CN2CCSC3(CCC3)CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000411873486 823611756 /nfs/dbraw/zinc/61/17/56/823611756.db2.gz XZKCNOHKOYYUSC-UHFFFAOYSA-N 0 1 388.436 4.066 20 5 GIBDMN CC(C)Oc1cc(C(=O)Nc2cccc3c2OCC[C@@H]3N(C)C)ccc1[N+](=O)[O-] ZINC000412303241 823644686 /nfs/dbraw/zinc/64/46/86/823644686.db2.gz LSGXYUZWOLBTPF-KRWDZBQOSA-N 0 1 399.447 4.020 20 5 GIBDMN CCn1cc([N+](=O)[O-])c(C(=O)Nc2cccc(Cl)c2SCC(F)F)n1 ZINC000191624310 823717229 /nfs/dbraw/zinc/71/72/29/823717229.db2.gz GYGDDCDVTOXBIB-UHFFFAOYSA-N 0 1 390.799 4.074 20 5 GIBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCc1cccc(C(=O)NCc2ccco2)c1 ZINC000165009935 823829933 /nfs/dbraw/zinc/82/99/33/823829933.db2.gz JGWLMNPYKZJHCN-MRXNPFEDSA-N 0 1 393.443 4.277 20 5 GIBDMN Cc1c([C@H](C)NCc2cccc(C(=O)NCc3ccco3)c2)cccc1[N+](=O)[O-] ZINC000165010350 823829944 /nfs/dbraw/zinc/82/99/44/823829944.db2.gz WEBLCHUDALZLHN-INIZCTEOSA-N 0 1 393.443 4.277 20 5 GIBDMN Cc1coc(-c2cccc(NS(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)c2)n1 ZINC000126820316 823959217 /nfs/dbraw/zinc/95/92/17/823959217.db2.gz MKUXXPYDNNJUMZ-UHFFFAOYSA-N 0 1 393.808 4.012 20 5 GIBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N(Cc1ccccc1)C1CCCCC1 ZINC000575364935 823962736 /nfs/dbraw/zinc/96/27/36/823962736.db2.gz LGKVPKAEYLWBPU-UHFFFAOYSA-N 0 1 378.432 4.446 20 5 GIBDMN CCc1[nH]nc(C(=O)N(CC)[C@@H](C)c2cccc(C(F)(F)F)c2)c1[N+](=O)[O-] ZINC000192461743 823999734 /nfs/dbraw/zinc/99/97/34/823999734.db2.gz KAFKTJHTSSCGEU-JTQLQIEISA-N 0 1 384.358 4.122 20 5 GIBDMN CCN(CC)[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccco1 ZINC000127142627 824025405 /nfs/dbraw/zinc/02/54/05/824025405.db2.gz QFLSNARWRCAKMJ-OAHLLOKOSA-N 0 1 380.832 4.046 20 5 GIBDMN O=[N+]([O-])c1cc(Cl)cnc1N1CCC[C@]2(CCN2Cc2cccc(F)c2)C1 ZINC001164995291 722192123 /nfs/dbraw/zinc/19/21/23/722192123.db2.gz UAHUKXOZEAXLDC-IBGZPJMESA-N 0 1 390.846 4.027 20 5 GIBDMN CCc1ccc([C@@H]2CCCN(C(=O)c3[nH]nc4ccc([N+](=O)[O-])cc43)C2)cc1 ZINC000570591068 823058600 /nfs/dbraw/zinc/05/86/00/823058600.db2.gz CJYUWFUZDJHUQC-MRXNPFEDSA-N 0 1 378.432 4.053 20 5 GIBDMN COc1ccc(Oc2ccc([N+](=O)[O-])cc2-c2nc([C@@H](N)CC(C)C)no2)cc1 ZINC000570718078 823075369 /nfs/dbraw/zinc/07/53/69/823075369.db2.gz OFVFMUNBNVGCMQ-KRWDZBQOSA-N 0 1 398.419 4.492 20 5 GIBDMN CC(C)(NCc1cnc2ccc(Br)cn12)c1ccc([N+](=O)[O-])cc1 ZINC000175985651 823089091 /nfs/dbraw/zinc/08/90/91/823089091.db2.gz JALWMCFTDVQECR-UHFFFAOYSA-N 0 1 389.253 4.030 20 5 GIBDMN CC(C)(C)c1nc(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)n[nH]1 ZINC000459675304 823248078 /nfs/dbraw/zinc/24/80/78/823248078.db2.gz JYUPXKDBTOTVIA-UHFFFAOYSA-N 0 1 389.843 4.214 20 5 GIBDMN COc1ccc(Cl)cc1-c1n[nH]c(SCc2ccccc2[N+](=O)[O-])n1 ZINC000006463770 817694763 /nfs/dbraw/zinc/69/47/63/817694763.db2.gz WBLKSWGRHSDQCI-UHFFFAOYSA-N 0 1 376.825 4.334 20 5 GIBDMN O=[N+]([O-])c1cccc(NS(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)c1 ZINC000016101112 818393084 /nfs/dbraw/zinc/39/30/84/818393084.db2.gz AUDPLXQIUDFUDW-UHFFFAOYSA-N 0 1 380.731 4.068 20 5 GIBDMN CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](c1ccco1)N(CC)CC ZINC000122443096 823354940 /nfs/dbraw/zinc/35/49/40/823354940.db2.gz MHPFUQCLIVOMFI-INIZCTEOSA-N 0 1 391.493 4.113 20 5 GIBDMN Cc1ccc(-c2n[nH]c(S[C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)n2)cc1 ZINC000024000786 819005540 /nfs/dbraw/zinc/00/55/40/819005540.db2.gz SPSQODPRCMHTHS-CYBMUJFWSA-N 0 1 397.460 4.116 20 5 GIBDMN C[C@@H](N[C@H]1CCSc2ccc(Cl)cc21)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000025216159 819944009 /nfs/dbraw/zinc/94/40/09/819944009.db2.gz WXECJPIXTDNESN-BZNIZROVSA-N 0 1 391.880 4.402 20 5 GIBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@H](c1ccccc1)c1ccccn1 ZINC000026230693 820072402 /nfs/dbraw/zinc/07/24/02/820072402.db2.gz JYJFWAFRJSATHC-JOCHJYFZSA-N 0 1 390.443 4.006 20 5 GIBDMN CCO[C@@H]1C[C@@H](N(C)Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1(CC)CC ZINC000177402570 823454369 /nfs/dbraw/zinc/45/43/69/823454369.db2.gz IIUAZSZSFHJIBL-IAGOWNOFSA-N 0 1 388.468 4.060 20 5 GIBDMN CN(Cc1ccccc1[N+](=O)[O-])C[C@@H](O)Cn1c2ccccc2c2ccccc21 ZINC000027208347 820209579 /nfs/dbraw/zinc/20/95/79/820209579.db2.gz WPSMLCBADVXXFV-GOSISDBHSA-N 0 1 389.455 4.196 20 5 GIBDMN Cc1ccc(-c2n[nH]c(NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)n2)cc1 ZINC000028855350 820364407 /nfs/dbraw/zinc/36/44/07/820364407.db2.gz BKADUCHBYGNHCW-UHFFFAOYSA-N 0 1 379.401 4.155 20 5 GIBDMN CN(C)[C@@H](CNC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)c1cccc(F)c1 ZINC000032730553 820998773 /nfs/dbraw/zinc/99/87/73/820998773.db2.gz QKPKJIGQMGBKGJ-IBGZPJMESA-N 0 1 387.455 4.064 20 5 GIBDMN C[C@H](CCc1ccccc1[N+](=O)[O-])N[C@H](C)c1nc(-c2cccc(F)c2)no1 ZINC000190039981 823529733 /nfs/dbraw/zinc/52/97/33/823529733.db2.gz XMNBHTZEVKCSGL-ZIAGYGMSSA-N 0 1 384.411 4.456 20 5 GIBDMN O=C(NC[C@H](c1ccco1)N1CCCCC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000043343104 821395427 /nfs/dbraw/zinc/39/54/27/821395427.db2.gz FDAJFOGQTHCYQX-MRXNPFEDSA-N 0 1 392.843 4.190 20 5 GIBDMN C[C@@H](N[C@@H](C)c1ccc(-c2ccncc2)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000180908224 821529351 /nfs/dbraw/zinc/52/93/51/821529351.db2.gz HJRYOQAKBPQQNM-JKSUJKDBSA-N 0 1 390.443 4.335 20 5 GIBDMN Cc1c(NC(=O)[C@H](C)N[C@H](C)c2ccc(OC(F)F)cc2)cccc1[N+](=O)[O-] ZINC000044803363 821665223 /nfs/dbraw/zinc/66/52/23/821665223.db2.gz PTPMDKADFLPVKF-OLZOCXBDSA-N 0 1 393.390 4.182 20 5 GIBDMN Cc1c(NC(=O)[C@H](C)N[C@@H](C)c2ccc(OC(F)F)cc2)cccc1[N+](=O)[O-] ZINC000044803357 821665284 /nfs/dbraw/zinc/66/52/84/821665284.db2.gz PTPMDKADFLPVKF-STQMWFEESA-N 0 1 393.390 4.182 20 5 GIBDMN CC(C)[C@@H](NCc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000181502577 821856618 /nfs/dbraw/zinc/85/66/18/821856618.db2.gz SPNGUIHGSAFHHL-QGZVFWFLSA-N 0 1 395.381 4.199 20 5 GIBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@@H](C)c1c(F)cccc1Cl ZINC000181763431 821981781 /nfs/dbraw/zinc/98/17/81/821981781.db2.gz CKRWZBKZEVIHHZ-NSHDSACASA-N 0 1 395.818 4.075 20 5 GIBDMN COc1cc(CN(C)Cc2cccnc2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000182029458 822067405 /nfs/dbraw/zinc/06/74/05/822067405.db2.gz KQCGFQDWDYBMEO-UHFFFAOYSA-N 0 1 393.443 4.209 20 5 GIBDMN O=C(N[C@H](c1ccccc1)c1cc(Cl)ccc1Cl)c1n[nH]cc1[N+](=O)[O-] ZINC000182179585 822135226 /nfs/dbraw/zinc/13/52/26/822135226.db2.gz KSJCWWHYRVWILV-OAHLLOKOSA-N 0 1 391.214 4.144 20 5 GIBDMN Cc1c(NC(=O)[C@H](C)N[C@@H](C)c2cccc(OC(F)F)c2)cccc1[N+](=O)[O-] ZINC000179589280 822507991 /nfs/dbraw/zinc/50/79/91/822507991.db2.gz FQBXLPXZZCQCKD-STQMWFEESA-N 0 1 393.390 4.182 20 5 GIBDMN CCC[C@@H](NCc1ccc(S(=O)(=O)CC)cc1)c1cccc([N+](=O)[O-])c1 ZINC000179941216 822581746 /nfs/dbraw/zinc/58/17/46/822581746.db2.gz BJCDGXUSUKWWOK-LJQANCHMSA-N 0 1 376.478 4.019 20 5 GIBDMN Cc1ccsc1[C@@H](Cc1ccccc1)NCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000184957852 822718376 /nfs/dbraw/zinc/71/83/76/822718376.db2.gz MFXXORYBDMBLTK-GOSISDBHSA-N 0 1 395.484 4.137 20 5 GIBDMN CCOc1cccc2cc([C@H](C)N[C@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])oc21 ZINC000052712391 822808234 /nfs/dbraw/zinc/80/82/34/822808234.db2.gz BQXLLUOUKDEZGM-UONOGXRCSA-N 0 1 397.431 4.418 20 5 GIBDMN CC[C@H](NCCOc1cccc([N+](=O)[O-])c1)c1nc(C(F)(F)F)cs1 ZINC000185960890 822837886 /nfs/dbraw/zinc/83/78/86/822837886.db2.gz SXLBLZYQGXFEKJ-LBPRGKRZSA-N 0 1 375.372 4.190 20 5 GIBDMN O=C(Nc1cc(Cl)cc(Br)c1O)c1csc([N+](=O)[O-])c1 ZINC000174923521 822856597 /nfs/dbraw/zinc/85/65/97/822856597.db2.gz NBBLIJNXBNVJLG-UHFFFAOYSA-N 0 1 377.603 4.030 20 5 GIBDMN COc1cc(CNC[C@@H](c2ccccc2)C(F)(F)F)c([N+](=O)[O-])cc1OC ZINC000186438447 822895715 /nfs/dbraw/zinc/89/57/15/822895715.db2.gz KAPPBNJHFCIIHO-AWEZNQCLSA-N 0 1 384.354 4.048 20 5 GIBDMN Cc1nc(SCc2cc([N+](=O)[O-])cc3c2OCOC3)[nH]c1-c1ccccc1 ZINC000187126056 823014503 /nfs/dbraw/zinc/01/45/03/823014503.db2.gz VBILGTHQUMKZOW-UHFFFAOYSA-N 0 1 383.429 4.452 20 5 GIBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nc(C)c(-c2ccccc2)[nH]1 ZINC000187129816 823015183 /nfs/dbraw/zinc/01/51/83/823015183.db2.gz ZFYVOWVGCIFCMO-UHFFFAOYSA-N 0 1 398.444 4.033 20 5 GIBDMN Cc1cccc2nc(CCC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C(C)C)[nH]c21 ZINC000175784796 823039563 /nfs/dbraw/zinc/03/95/63/823039563.db2.gz RFEHRKVQVOPOMG-UHFFFAOYSA-N 0 1 380.448 4.149 20 5 GIBDMN Cc1ccc2nc([C@@H]3CCCN3C(=O)[C@H](C)c3cccc([N+](=O)[O-])c3)[nH]c2c1 ZINC000570464553 823041161 /nfs/dbraw/zinc/04/11/61/823041161.db2.gz PQGMXMNZKSOULK-KUHUBIRLSA-N 0 1 378.432 4.247 20 5 GIBDMN C[C@@H](N[C@@H]1C[C@H](OC(C)(C)C)C1(C)C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000412062187 823625359 /nfs/dbraw/zinc/62/53/59/823625359.db2.gz BSHNUGZCLSQBEB-WQVCFCJDSA-N 0 1 388.468 4.278 20 5 GIBDMN C[C@@H](N[C@H](C)c1ccccc1C(F)(F)F)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000062238415 823625688 /nfs/dbraw/zinc/62/56/88/823625688.db2.gz QAYZOEBXPUQCJR-VXGBXAGGSA-N 0 1 381.354 4.291 20 5 GIBDMN CC[C@H](NCc1cccc(C(=O)NCc2ccco2)c1)c1cccc([N+](=O)[O-])c1 ZINC000165015850 823830322 /nfs/dbraw/zinc/83/03/22/823830322.db2.gz QCRRTDHJGWILQV-NRFANRHFSA-N 0 1 393.443 4.359 20 5 GIBDMN C[C@@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccccc1Br ZINC000056196189 823100707 /nfs/dbraw/zinc/10/07/07/823100707.db2.gz LDTJVAFADGOVOL-NWDGAFQWSA-N 0 1 392.253 4.035 20 5 GIBDMN Cc1ccc2nc([C@H]3CCCN3C(=O)N[C@@H](C)c3ccc([N+](=O)[O-])cc3)[nH]c2c1 ZINC000458885262 823101751 /nfs/dbraw/zinc/10/17/51/823101751.db2.gz FXDGAOZCSDPCIY-IFXJQAMLSA-N 0 1 393.447 4.387 20 5 GIBDMN CCOc1cc(CN[C@H]2CCc3c2cccc3[N+](=O)[O-])ccc1OC(F)F ZINC000570985792 823115961 /nfs/dbraw/zinc/11/59/61/823115961.db2.gz OIDXADUKWFHVHZ-HNNXBMFYSA-N 0 1 378.375 4.372 20 5 GIBDMN Cc1cc(N(C)CC(=O)N(C)[C@@H](C)c2ccccc2)c2cc([N+](=O)[O-])ccc2n1 ZINC000409528405 823242302 /nfs/dbraw/zinc/24/23/02/823242302.db2.gz PGXGSBXXCMCPEY-INIZCTEOSA-N 0 1 392.459 4.107 20 5 GIBDMN O=[N+]([O-])c1ccccc1-c1ccc(CN(CCCO)Cc2ccccn2)s1 ZINC000571840896 823243395 /nfs/dbraw/zinc/24/33/95/823243395.db2.gz ALMWAPDOFITHDF-UHFFFAOYSA-N 0 1 383.473 4.103 20 5 GIBDMN C[C@@H](Sc1nc(C=Cc2ccccc2)n[nH]1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000012834964 818185997 /nfs/dbraw/zinc/18/59/97/818185997.db2.gz CFPQVQSFWQGHFT-XZHRJIJLSA-N 0 1 395.444 4.003 20 5 GIBDMN C[C@@H](Sc1nc(C=Cc2ccccc2)n[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000012834956 818186216 /nfs/dbraw/zinc/18/62/16/818186216.db2.gz GLLKTWFIZUUWKD-BWODNOAJSA-N 0 1 395.444 4.003 20 5 GIBDMN CCN(CC)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1Cl ZINC000016468678 818445649 /nfs/dbraw/zinc/44/56/49/818445649.db2.gz OFHYODAZKYVABY-SFHVURJKSA-N 0 1 375.856 4.061 20 5 GIBDMN Cc1c(C(=O)NC[C@@H](c2cccs2)N2CCC(C)CC2)cccc1[N+](=O)[O-] ZINC000018186132 818555301 /nfs/dbraw/zinc/55/53/01/818555301.db2.gz MEHOLNSYUFHWRP-SFHVURJKSA-N 0 1 387.505 4.168 20 5 GIBDMN C[C@H](N[C@H]1CCSc2ccc(Cl)cc21)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000025216210 819944086 /nfs/dbraw/zinc/94/40/86/819944086.db2.gz XWJOAJLMFLFZQE-FZMZJTMJSA-N 0 1 391.880 4.402 20 5 GIBDMN C[C@H](N[C@@H]1CCSc2ccc(Cl)cc21)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000025216153 819944159 /nfs/dbraw/zinc/94/41/59/819944159.db2.gz WXECJPIXTDNESN-MEDUHNTESA-N 0 1 391.880 4.402 20 5 GIBDMN O=C(CCSc1nc2ccc(Cl)cc2[nH]1)Nc1ccccc1[N+](=O)[O-] ZINC000026251233 820074771 /nfs/dbraw/zinc/07/47/71/820074771.db2.gz NPTGTHPAZFJWHE-UHFFFAOYSA-N 0 1 376.825 4.245 20 5 GIBDMN COc1ccc(Cl)cc1CN(C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000027739529 820281440 /nfs/dbraw/zinc/28/14/40/820281440.db2.gz RNIPNJJSQVYCRA-UHFFFAOYSA-N 0 1 391.855 4.026 20 5 GIBDMN CCOc1cc(NC(=O)c2cc(-c3ccccc3)no2)c([N+](=O)[O-])cc1OCC ZINC000123276725 823489403 /nfs/dbraw/zinc/48/94/03/823489403.db2.gz HRBVJUFJOSLAKE-UHFFFAOYSA-N 0 1 397.387 4.300 20 5 GIBDMN CCN(CC)[C@@H](CNC(=O)c1cccc(C)c1[N+](=O)[O-])c1ccccc1Cl ZINC000032317625 820913887 /nfs/dbraw/zinc/91/38/87/820913887.db2.gz ASCUXTLRGJDVAW-SFHVURJKSA-N 0 1 389.883 4.370 20 5 GIBDMN CCn1c2ccccc2nc1[C@@H](C)N[C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000180993186 821580503 /nfs/dbraw/zinc/58/05/03/821580503.db2.gz FQPWJMJVLHJAQL-LSDHHAIUSA-N 0 1 395.463 4.032 20 5 GIBDMN Cc1ccc([C@@H](C)NCC(=O)N[C@H](C)c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000181826510 822008123 /nfs/dbraw/zinc/00/81/23/822008123.db2.gz GEYURIKCZWSMMA-ZIAGYGMSSA-N 0 1 375.856 4.085 20 5 GIBDMN CC[C@H]1c2ccsc2CCN1C(=O)CN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000181835575 822012336 /nfs/dbraw/zinc/01/23/36/822012336.db2.gz JSIFFFPCBLRHQZ-PBHICJAKSA-N 0 1 387.505 4.151 20 5 GIBDMN NC(=O)c1ccc(CN[C@@H](c2ccc(Cl)cc2)C2CCCC2)c([N+](=O)[O-])c1 ZINC000182536697 822289101 /nfs/dbraw/zinc/28/91/01/822289101.db2.gz FTGIJOBNXHGDFI-LJQANCHMSA-N 0 1 387.867 4.368 20 5 GIBDMN COc1cc(CN[C@H](C)c2ccc([N+](=O)[O-])cc2)cc(Br)c1OC ZINC000178652247 822399696 /nfs/dbraw/zinc/39/96/96/822399696.db2.gz NTFGCFXNTQLPAC-LLVKDONJSA-N 0 1 395.253 4.225 20 5 GIBDMN O=C(Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000179268365 822459396 /nfs/dbraw/zinc/45/93/96/822459396.db2.gz AGFSWKOHCFUUTG-MRXNPFEDSA-N 0 1 386.795 4.228 20 5 GIBDMN O=C(c1cc2ccccc2c2cccnc12)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179365383 822471994 /nfs/dbraw/zinc/47/19/94/822471994.db2.gz CBZAVNVYFUWWIE-QGZVFWFLSA-N 0 1 397.482 4.403 20 5 GIBDMN Cc1c([C@H](C)N[C@@H](CC(C)C)C(=O)Nc2nccs2)cccc1[N+](=O)[O-] ZINC000179599798 822510190 /nfs/dbraw/zinc/51/01/90/822510190.db2.gz AKMNIEOXZFCJJS-ZFWWWQNUSA-N 0 1 376.482 4.064 20 5 GIBDMN O=[N+]([O-])c1cccc(-c2ccc(CN3CCCN(c4nccs4)CC3)o2)c1 ZINC000179609091 822512133 /nfs/dbraw/zinc/51/21/33/822512133.db2.gz SDMUXRSUKNFPFJ-UHFFFAOYSA-N 0 1 384.461 4.024 20 5 GIBDMN CC(C)C[C@@H](NCc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000179717121 822534064 /nfs/dbraw/zinc/53/40/64/822534064.db2.gz QQIBGAIVDQMSKN-QGZVFWFLSA-N 0 1 375.856 4.224 20 5 GIBDMN CC[C@H](NCC(=O)Nc1cc([N+](=O)[O-])ccc1C)c1ccccc1OC(F)F ZINC000179718808 822534602 /nfs/dbraw/zinc/53/46/02/822534602.db2.gz GNHUEZIZYBXENI-HNNXBMFYSA-N 0 1 393.390 4.184 20 5 GIBDMN COc1ccc2oc([C@@H](C)NCC(=O)Nc3ccc([N+](=O)[O-])cc3C)c(C)c2c1 ZINC000184324871 822615330 /nfs/dbraw/zinc/61/53/30/822615330.db2.gz VLQQUROIAKKGTQ-CQSZACIVSA-N 0 1 397.431 4.256 20 5 GIBDMN COc1ccc2oc([C@H](C)N[C@@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])c(C)c2c1 ZINC000184325012 822615529 /nfs/dbraw/zinc/61/55/29/822615529.db2.gz YHLUBIKFNQGLDN-KBPBESRZSA-N 0 1 397.431 4.336 20 5 GIBDMN O=C(CN1CCCCCC1)Nc1ccc(NCc2csc([N+](=O)[O-])c2)cc1 ZINC000174291643 822764345 /nfs/dbraw/zinc/76/43/45/822764345.db2.gz AHRHAOJNKLHVHB-UHFFFAOYSA-N 0 1 388.493 4.083 20 5 GIBDMN CC(C)c1nnc(-c2ccccc2NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)[nH]1 ZINC000185429023 822782805 /nfs/dbraw/zinc/78/28/05/822782805.db2.gz GBEDMGJQNNBJMP-GFCCVEGCSA-N 0 1 397.410 4.385 20 5 GIBDMN CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CCc2[nH]c(C(C)C)nc2C1 ZINC000456160302 822785307 /nfs/dbraw/zinc/78/53/07/822785307.db2.gz HNKNUSWLERYOAM-ZDUSSCGKSA-N 0 1 385.468 4.005 20 5 GIBDMN Cc1cccc2nc(CCC(=O)Nc3cc([N+](=O)[O-])ccc3NC(C)C)[nH]c21 ZINC000456199332 822787832 /nfs/dbraw/zinc/78/78/32/822787832.db2.gz ZKZKCNOSSRKEJE-UHFFFAOYSA-N 0 1 381.436 4.171 20 5 GIBDMN CC(=O)c1ccc(NCc2ccccc2CN2C[C@@H](C)O[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000052314560 822795919 /nfs/dbraw/zinc/79/59/19/822795919.db2.gz DSLKAAIHXSUNSI-IYBDPMFKSA-N 0 1 397.475 4.019 20 5 GIBDMN CCOc1cccc2cc([C@@H](C)N[C@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])oc21 ZINC000052712390 822808225 /nfs/dbraw/zinc/80/82/25/822808225.db2.gz BQXLLUOUKDEZGM-ZIAGYGMSSA-N 0 1 397.431 4.418 20 5 GIBDMN COc1ccc(CN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@H](C)C2CC2)cc1 ZINC000053097831 822821682 /nfs/dbraw/zinc/82/16/82/822821682.db2.gz KROQAMRGKQNLHL-OAHLLOKOSA-N 0 1 398.459 4.271 20 5 GIBDMN O=[N+]([O-])c1ccccc1CNC1(c2ccc(Br)cc2)CCOCC1 ZINC000054394284 822881829 /nfs/dbraw/zinc/88/18/29/822881829.db2.gz WGNVABPBSAXGIT-UHFFFAOYSA-N 0 1 391.265 4.153 20 5 GIBDMN CCOc1cc(-c2noc(-c3ccc(NC)c([N+](=O)[O-])c3)n2)cc(Cl)c1O ZINC000569191960 822890872 /nfs/dbraw/zinc/89/08/72/822890872.db2.gz XPAARNAZRKCOJZ-UHFFFAOYSA-N 0 1 390.783 4.111 20 5 GIBDMN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC(c2ccc(O)cc2)CC1 ZINC000055103075 822938565 /nfs/dbraw/zinc/93/85/65/822938565.db2.gz DDBZJZKDEBVGTF-CQSZACIVSA-N 0 1 394.431 4.291 20 5 GIBDMN Cc1nc(SCC(=O)N(C)c2ccc([N+](=O)[O-])cc2)[nH]c1-c1ccccc1 ZINC000187125279 823014318 /nfs/dbraw/zinc/01/43/18/823014318.db2.gz ZSJJLSXMKDAROX-UHFFFAOYSA-N 0 1 382.445 4.048 20 5 GIBDMN Cc1nc(S[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])[nH]c1-c1ccccc1 ZINC000187156259 823018495 /nfs/dbraw/zinc/01/84/95/823018495.db2.gz AGDPEGPMXSQYEM-ZDUSSCGKSA-N 0 1 382.445 4.413 20 5 GIBDMN COc1c(Br)cccc1CNC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000187285243 823036980 /nfs/dbraw/zinc/03/69/80/823036980.db2.gz ZNDOCDRYHWFRCC-UHFFFAOYSA-N 0 1 379.254 4.391 20 5 GIBDMN C[C@H](c1nc2ccccc2s1)N(C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411318264 823564310 /nfs/dbraw/zinc/56/43/10/823564310.db2.gz CAWGMMQWBXLWIZ-CYBMUJFWSA-N 0 1 384.461 4.226 20 5 GIBDMN COc1ccc(CN[C@@H](C)c2ccc(Br)cc2OC)cc1[N+](=O)[O-] ZINC000190446624 823575320 /nfs/dbraw/zinc/57/53/20/823575320.db2.gz FLYLRUGEHDISRX-NSHDSACASA-N 0 1 395.253 4.225 20 5 GIBDMN O=C(CCN[C@H](CC(F)(F)F)c1ccc(F)cc1)Nc1ccccc1[N+](=O)[O-] ZINC000411456610 823576823 /nfs/dbraw/zinc/57/68/23/823576823.db2.gz MODIXJKCCWBEBE-OAHLLOKOSA-N 0 1 399.344 4.346 20 5 GIBDMN Cc1ccc(NC(=O)N2CCC[C@@H]2c2n[nH]c(-c3ccccc3)n2)cc1[N+](=O)[O-] ZINC000125002484 823643950 /nfs/dbraw/zinc/64/39/50/823643950.db2.gz PZCHLEFTCYRAFI-MRXNPFEDSA-N 0 1 392.419 4.057 20 5 GIBDMN Cc1ccc(NC(=O)N2CCC[C@@H]2c2nc(-c3ccccc3)n[nH]2)cc1[N+](=O)[O-] ZINC000125002484 823643952 /nfs/dbraw/zinc/64/39/52/823643952.db2.gz PZCHLEFTCYRAFI-MRXNPFEDSA-N 0 1 392.419 4.057 20 5 GIBDMN Cc1ccc(CN[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(-n2cc(Cl)cn2)n1 ZINC000191528238 823695704 /nfs/dbraw/zinc/69/57/04/823695704.db2.gz FNEOKIJUHKLTEF-CQSZACIVSA-N 0 1 385.855 4.297 20 5 GIBDMN CCOC(=O)c1csc(C2CCN([C@H](C)c3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000191567225 823701043 /nfs/dbraw/zinc/70/10/43/823701043.db2.gz CEJMNNLKZFYYPV-CYBMUJFWSA-N 0 1 389.477 4.169 20 5 GIBDMN C[C@@H](c1ccncc1)N1CCC(Nc2ncc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000413208830 823728114 /nfs/dbraw/zinc/72/81/14/823728114.db2.gz SLYQKYRPQTWDTJ-LBPRGKRZSA-N 0 1 395.385 4.041 20 5 GIBDMN Cc1cc(N2CCC[C@@](CO)(Cc3ccccc3)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000461884748 823738187 /nfs/dbraw/zinc/73/81/87/823738187.db2.gz DHMDWKPPHWRTOR-HSZRJFAPSA-N 0 1 391.471 4.273 20 5 GIBDMN O=[N+]([O-])c1ccc(N2CCC[C@@H](c3ncc(C(F)(F)F)[nH]3)C2)c2cccnc21 ZINC000413258075 823739722 /nfs/dbraw/zinc/73/97/22/823739722.db2.gz DMBUNPAUVWNUFK-LLVKDONJSA-N 0 1 391.353 4.269 20 5 GIBDMN Cc1ccc2nc([C@H]3CCCN(C(=O)[C@H](C)c4cccc([N+](=O)[O-])c4)C3)[nH]c2c1 ZINC000574825579 823835245 /nfs/dbraw/zinc/83/52/45/823835245.db2.gz UJJBUFOODCSZLR-WBVHZDCISA-N 0 1 392.459 4.289 20 5 GIBDMN COc1ccc([N+](=O)[O-])cc1CN[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000192107631 823862877 /nfs/dbraw/zinc/86/28/77/823862877.db2.gz KHEDBMQKIRUHKY-AEFFLSMTSA-N 0 1 380.803 4.016 20 5 GIBDMN CN1CCN(c2ccc(NC(=O)c3cc4ccccc4c4cccnc34)cc2)CC1 ZINC000192503291 824013222 /nfs/dbraw/zinc/01/32/22/824013222.db2.gz BZRYELZPVPMFKJ-UHFFFAOYSA-N 0 1 396.494 4.392 20 5 GIBDMN C[C@@H]1CN(c2cc(Oc3ccnc(Cl)c3)c(F)cc2[N+](=O)[O-])[C@H](C)CN1C ZINC001164635687 719199258 /nfs/dbraw/zinc/19/92/58/719199258.db2.gz LGSFFJSQGVOCPF-VXGBXAGGSA-N 0 1 394.834 4.103 20 5 GIBDMN COc1cc(CNC(C)(C)c2ccc([N+](=O)[O-])cc2)c(SC)cc1OC ZINC000175984298 823088776 /nfs/dbraw/zinc/08/87/76/823088776.db2.gz SIQPTPTYMLKZQP-UHFFFAOYSA-N 0 1 376.478 4.359 20 5 GIBDMN Cc1c(NC(=O)[C@@H](C)N[C@@H](C)c2ccc(OC(C)C)cc2)cccc1[N+](=O)[O-] ZINC000056163516 823093800 /nfs/dbraw/zinc/09/38/00/823093800.db2.gz QMIFOMPIZOURMZ-JKSUJKDBSA-N 0 1 385.464 4.368 20 5 GIBDMN C[C@@H](N[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000120984910 823097584 /nfs/dbraw/zinc/09/75/84/823097584.db2.gz KGRHPTQZOSWBTB-NEPJUHHUSA-N 0 1 381.354 4.291 20 5 GIBDMN C[C@H]1C[C@H](c2ccc(F)cc2)CN1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000121419215 823181303 /nfs/dbraw/zinc/18/13/03/823181303.db2.gz YKEWEXJOTLRDMD-BBRMVZONSA-N 0 1 382.395 4.162 20 5 GIBDMN CSc1cccc(C(=O)Nc2cc(C)cc(Br)c2O)c1[N+](=O)[O-] ZINC000188302912 823216746 /nfs/dbraw/zinc/21/67/46/823216746.db2.gz QLMYRRKNAJPHAH-UHFFFAOYSA-N 0 1 397.250 4.346 20 5 GIBDMN C[C@H](Sc1nc2ccc(Cl)cc2[nH]1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000004406846 817524819 /nfs/dbraw/zinc/52/48/19/817524819.db2.gz BXYJWDJPPWTXCA-VIFPVBQESA-N 0 1 376.825 4.244 20 5 GIBDMN Cc1[nH]c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)nc1Cc1ccccc1 ZINC000005312369 817572971 /nfs/dbraw/zinc/57/29/71/817572971.db2.gz GGOLIMFYYZKJFC-UHFFFAOYSA-N 0 1 396.472 4.256 20 5 GIBDMN C[C@H](Sc1nc2ccc(Cl)cc2[nH]1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000006506283 817698581 /nfs/dbraw/zinc/69/85/81/817698581.db2.gz SDKARFAKYXOISB-VIFPVBQESA-N 0 1 376.825 4.244 20 5 GIBDMN COc1ccc(C)cc1[C@H](C)N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000015499713 818330762 /nfs/dbraw/zinc/33/07/62/818330762.db2.gz DHSYQDXQWLXUSP-STQMWFEESA-N 0 1 391.855 4.243 20 5 GIBDMN C[C@H](NC(c1ccccc1)c1ccccc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000016483781 818448361 /nfs/dbraw/zinc/44/83/61/818448361.db2.gz KBYDWTQFDLAXJJ-INIZCTEOSA-N 0 1 375.428 4.301 20 5 GIBDMN Cc1cc(S(=O)(=O)Nc2ccccc2CCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000176966611 823337078 /nfs/dbraw/zinc/33/70/78/823337078.db2.gz BFBOOJVAEBFGPD-UHFFFAOYSA-N 0 1 388.367 4.199 20 5 GIBDMN CCOc1cccc(CN[C@H]2CCc3c2cccc3[N+](=O)[O-])c1OC(F)F ZINC000572616983 823369645 /nfs/dbraw/zinc/36/96/45/823369645.db2.gz MTJQFLPRBBIVOM-HNNXBMFYSA-N 0 1 378.375 4.372 20 5 GIBDMN Cc1cc(F)cc(C(=O)Nc2ccc3nc(-c4ccccn4)[nH]c3c2)c1[N+](=O)[O-] ZINC000177123460 823376671 /nfs/dbraw/zinc/37/66/71/823376671.db2.gz FEKZQRBSFAZVPT-UHFFFAOYSA-N 0 1 391.362 4.233 20 5 GIBDMN Cc1cccc(C(=O)NC[C@@H](c2cccs2)N2CCC(C)CC2)c1[N+](=O)[O-] ZINC000027573001 820261255 /nfs/dbraw/zinc/26/12/55/820261255.db2.gz GHGZIWAPQZXUBO-KRWDZBQOSA-N 0 1 387.505 4.168 20 5 GIBDMN COc1ccccc1NC(=O)C1CCN([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000029907461 820545425 /nfs/dbraw/zinc/54/54/25/820545425.db2.gz DRJVVFVAEHYAJG-HNNXBMFYSA-N 0 1 383.448 4.015 20 5 GIBDMN CC(=O)c1ccc(NCc2ccc(CN3C[C@@H](C)O[C@@H](C)C3)cc2)c([N+](=O)[O-])c1 ZINC000030001671 820566121 /nfs/dbraw/zinc/56/61/21/820566121.db2.gz UHDIMEVMIQUQJT-IYBDPMFKSA-N 0 1 397.475 4.019 20 5 GIBDMN CCN(CC)[C@@H](CNC(=O)c1ccccc1[N+](=O)[O-])c1ccccc1Cl ZINC000032317089 820914045 /nfs/dbraw/zinc/91/40/45/820914045.db2.gz OUSOJGVTJXVWOM-SFHVURJKSA-N 0 1 375.856 4.061 20 5 GIBDMN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc2oc(C(C)(C)C)nc2c1 ZINC000032595218 820975301 /nfs/dbraw/zinc/97/53/01/820975301.db2.gz VDJGFXZLYOZKNR-UHFFFAOYSA-N 0 1 389.433 4.143 20 5 GIBDMN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](c1cccs1)N(C)C ZINC000180716040 821414157 /nfs/dbraw/zinc/41/41/57/821414157.db2.gz JSQDKSKQPPLSFW-OAHLLOKOSA-N 0 1 393.534 4.190 20 5 GIBDMN C[C@H](N[C@@H](C)c1ccc(-c2ccncc2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000180892138 821518568 /nfs/dbraw/zinc/51/85/68/821518568.db2.gz YWPNPGQAHYZZFO-HOTGVXAUSA-N 0 1 390.443 4.335 20 5 GIBDMN Cc1ccc([C@@H](C)NCC(=O)N[C@@H](C)c2ccccc2Cl)cc1[N+](=O)[O-] ZINC000181839774 822013642 /nfs/dbraw/zinc/01/36/42/822013642.db2.gz LDQYVXWLMWBSBG-KGLIPLIRSA-N 0 1 375.856 4.085 20 5 GIBDMN CCSc1ccc([C@@H](C)NCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc1 ZINC000182137185 822112027 /nfs/dbraw/zinc/11/20/27/822112027.db2.gz KVYRGBVHSNVIHM-CYBMUJFWSA-N 0 1 389.477 4.005 20 5 GIBDMN Cc1ccc(C(=O)NC2CCN([C@@H](C)c3cc([N+](=O)[O-])ccc3C)CC2)s1 ZINC000182864846 822381609 /nfs/dbraw/zinc/38/16/09/822381609.db2.gz GROPDSKCCGUZIU-HNNXBMFYSA-N 0 1 387.505 4.229 20 5 GIBDMN Cc1[nH]c2ccccc2c1C1=CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000178870570 822417859 /nfs/dbraw/zinc/41/78/59/822417859.db2.gz YQJRDBSUGRSUAC-OAQYLSRUSA-N 0 1 377.444 4.207 20 5 GIBDMN Cc1ccc2nc([C@H]3CCCN3C(=O)[C@H](C)c3ccc([N+](=O)[O-])cc3F)[nH]c2c1 ZINC000183419846 822471732 /nfs/dbraw/zinc/47/17/32/822471732.db2.gz WKVJGXLLENCRDP-BFUOFWGJSA-N 0 1 396.422 4.386 20 5 GIBDMN C[C@@H](NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])c1cccc(OC(F)F)c1 ZINC000179594656 822509188 /nfs/dbraw/zinc/50/91/88/822509188.db2.gz OGVOJKRMKSQNEP-SNVBAGLBSA-N 0 1 399.781 4.139 20 5 GIBDMN Cc1ccc([C@@H](C)N[C@H](CC(C)C)C(=O)Nc2nccs2)cc1[N+](=O)[O-] ZINC000179599582 822510308 /nfs/dbraw/zinc/51/03/08/822510308.db2.gz PAVBSYRIOXCZCI-UKRRQHHQSA-N 0 1 376.482 4.064 20 5 GIBDMN Cc1ccc([C@@H](C)N[C@@H](CC(C)C)C(=O)Nc2nccs2)cc1[N+](=O)[O-] ZINC000179599551 822510312 /nfs/dbraw/zinc/51/03/12/822510312.db2.gz PAVBSYRIOXCZCI-HIFRSBDPSA-N 0 1 376.482 4.064 20 5 GIBDMN CC[C@@H](NCC(=O)Nc1cc([N+](=O)[O-])ccc1C)c1ccccc1OC(F)F ZINC000179718822 822534498 /nfs/dbraw/zinc/53/44/98/822534498.db2.gz GNHUEZIZYBXENI-OAHLLOKOSA-N 0 1 393.390 4.184 20 5 GIBDMN CC[C@@H](N[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])c1ccccc1OC(F)F ZINC000179723488 822535361 /nfs/dbraw/zinc/53/53/61/822535361.db2.gz RCZNQNCQWOSOKJ-TZMCWYRMSA-N 0 1 393.390 4.264 20 5 GIBDMN CCOc1ccccc1CN(C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000180038972 822602468 /nfs/dbraw/zinc/60/24/68/822602468.db2.gz MZLLKRLXTLHAOO-UHFFFAOYSA-N 0 1 380.448 4.026 20 5 GIBDMN O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccccc1-c1nc(-c2ccccc2)n[nH]1 ZINC000047917789 822619447 /nfs/dbraw/zinc/61/94/47/822619447.db2.gz GDORLYGDTCQIGB-UHFFFAOYSA-N 0 1 399.410 4.228 20 5 GIBDMN Cc1c(NC(=O)CCN[C@@H](C)c2nc(C(C)(C)C)cs2)cccc1[N+](=O)[O-] ZINC000184461632 822639659 /nfs/dbraw/zinc/63/96/59/822639659.db2.gz SLDDWZRXBZKPQB-ZDUSSCGKSA-N 0 1 390.509 4.337 20 5 GIBDMN C[C@@H](NCC(=O)N(C)[C@@H](C)c1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC000180423023 822679088 /nfs/dbraw/zinc/67/90/88/822679088.db2.gz ZCASJQQWVULZFN-KGLIPLIRSA-N 0 1 375.856 4.118 20 5 GIBDMN CC(=O)N1CC[C@@H](NCc2ccc(C(C)C)c([N+](=O)[O-])c2)c2ccc(F)cc2C1 ZINC000185356983 822770668 /nfs/dbraw/zinc/77/06/68/822770668.db2.gz JDWMXBPHCMEWHH-OAQYLSRUSA-N 0 1 399.466 4.440 20 5 GIBDMN Cc1ccc(CNC(=O)C2CCN([C@H](C)c3cccc([N+](=O)[O-])c3)CC2)cc1F ZINC000052823973 822812339 /nfs/dbraw/zinc/81/23/39/822812339.db2.gz IBDYVJZHSAXTPK-MRXNPFEDSA-N 0 1 399.466 4.132 20 5 GIBDMN COc1ccc(CN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@@H](C)C2CC2)cc1 ZINC000053097829 822821630 /nfs/dbraw/zinc/82/16/30/822821630.db2.gz KROQAMRGKQNLHL-HNNXBMFYSA-N 0 1 398.459 4.271 20 5 GIBDMN CSc1cccc(C(=O)Nc2ccc3nc([C@H]4CCCO4)[nH]c3c2)c1[N+](=O)[O-] ZINC000186284401 822870376 /nfs/dbraw/zinc/87/03/76/822870376.db2.gz ZJBCIJRLBWZYAT-OAHLLOKOSA-N 0 1 398.444 4.297 20 5 GIBDMN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000457366816 822870787 /nfs/dbraw/zinc/87/07/87/822870787.db2.gz NWXOWWAYUAMAOX-QGZVFWFLSA-N 0 1 399.838 4.195 20 5 GIBDMN COc1ccc(NC(=O)CSc2nc(C)c(-c3ccccc3)[nH]2)c([N+](=O)[O-])c1 ZINC000187156935 823018767 /nfs/dbraw/zinc/01/87/67/823018767.db2.gz NSFJOKCRCYOOTF-UHFFFAOYSA-N 0 1 398.444 4.033 20 5 GIBDMN CC(C)(C)OC(=O)CC[C@H]1CCCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000412061472 823625121 /nfs/dbraw/zinc/62/51/21/823625121.db2.gz HROYBEPGCHRYAN-CQSZACIVSA-N 0 1 389.452 4.070 20 5 GIBDMN CC(C)Oc1cc(C(=O)Nc2cccc3c2OCC[C@H]3N(C)C)ccc1[N+](=O)[O-] ZINC000412303242 823644699 /nfs/dbraw/zinc/64/46/99/823644699.db2.gz LSGXYUZWOLBTPF-QGZVFWFLSA-N 0 1 399.447 4.020 20 5 GIBDMN CC1(C)C[C@H](N[C@H]2c3sccc3OC(C)(C)[C@@H]2O)c2cc([N+](=O)[O-])ccc21 ZINC000414165860 823921850 /nfs/dbraw/zinc/92/18/50/823921850.db2.gz CXASLNGLSKIDAM-QILLFSRXSA-N 0 1 388.489 4.242 20 5 GIBDMN CCn1ccnc1NCc1ccc(OC)c(OCc2ccc([N+](=O)[O-])cc2)c1 ZINC000414310069 823955031 /nfs/dbraw/zinc/95/50/31/823955031.db2.gz YTJJZEPJYBOSOO-UHFFFAOYSA-N 0 1 382.420 4.011 20 5 GIBDMN CC(C)[C@@H]1N(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC12CCOCC2 ZINC000414538569 824005432 /nfs/dbraw/zinc/00/54/32/824005432.db2.gz MHEZQOIATZLNAF-SFHVURJKSA-N 0 1 387.505 4.355 20 5 GIBDMN Cc1ccc(-c2noc(CCCN(C)Cc3ccccc3[N+](=O)[O-])n2)cc1F ZINC000192642106 824054253 /nfs/dbraw/zinc/05/42/53/824054253.db2.gz BSSUHJQBHXJZPC-UHFFFAOYSA-N 0 1 384.411 4.157 20 5 GIBDMN C[C@@H](N[C@@H](C)C(=O)Nc1ccccc1Br)c1cccc([N+](=O)[O-])c1 ZINC000056196187 823100701 /nfs/dbraw/zinc/10/07/01/823100701.db2.gz LDTJVAFADGOVOL-NEPJUHHUSA-N 0 1 392.253 4.035 20 5 GIBDMN C[C@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000056197296 823101097 /nfs/dbraw/zinc/10/10/97/823101097.db2.gz MGWVANTWDFABEV-RYUDHWBXSA-N 0 1 381.354 4.291 20 5 GIBDMN C[C@]1(c2ccccc2)CN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CCO1 ZINC000121339593 823165941 /nfs/dbraw/zinc/16/59/41/823165941.db2.gz FOUOEZMJWALIAW-JOCHJYFZSA-N 0 1 393.443 4.040 20 5 GIBDMN COc1cc(CN[C@@H](c2ccccc2)C2(CO)CCCC2)c([N+](=O)[O-])cc1F ZINC000459529722 823212802 /nfs/dbraw/zinc/21/28/02/823212802.db2.gz CRXRQFCSBVHARP-FQEVSTJZSA-N 0 1 388.439 4.126 20 5 GIBDMN CN(C)Cc1cc(CN[C@@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)ccc1F ZINC000571648324 823214304 /nfs/dbraw/zinc/21/43/04/823214304.db2.gz MRYQJTWQEIRBMS-KRWDZBQOSA-N 0 1 385.361 4.189 20 5 GIBDMN CCN(CC)[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)c1ccco1 ZINC000571900592 823251434 /nfs/dbraw/zinc/25/14/34/823251434.db2.gz KHIPRGOZRPKMFU-OAHLLOKOSA-N 0 1 399.369 4.020 20 5 GIBDMN O=[N+]([O-])c1ccc2oc(CN3CCCCC[C@@H]3C[C@@H](O)c3ccco3)nc2c1 ZINC000121824464 823258480 /nfs/dbraw/zinc/25/84/80/823258480.db2.gz AZGZARKHDNEHSZ-RHSMWYFYSA-N 0 1 385.420 4.197 20 5 GIBDMN Cc1cc(C(=O)Nc2nc(-c3ccc(C(C)(C)C)cc3)n[nH]2)ccc1[N+](=O)[O-] ZINC000008115507 818002572 /nfs/dbraw/zinc/00/25/72/818002572.db2.gz FJPXTNKTYQXLLM-UHFFFAOYSA-N 0 1 379.420 4.238 20 5 GIBDMN CN(C)Cc1ccnc(NC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)c1 ZINC000176924935 823325409 /nfs/dbraw/zinc/32/54/09/823325409.db2.gz CKCYSOMWWREGDZ-UHFFFAOYSA-N 0 1 391.431 4.047 20 5 GIBDMN CSc1nc2ccc(NS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)cc2s1 ZINC000016153959 818398498 /nfs/dbraw/zinc/39/84/98/818398498.db2.gz UGUZXQMSRDUUQV-UHFFFAOYSA-N 0 1 395.487 4.036 20 5 GIBDMN O=C(NC[C@H](c1ccccc1)N1CCCC1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000023739009 818977309 /nfs/dbraw/zinc/97/73/09/818977309.db2.gz IGPYXJRVZGZDIA-GOSISDBHSA-N 0 1 395.484 4.376 20 5 GIBDMN CCS[C@H]1CCCC[C@@H]1N[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000189505238 823433104 /nfs/dbraw/zinc/43/31/04/823433104.db2.gz WKLBYUWXXYJRPQ-RCBQFDQVSA-N 0 1 376.482 4.360 20 5 GIBDMN Cc1cc(C(=O)N[C@H](c2ccccc2)c2ccc3nc[nH]c3c2)ccc1[N+](=O)[O-] ZINC000025034381 819912550 /nfs/dbraw/zinc/91/25/50/819912550.db2.gz FFVDOTFNAVYBLQ-OAQYLSRUSA-N 0 1 386.411 4.299 20 5 GIBDMN CN(Cc1ccccc1[N+](=O)[O-])C[C@H](O)Cn1c2ccccc2c2ccccc21 ZINC000027208351 820209642 /nfs/dbraw/zinc/20/96/42/820209642.db2.gz WPSMLCBADVXXFV-SFHVURJKSA-N 0 1 389.455 4.196 20 5 GIBDMN Cc1ccc(S(=O)(=O)Nc2cc(Cl)c(Cl)cc2F)c([N+](=O)[O-])c1 ZINC000410424475 823493701 /nfs/dbraw/zinc/49/37/01/823493701.db2.gz SLIRIMNCNMMBBW-UHFFFAOYSA-N 0 1 379.196 4.150 20 5 GIBDMN O=[N+]([O-])c1ccc2[nH]c(CSc3nc(-c4ccc(Cl)cc4)n[nH]3)nc2c1 ZINC000059795329 823498973 /nfs/dbraw/zinc/49/89/73/823498973.db2.gz LLKRMTNRDJJWSZ-UHFFFAOYSA-N 0 1 386.824 4.202 20 5 GIBDMN O=C(N[C@H](CN1CCCC1)c1ccccc1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000031145180 820752104 /nfs/dbraw/zinc/75/21/04/820752104.db2.gz WVLBAWVEHVTUAF-GOSISDBHSA-N 0 1 395.484 4.376 20 5 GIBDMN C[C@H](NCCS(=O)(=O)C(C)(C)C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000180809117 821471004 /nfs/dbraw/zinc/47/10/04/821471004.db2.gz VUNYXWSESUCPLS-ZDUSSCGKSA-N 0 1 396.534 4.187 20 5 GIBDMN C[C@H](O)[C@H]1CCN(Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)C1 ZINC000180870778 821504698 /nfs/dbraw/zinc/50/46/98/821504698.db2.gz IXDJVBWLPBIFBY-ZFWWWQNUSA-N 0 1 376.840 4.243 20 5 GIBDMN Nc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc2nc(-c3cccc(F)c3)[nH]c2c1 ZINC000181267152 821725060 /nfs/dbraw/zinc/72/50/60/821725060.db2.gz WJFKDNXDRPOMSM-UHFFFAOYSA-N 0 1 391.362 4.112 20 5 GIBDMN C[C@@H](N[C@@H](C)c1ccc(-c2cccnc2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000181284558 821735165 /nfs/dbraw/zinc/73/51/65/821735165.db2.gz SGLTUXBFHUAKKI-JKSUJKDBSA-N 0 1 390.443 4.335 20 5 GIBDMN C[C@@H](N[C@@H](C)c1ccc(-c2cccnc2)cc1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000181317352 821755461 /nfs/dbraw/zinc/75/54/61/821755461.db2.gz ZTZFSPIUJSHFCA-JKSUJKDBSA-N 0 1 390.443 4.335 20 5 GIBDMN CC[C@H](NCC(=O)Nc1cc(C)c(Cl)cc1OC)c1cccc([N+](=O)[O-])c1 ZINC000181558994 821880527 /nfs/dbraw/zinc/88/05/27/821880527.db2.gz DTPFVFCBEMASPH-INIZCTEOSA-N 0 1 391.855 4.245 20 5 GIBDMN COc1ccc(NC(=O)CCN[C@H](C)c2c(F)cccc2Cl)c([N+](=O)[O-])c1 ZINC000181741092 821971388 /nfs/dbraw/zinc/97/13/88/821971388.db2.gz GUYVPPGYCRZTJK-LLVKDONJSA-N 0 1 395.818 4.075 20 5 GIBDMN CCSc1ccc([C@H](C)NCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc1 ZINC000182137206 822112142 /nfs/dbraw/zinc/11/21/42/822112142.db2.gz KVYRGBVHSNVIHM-ZDUSSCGKSA-N 0 1 389.477 4.005 20 5 GIBDMN Cc1nc(-c2ccccc2)sc1[C@H](C)NCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000178206842 822352364 /nfs/dbraw/zinc/35/23/64/822352364.db2.gz HPZDYMZEBHFORB-ZDUSSCGKSA-N 0 1 396.472 4.316 20 5 GIBDMN Cc1cc(Br)c(O)c(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000182907329 822390491 /nfs/dbraw/zinc/39/04/91/822390491.db2.gz VKXQPUMLCLQZPY-UHFFFAOYSA-N 0 1 385.601 4.277 20 5 GIBDMN Cc1cc(C[C@@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)n[nH]1 ZINC000178759342 822407658 /nfs/dbraw/zinc/40/76/58/822407658.db2.gz BVHILVNITCJGEW-CYBMUJFWSA-N 0 1 396.472 4.139 20 5 GIBDMN CC(C)Oc1ccc([N+](=O)[O-])cc1CN[C@@H](C)c1ccccc1-n1cccn1 ZINC000183151773 822432207 /nfs/dbraw/zinc/43/22/07/822432207.db2.gz SFOGJOILMRMARF-INIZCTEOSA-N 0 1 380.448 4.419 20 5 GIBDMN Cc1c(NC(=O)[C@@H](C)N[C@@H](C)c2cccc(OC(F)F)c2)cccc1[N+](=O)[O-] ZINC000179589267 822507931 /nfs/dbraw/zinc/50/79/31/822507931.db2.gz FQBXLPXZZCQCKD-QWHCGFSZSA-N 0 1 393.390 4.182 20 5 GIBDMN Cc1ccc([C@H](C)N[C@H](CC(C)C)C(=O)Nc2nccs2)cc1[N+](=O)[O-] ZINC000179599590 822510266 /nfs/dbraw/zinc/51/02/66/822510266.db2.gz PAVBSYRIOXCZCI-DZGCQCFKSA-N 0 1 376.482 4.064 20 5 GIBDMN C[C@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(OC(F)F)cc1 ZINC000179600431 822510416 /nfs/dbraw/zinc/51/04/16/822510416.db2.gz ZPDUUFQKKAYKQX-JTQLQIEISA-N 0 1 399.781 4.139 20 5 GIBDMN CC(C)c1ccc(CN2CCC(C(=O)Nc3ccccc3O)CC2)cc1[N+](=O)[O-] ZINC000179767570 822548179 /nfs/dbraw/zinc/54/81/79/822548179.db2.gz FRIFGSAPAMPLTM-UHFFFAOYSA-N 0 1 397.475 4.275 20 5 GIBDMN Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2nc(C)c(Cl)cc2Cl)cc1C ZINC000180210660 822640058 /nfs/dbraw/zinc/64/00/58/822640058.db2.gz LYTZGKLFBUFNBE-UHFFFAOYSA-N 0 1 390.248 4.023 20 5 GIBDMN C[C@@H](NCC(=O)N(C)[C@H](C)c1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC000180423038 822679075 /nfs/dbraw/zinc/67/90/75/822679075.db2.gz ZCASJQQWVULZFN-ZIAGYGMSSA-N 0 1 375.856 4.118 20 5 GIBDMN C[C@H](NCC(=O)Nc1ccc(SC(F)F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000180456497 822685792 /nfs/dbraw/zinc/68/57/92/822685792.db2.gz YPACZCXNXKKYMT-NSHDSACASA-N 0 1 381.404 4.199 20 5 GIBDMN CCOc1ccc([C@H](C)NCc2cccc(OCC(F)F)c2)cc1[N+](=O)[O-] ZINC000180527424 822696500 /nfs/dbraw/zinc/69/65/00/822696500.db2.gz HQAXFYOVSXOBEA-ZDUSSCGKSA-N 0 1 380.391 4.488 20 5 GIBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)[C@@H](C)c1ccccc1Cl ZINC000053235935 822827479 /nfs/dbraw/zinc/82/74/79/822827479.db2.gz RVTASVWSWAWLIT-ZDUSSCGKSA-N 0 1 391.855 4.278 20 5 GIBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](c1ccc(F)cc1)C(C)(C)C ZINC000053644340 822843759 /nfs/dbraw/zinc/84/37/59/822843759.db2.gz GSKMDOIHPWDLKX-LJQANCHMSA-N 0 1 389.427 4.058 20 5 GIBDMN CSc1cccc(C(=O)N2CCCN(Cc3ccccc3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000186563349 822913915 /nfs/dbraw/zinc/91/39/15/822913915.db2.gz LNLNUVRDLCETDH-INIZCTEOSA-N 0 1 399.516 4.053 20 5 GIBDMN CN(C)C[C@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(F)cc1 ZINC000569611719 822944512 /nfs/dbraw/zinc/94/45/12/822944512.db2.gz JTNANPMHPAAEES-FQEVSTJZSA-N 0 1 383.423 4.386 20 5 GIBDMN CCO[C@@H]1C[C@@H](N[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1(CC)CC ZINC000187042217 823002829 /nfs/dbraw/zinc/00/28/29/823002829.db2.gz PKWIVFAFTLDBPE-IAOVAPTHSA-N 0 1 388.468 4.279 20 5 GIBDMN C[C@@H](c1nc2ccccc2s1)N(C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411318268 823564212 /nfs/dbraw/zinc/56/42/12/823564212.db2.gz CAWGMMQWBXLWIZ-ZDUSSCGKSA-N 0 1 384.461 4.226 20 5 GIBDMN O=C(CCN[C@@H](CC(F)(F)F)c1ccc(F)cc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000411448024 823575535 /nfs/dbraw/zinc/57/55/35/823575535.db2.gz DNTKPKYPWUEBLD-INIZCTEOSA-N 0 1 399.344 4.346 20 5 GIBDMN CC(C)c1nnc(-c2ccccc2NC(=O)CCc2cccc([N+](=O)[O-])c2)[nH]1 ZINC000125365385 823670870 /nfs/dbraw/zinc/67/08/70/823670870.db2.gz WOEHQVXTOIXBPQ-UHFFFAOYSA-N 0 1 379.420 4.075 20 5 GIBDMN O=C(N[C@H](c1ccc(Cl)cc1)c1ccccc1Cl)c1n[nH]cc1[N+](=O)[O-] ZINC000163494567 823715529 /nfs/dbraw/zinc/71/55/29/823715529.db2.gz VLNGTXASZNJXNA-OAHLLOKOSA-N 0 1 391.214 4.144 20 5 GIBDMN O=[N+]([O-])c1ccc(N2CCC[C@H](c3ncc(C(F)(F)F)[nH]3)C2)c2cccnc21 ZINC000413258076 823739815 /nfs/dbraw/zinc/73/98/15/823739815.db2.gz DMBUNPAUVWNUFK-NSHDSACASA-N 0 1 391.353 4.269 20 5 GIBDMN Cc1c(NC(=O)CCN(C)[C@H](C)c2cc(F)ccc2F)cccc1[N+](=O)[O-] ZINC000165186853 823839095 /nfs/dbraw/zinc/83/90/95/823839095.db2.gz WVGVIKKNXCCQRJ-CYBMUJFWSA-N 0 1 377.391 4.203 20 5 GIBDMN Cc1cc(C(=O)Nc2ccc(CN3CCSCC3)cc2C)cc([N+](=O)[O-])c1 ZINC000126450870 823870775 /nfs/dbraw/zinc/87/07/75/823870775.db2.gz GHGWIRQPLBNHOM-UHFFFAOYSA-N 0 1 385.489 4.013 20 5 GIBDMN Cc1ccc(-c2n[nH]c(NC(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2C)o1 ZINC000192488606 824009140 /nfs/dbraw/zinc/00/91/40/824009140.db2.gz FVFWYZNRUQKSMG-UHFFFAOYSA-N 0 1 394.309 4.466 20 5 GIBDMN O=C(Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000175887744 823063963 /nfs/dbraw/zinc/06/39/63/823063963.db2.gz MJQOHMKVRDYMML-OAHLLOKOSA-N 0 1 386.795 4.228 20 5 GIBDMN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCSC2(CCCCC2)C1 ZINC000175965206 823083445 /nfs/dbraw/zinc/08/34/45/823083445.db2.gz AIEDLPWLGCTQAX-CQSZACIVSA-N 0 1 388.493 4.458 20 5 GIBDMN Cc1noc(C)c1CO[C@@H]1CCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000571006723 823119214 /nfs/dbraw/zinc/11/92/14/823119214.db2.gz KUGUAHYYPPPEKM-GOSISDBHSA-N 0 1 397.431 4.251 20 5 GIBDMN CCN(CC)CC(=O)Nc1cccc(NC/C(C)=C/c2cccc([N+](=O)[O-])c2)c1 ZINC000571153733 823141555 /nfs/dbraw/zinc/14/15/55/823141555.db2.gz RTPFVPCPECQTKM-SFQUDFHCSA-N 0 1 396.491 4.391 20 5 GIBDMN COc1ccc(CN[C@H](C)c2ccccn2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409489496 823233136 /nfs/dbraw/zinc/23/31/36/823233136.db2.gz ZAVURJFZMGNQOQ-MRXNPFEDSA-N 0 1 393.443 4.428 20 5 GIBDMN C[C@H](CCCc1cccnc1)N[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000459646808 823237661 /nfs/dbraw/zinc/23/76/61/823237661.db2.gz SRAYVABCGITPNM-HUUCEWRRSA-N 0 1 381.436 4.102 20 5 GIBDMN CCOc1cccc(CN[C@@H]2CCc3c2cccc3[N+](=O)[O-])c1OC(F)F ZINC000572616984 823369763 /nfs/dbraw/zinc/36/97/63/823369763.db2.gz MTJQFLPRBBIVOM-OAHLLOKOSA-N 0 1 378.375 4.372 20 5 GIBDMN C[C@@H](N[C@@H](C)c1ccc(Br)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000023994725 819004328 /nfs/dbraw/zinc/00/43/28/819004328.db2.gz OWNHXSKWTCFYHO-NWDGAFQWSA-N 0 1 392.253 4.035 20 5 GIBDMN O=[N+]([O-])c1cc(CN2CCC(CCc3ccc(O)cc3)CC2)c2c(c1)COCO2 ZINC000026113870 820059570 /nfs/dbraw/zinc/05/95/70/820059570.db2.gz NSRFITJOHOXQIW-UHFFFAOYSA-N 0 1 398.459 4.012 20 5 GIBDMN COc1ccc(Cl)cc1CN(C)CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000027739499 820281244 /nfs/dbraw/zinc/28/12/44/820281244.db2.gz MGZZSBUIGCIVJQ-UHFFFAOYSA-N 0 1 391.855 4.026 20 5 GIBDMN CN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000028063441 820308704 /nfs/dbraw/zinc/30/87/04/820308704.db2.gz QSLRZYLQURWUKE-UHFFFAOYSA-N 0 1 379.203 4.050 20 5 GIBDMN O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccc2nc(-c3ccc(F)cc3)[nH]c2c1 ZINC000058989469 823479875 /nfs/dbraw/zinc/47/98/75/823479875.db2.gz TWIJQZAPHDDYEA-UHFFFAOYSA-N 0 1 390.374 4.458 20 5 GIBDMN Cc1sc(S(=O)(=O)Nc2cc(Cl)c(Cl)cc2F)cc1[N+](=O)[O-] ZINC000410423747 823493278 /nfs/dbraw/zinc/49/32/78/823493278.db2.gz PSSXSGDYGMMEAY-UHFFFAOYSA-N 0 1 385.225 4.211 20 5 GIBDMN O=[N+]([O-])c1cc(CNCc2ccccc2CO)ccc1Oc1ccc(F)cc1 ZINC000123503587 823515363 /nfs/dbraw/zinc/51/53/63/823515363.db2.gz CUECNXGXSHBDGK-UHFFFAOYSA-N 0 1 382.391 4.308 20 5 GIBDMN CO[C@@H]1CC[C@@H]2OCCN(Cc3ccc(-c4ccc([N+](=O)[O-])cc4)s3)[C@@H]2C1 ZINC000180812444 821473793 /nfs/dbraw/zinc/47/37/93/821473793.db2.gz SIUHWUYMXPAITK-QRQLOZEOSA-N 0 1 388.489 4.092 20 5 GIBDMN Cc1ccc([C@H](C)NCC(=O)Nc2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] ZINC000181833347 822011375 /nfs/dbraw/zinc/01/13/75/822011375.db2.gz BLUWKMBQSNHINQ-NSHDSACASA-N 0 1 382.247 4.499 20 5 GIBDMN CC[C@@H]1c2ccsc2CCN1C(=O)CN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000181835518 822012210 /nfs/dbraw/zinc/01/22/10/822012210.db2.gz JSIFFFPCBLRHQZ-WMLDXEAASA-N 0 1 387.505 4.151 20 5 GIBDMN Cc1ccc([C@H](C)NCC(=O)N[C@H](C)c2ccccc2Cl)cc1[N+](=O)[O-] ZINC000181839837 822013779 /nfs/dbraw/zinc/01/37/79/822013779.db2.gz LDQYVXWLMWBSBG-UONOGXRCSA-N 0 1 375.856 4.085 20 5 GIBDMN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000181938666 822040616 /nfs/dbraw/zinc/04/06/16/822040616.db2.gz MLRYXGQYIZHIHF-AZUAARDMSA-N 0 1 399.516 4.271 20 5 GIBDMN Cc1ccccc1C(=O)NC1CCN([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000182858649 822380249 /nfs/dbraw/zinc/38/02/49/822380249.db2.gz YSLAHVYKZSSXOV-KRWDZBQOSA-N 0 1 381.476 4.167 20 5 GIBDMN Cc1ccc([C@H](C)N[C@@H](C)C(=O)Nc2ccccc2OC(F)F)cc1[N+](=O)[O-] ZINC000178679659 822402235 /nfs/dbraw/zinc/40/22/35/822402235.db2.gz OFELLZMRWYQKDT-STQMWFEESA-N 0 1 393.390 4.182 20 5 GIBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@@H](C)c1ccc(F)cc1Cl ZINC000179563554 822504112 /nfs/dbraw/zinc/50/41/12/822504112.db2.gz YHWIUFWQLMBYFU-NSHDSACASA-N 0 1 395.818 4.075 20 5 GIBDMN Cc1c(NC(=O)[C@@H](C)N[C@H](C)c2cccc(OC(F)F)c2)cccc1[N+](=O)[O-] ZINC000179589286 822507875 /nfs/dbraw/zinc/50/78/75/822507875.db2.gz FQBXLPXZZCQCKD-CHWSQXEVSA-N 0 1 393.390 4.182 20 5 GIBDMN O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000179863463 822568194 /nfs/dbraw/zinc/56/81/94/822568194.db2.gz DTQYZORHUXVJLG-UHFFFAOYSA-N 0 1 378.360 4.140 20 5 GIBDMN O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccccc1-c1nc(-c2ccccc2)n[nH]1 ZINC000047371820 822571881 /nfs/dbraw/zinc/57/18/81/822571881.db2.gz TXGTVZJSTYRDRF-UHFFFAOYSA-N 0 1 399.410 4.228 20 5 GIBDMN COc1cc(CN[C@H](c2ccc3c(c2)OCCO3)C(C)C)c([N+](=O)[O-])cc1F ZINC000184299526 822610802 /nfs/dbraw/zinc/61/08/02/822610802.db2.gz RUJYOBPPPCRDPQ-FQEVSTJZSA-N 0 1 390.411 4.001 20 5 GIBDMN C[C@@H](C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1)c1ccc([N+](=O)[O-])cc1F ZINC000185192564 822747549 /nfs/dbraw/zinc/74/75/49/822747549.db2.gz ZHJOPJVVCQLVIF-MRVPVSSYSA-N 0 1 378.310 4.290 20 5 GIBDMN O=[N+]([O-])c1cc(C(F)(F)F)ccc1NC1CCN(Cc2ccncc2)CC1 ZINC000052447719 822800039 /nfs/dbraw/zinc/80/00/39/822800039.db2.gz VTHUJWKJJXWCRS-UHFFFAOYSA-N 0 1 380.370 4.085 20 5 GIBDMN COc1ccc(NC(=O)CN[C@H](c2ccc(F)cc2)C(C)(C)C)c([N+](=O)[O-])c1 ZINC000053644344 822843659 /nfs/dbraw/zinc/84/36/59/822843659.db2.gz HENRZPDMSPAEKI-LJQANCHMSA-N 0 1 389.427 4.058 20 5 GIBDMN COc1ccc(CN[C@H](C)c2ccc(Br)cc2OC)cc1[N+](=O)[O-] ZINC000190446642 823575409 /nfs/dbraw/zinc/57/54/09/823575409.db2.gz FLYLRUGEHDISRX-LLVKDONJSA-N 0 1 395.253 4.225 20 5 GIBDMN CCN(Cc1c[nH]c2ccccc12)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000190490969 823580559 /nfs/dbraw/zinc/58/05/59/823580559.db2.gz YHWLSJYDFJHUEY-HNNXBMFYSA-N 0 1 380.448 4.234 20 5 GIBDMN O=C(Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000411530386 823585058 /nfs/dbraw/zinc/58/50/58/823585058.db2.gz UKUOMSXKXNJJGQ-FCEWJHQRSA-N 0 1 392.415 4.065 20 5 GIBDMN CC(C)c1nnc(-c2ccccc2NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)[nH]1 ZINC000413217215 823730244 /nfs/dbraw/zinc/73/02/44/823730244.db2.gz YAAOYUGHWSWHSI-DLBZAZTESA-N 0 1 391.431 4.246 20 5 GIBDMN COc1ccc(CCCN(C)[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000125888096 823738328 /nfs/dbraw/zinc/73/83/28/823738328.db2.gz SSGFFCXBNYSMCO-OAHLLOKOSA-N 0 1 396.447 4.279 20 5 GIBDMN CC[C@H](N[C@H](C)c1cc([N+](=O)[O-])ccc1C)c1ccccc1OCC(=O)N(C)C ZINC000165689402 823858762 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PESTUEVHEWMFFI-UHFFFAOYSA-N 0 1 393.447 4.163 20 5 GIBDMN CC(C)CN(Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@@H]1CCCc2cccnc21 ZINC000126921040 823981470 /nfs/dbraw/zinc/98/14/70/823981470.db2.gz QJSQZEIFKYIPOF-HXUWFJFHSA-N 0 1 397.475 4.392 20 5 GIBDMN O=[N+]([O-])c1cccc(-c2nc(CN[C@@H]3CCN(c4ccc(F)cc4)C3)cs2)c1 ZINC000414595357 824017171 /nfs/dbraw/zinc/01/71/71/824017171.db2.gz SRRILKSPJJVESU-MRXNPFEDSA-N 0 1 398.463 4.226 20 5 GIBDMN Cc1ccc2nc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)[nH]c2c1 ZINC000004485790 212064636 /nfs/dbraw/zinc/06/46/36/212064636.db2.gz OKPKJCDGPJSOAU-UHFFFAOYSA-N 0 1 376.825 4.164 20 5 GIBDMN CC1(C)C[C@@H](NCc2nc(-c3ccc(F)cc3)n[nH]2)c2cc([N+](=O)[O-])ccc21 ZINC000570658731 823068213 /nfs/dbraw/zinc/06/82/13/823068213.db2.gz NEWSCBNPIZBVJR-QGZVFWFLSA-N 0 1 381.411 4.031 20 5 GIBDMN O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc3nc(C4CC4)oc3c2)ccc1Cl ZINC000175971809 823085483 /nfs/dbraw/zinc/08/54/83/823085483.db2.gz BPLYAQWMNGCTIA-UHFFFAOYSA-N 0 1 393.808 4.068 20 5 GIBDMN 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391.855 4.325 20 5 GIBDMN O=C(C1CCCC1)N1CC[C@H](N[C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)C1 ZINC000180781649 821454700 /nfs/dbraw/zinc/45/47/00/821454700.db2.gz CJSRICZYHQRTTR-UNMCSNQZSA-N 0 1 393.487 4.065 20 5 GIBDMN CO[C@@H]1CC[C@H]2OCCN(Cc3ccc(-c4ccc([N+](=O)[O-])cc4)s3)[C@@H]2C1 ZINC000180812408 821473644 /nfs/dbraw/zinc/47/36/44/821473644.db2.gz SIUHWUYMXPAITK-BHIYHBOVSA-N 0 1 388.489 4.092 20 5 GIBDMN C[C@@H](N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)c1ccc(-c2ccncc2)cc1 ZINC000180908206 821529416 /nfs/dbraw/zinc/52/94/16/821529416.db2.gz HJRYOQAKBPQQNM-CVEARBPZSA-N 0 1 390.443 4.335 20 5 GIBDMN Nc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc2nc(-c3ccc(F)cc3)[nH]c2c1 ZINC000180934267 821545934 /nfs/dbraw/zinc/54/59/34/821545934.db2.gz DKCXKXMQVOXXDY-UHFFFAOYSA-N 0 1 391.362 4.112 20 5 GIBDMN NC(=O)c1ccc(CN[C@@H](c2cccc(Cl)c2)C2CCCC2)c([N+](=O)[O-])c1 ZINC000181034804 821604124 /nfs/dbraw/zinc/60/41/24/821604124.db2.gz DBMWSZCLKUAJSR-LJQANCHMSA-N 0 1 387.867 4.368 20 5 GIBDMN C[C@@H](N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccc(-c2cccnc2)cc1 ZINC000181284537 821735197 /nfs/dbraw/zinc/73/51/97/821735197.db2.gz SGLTUXBFHUAKKI-CVEARBPZSA-N 0 1 390.443 4.335 20 5 GIBDMN Cc1cc(C(=O)NC2CCN([C@H](C)c3cc([N+](=O)[O-])ccc3C)CC2)c(C)o1 ZINC000182740918 822360543 /nfs/dbraw/zinc/36/05/43/822360543.db2.gz JHPRGDGSZZAJRI-OAHLLOKOSA-N 0 1 385.464 4.068 20 5 GIBDMN O=[N+]([O-])c1ccc(NC2CCN(Cc3ccncc3)CC2)nc1-c1ccccc1 ZINC000179508094 822493142 /nfs/dbraw/zinc/49/31/42/822493142.db2.gz KXNJPRQPSJZXFO-UHFFFAOYSA-N 0 1 389.459 4.128 20 5 GIBDMN CSc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)c1 ZINC000179864203 822568196 /nfs/dbraw/zinc/56/81/96/822568196.db2.gz WMKFUBNWFBHXRW-UHFFFAOYSA-N 0 1 378.360 4.383 20 5 GIBDMN O=C(CCN[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)Nc1ccccc1 ZINC000180535931 822698070 /nfs/dbraw/zinc/69/80/70/822698070.db2.gz IITORUJFKKDXGN-QFIPXVFZSA-N 0 1 375.428 4.303 20 5 GIBDMN C[C@H](NCc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccc(Cl)c2ccccc21 ZINC000185396777 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IFIGNPSQQGUSRT-QGZVFWFLSA-N 0 1 392.459 4.362 20 5 GIBDMN COc1ccc(-c2ccc(CN[C@H](CCCO)c3ccccc3)o2)c([N+](=O)[O-])c1 ZINC000124372090 823591234 /nfs/dbraw/zinc/59/12/34/823591234.db2.gz NQBRXUWSPZGKDS-HXUWFJFHSA-N 0 1 396.443 4.467 20 5 GIBDMN COc1ccc(NC(=O)[C@@H](C)N[C@H](C)c2cc3ccccc3o2)c([N+](=O)[O-])c1 ZINC000190624845 823592940 /nfs/dbraw/zinc/59/29/40/823592940.db2.gz VKZUXBLWZSURGX-CHWSQXEVSA-N 0 1 383.404 4.027 20 5 GIBDMN Cc1ccc2nc([C@H]3CCCN3C(=O)[C@@H]3C[C@H]3c3ccc([N+](=O)[O-])cc3)[nH]c2c1 ZINC000411740604 823601212 /nfs/dbraw/zinc/60/12/12/823601212.db2.gz CNLWZLLLZGCXSH-SQGPQFPESA-N 0 1 390.443 4.247 20 5 GIBDMN COc1cc(C(=O)N2CCC[C@H]2c2nc3ccc(C)cc3[nH]2)cc([N+](=O)[O-])c1C ZINC000190724207 823602241 /nfs/dbraw/zinc/60/22/41/823602241.db2.gz ZVOVZNMEOSHHHP-KRWDZBQOSA-N 0 1 394.431 4.074 20 5 GIBDMN COc1ccc(CNCc2c(C)noc2C)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000063550124 823678902 /nfs/dbraw/zinc/67/89/02/823678902.db2.gz MLDVTNDVSQLZLF-UHFFFAOYSA-N 0 1 397.431 4.077 20 5 GIBDMN Cc1cc(N2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461936477 823765298 /nfs/dbraw/zinc/76/52/98/823765298.db2.gz RGFGLWRLUWXBFM-GFCCVEGCSA-N 0 1 395.385 4.302 20 5 GIBDMN Cc1cc(N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461936477 823765303 /nfs/dbraw/zinc/76/53/03/823765303.db2.gz RGFGLWRLUWXBFM-GFCCVEGCSA-N 0 1 395.385 4.302 20 5 GIBDMN CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000126163672 823803123 /nfs/dbraw/zinc/80/31/23/823803123.db2.gz CNLGTGHNEJEPGP-UHFFFAOYSA-N 0 1 399.516 4.055 20 5 GIBDMN O=C([O-])c1ccc([N+](=O)[O-])c(NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000574755814 823819373 /nfs/dbraw/zinc/81/93/73/823819373.db2.gz NSVOPBRCBCHDPS-KRWDZBQOSA-N 0 1 383.448 4.007 20 5 GIBDMN COc1ccc([N+](=O)[O-])cc1CN[C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000192107637 823862772 /nfs/dbraw/zinc/86/27/72/823862772.db2.gz KHEDBMQKIRUHKY-WMZOPIPTSA-N 0 1 380.803 4.016 20 5 GIBDMN C[C@@H]1CC[N@@H+](Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C[C@H]1C(=O)[O-] ZINC000575123655 823917384 /nfs/dbraw/zinc/91/73/84/823917384.db2.gz RRQBNHFOOKGZPZ-CXAGYDPISA-N 0 1 388.395 4.069 20 5 GIBDMN CC[C@H](NCc1cc(Cl)cc(S(=O)(=O)CC)c1)c1cccc([N+](=O)[O-])c1 ZINC000414212286 823930058 /nfs/dbraw/zinc/93/00/58/823930058.db2.gz QUMMEAXCNLRGOE-SFHVURJKSA-N 0 1 396.896 4.283 20 5 GIBDMN CC(C)NC(=O)[C@H](C)NCc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000414545929 824007420 /nfs/dbraw/zinc/00/74/20/824007420.db2.gz SFPKKAOLDLQAJY-ZDUSSCGKSA-N 0 1 391.855 4.043 20 5 GIBDMN COc1cc(CN[C@H](c2ccccc2)C2CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000192511981 824016425 /nfs/dbraw/zinc/01/64/25/824016425.db2.gz AATQBTWDBXRPTN-GOSISDBHSA-N 0 1 378.375 4.446 20 5 GIBDMN CC[C@H](C)[N@@H+](CC(=O)[O-])Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000414685206 824023762 /nfs/dbraw/zinc/02/37/62/824023762.db2.gz SIDSFZBNJZVLCJ-ZDUSSCGKSA-N 0 1 376.384 4.211 20 5 GIBDMN C[C@H](NCc1nc2ccc(Br)cc2[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000187419446 823060136 /nfs/dbraw/zinc/06/01/36/823060136.db2.gz PAFBJLMICOYGJY-JTQLQIEISA-N 0 1 375.226 4.084 20 5 GIBDMN Cc1c(NC(=O)[C@@H](C)N[C@@H](C)c2cccc(OC(C)C)c2)cccc1[N+](=O)[O-] ZINC000056156796 823091628 /nfs/dbraw/zinc/09/16/28/823091628.db2.gz PSYXVHDMGHRFFS-JKSUJKDBSA-N 0 1 385.464 4.368 20 5 GIBDMN Cc1nn(CN2CCC[C@H](c3nc4ccccc4o3)C2)c2cc([N+](=O)[O-])ccc12 ZINC000121097669 823117887 /nfs/dbraw/zinc/11/78/87/823117887.db2.gz LUKWFDLFDWULFV-HNNXBMFYSA-N 0 1 391.431 4.231 20 5 GIBDMN CCOc1cc(CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)cc(Br)c1O ZINC000459567118 823222075 /nfs/dbraw/zinc/22/20/75/823222075.db2.gz JHQFLMGELGEFIJ-NSHDSACASA-N 0 1 395.253 4.312 20 5 GIBDMN CC(C)(O)C1CN(Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 ZINC000459615087 823230134 /nfs/dbraw/zinc/23/01/34/823230134.db2.gz VQFRDLNADWVIFX-UHFFFAOYSA-N 0 1 376.840 4.243 20 5 GIBDMN O=[N+]([O-])c1ccccc1/C=C\CN1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459649578 823238563 /nfs/dbraw/zinc/23/85/63/823238563.db2.gz MELXFAXQYLYUEZ-IVZVJUQRSA-N 0 1 384.398 4.289 20 5 GIBDMN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccccc2SC(F)F)c1C ZINC000015248304 818302807 /nfs/dbraw/zinc/30/28/07/818302807.db2.gz QUSSDSSKUQAFMG-UHFFFAOYSA-N 0 1 388.417 4.327 20 5 GIBDMN CN(C)Cc1ccnc(NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)c1 ZINC000176941952 823330397 /nfs/dbraw/zinc/33/03/97/823330397.db2.gz QGRJXOABIGNQCT-UHFFFAOYSA-N 0 1 392.415 4.096 20 5 GIBDMN O=C(CN1CCCCCC1)Nc1ccc(NCc2cccc([N+](=O)[O-])c2)cc1 ZINC000122493383 823362936 /nfs/dbraw/zinc/36/29/36/823362936.db2.gz DUWVZSXVJISFDC-UHFFFAOYSA-N 0 1 382.464 4.021 20 5 GIBDMN CCOc1ccc(NC(=O)CN[C@H](CC)c2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000024252853 819039532 /nfs/dbraw/zinc/03/95/32/819039532.db2.gz AXMXRGNNVQHUOG-MRXNPFEDSA-N 0 1 391.855 4.326 20 5 GIBDMN C[C@@H](N[C@H]1CCSc2ccc(Cl)cc21)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000025215378 819944193 /nfs/dbraw/zinc/94/41/93/819944193.db2.gz DRWRDLPFMHJXHZ-BZNIZROVSA-N 0 1 391.880 4.402 20 5 GIBDMN Cc1c(NC(=O)CCN[C@H](c2ccccc2)c2ccccn2)cccc1[N+](=O)[O-] ZINC000026230799 820072419 /nfs/dbraw/zinc/07/24/19/820072419.db2.gz GCIQQJLRGJQSFS-JOCHJYFZSA-N 0 1 390.443 4.006 20 5 GIBDMN Cc1cccc(C(=O)NC[C@H](c2cccs2)N2CCC(C)CC2)c1[N+](=O)[O-] ZINC000027573004 820261242 /nfs/dbraw/zinc/26/12/42/820261242.db2.gz GHGZIWAPQZXUBO-QGZVFWFLSA-N 0 1 387.505 4.168 20 5 GIBDMN Cc1ccc([C@H](C)NCc2cccc(C(=O)N3CCCCC3)c2)cc1[N+](=O)[O-] ZINC000177875395 823539710 /nfs/dbraw/zinc/53/97/10/823539710.db2.gz AZXFSHGPQKGXDY-KRWDZBQOSA-N 0 1 381.476 4.380 20 5 GIBDMN O=[N+]([O-])c1cccc([C@H](N[C@H]2CCN(c3ncccc3F)C2)c2ccccc2)c1 ZINC000180748559 821432252 /nfs/dbraw/zinc/43/22/52/821432252.db2.gz RZZMIBCNAINKJQ-GHTZIAJQSA-N 0 1 392.434 4.087 20 5 GIBDMN C[C@@H](O)[C@H]1CCN(Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)C1 ZINC000180870798 821504734 /nfs/dbraw/zinc/50/47/34/821504734.db2.gz IXDJVBWLPBIFBY-HIFRSBDPSA-N 0 1 376.840 4.243 20 5 GIBDMN CCn1c2ccccc2nc1[C@H](C)N[C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000180993241 821581148 /nfs/dbraw/zinc/58/11/48/821581148.db2.gz FQPWJMJVLHJAQL-CABCVRRESA-N 0 1 395.463 4.032 20 5 GIBDMN CC(C)Oc1ccc([N+](=O)[O-])cc1CN[C@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000181279082 821731780 /nfs/dbraw/zinc/73/17/80/821731780.db2.gz AQWLKFKEVQGFJU-OAHLLOKOSA-N 0 1 399.447 4.189 20 5 GIBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@@H](C)c1ccc(-c2cccnc2)cc1 ZINC000181298456 821742851 /nfs/dbraw/zinc/74/28/51/821742851.db2.gz DHTJXUMFBNUVJL-INIZCTEOSA-N 0 1 390.443 4.255 20 5 GIBDMN Cc1ccc([C@H](C)NCC(=O)N[C@@H](C)c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000181826487 822008291 /nfs/dbraw/zinc/00/82/91/822008291.db2.gz GEYURIKCZWSMMA-KBPBESRZSA-N 0 1 375.856 4.085 20 5 GIBDMN Cc1ccc([C@@H](C)NCC(=O)N(C)[C@@H](C)c2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC000181828364 822009044 /nfs/dbraw/zinc/00/90/44/822009044.db2.gz HPRLSDFVLHRSFZ-KGLIPLIRSA-N 0 1 391.418 4.052 20 5 GIBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC(NC(=O)Nc2ccccc2)CC1 ZINC000182861184 822381248 /nfs/dbraw/zinc/38/12/48/822381248.db2.gz UMDDXDGORFDNPT-INIZCTEOSA-N 0 1 382.464 4.250 20 5 GIBDMN Cc1ccc([C@@H](C)N[C@@H](C)C(=O)Nc2ccccc2OC(F)F)cc1[N+](=O)[O-] ZINC000178679644 822402266 /nfs/dbraw/zinc/40/22/66/822402266.db2.gz OFELLZMRWYQKDT-OLZOCXBDSA-N 0 1 393.390 4.182 20 5 GIBDMN Cc1ccc([C@@H](C)N[C@H](C)C(=O)Nc2ccc(OC(F)F)cc2)cc1[N+](=O)[O-] ZINC000178682134 822402407 /nfs/dbraw/zinc/40/24/07/822402407.db2.gz DPKMLKHCMXWFCI-CHWSQXEVSA-N 0 1 393.390 4.182 20 5 GIBDMN Cc1ccc([C@@H](C)N[C@@H](C)C(=O)Nc2cc(Cl)ccc2F)cc1[N+](=O)[O-] ZINC000178683441 822402745 /nfs/dbraw/zinc/40/27/45/822402745.db2.gz MSNNWIGDEYYWPB-NEPJUHHUSA-N 0 1 379.819 4.374 20 5 GIBDMN O=[N+]([O-])c1ccc(NC2CCN(Cc3ccncc3)CC2)cc1C(F)(F)F ZINC000179256266 822458011 /nfs/dbraw/zinc/45/80/11/822458011.db2.gz MCSVIFPEAUVQMU-UHFFFAOYSA-N 0 1 380.370 4.085 20 5 GIBDMN Cc1cc(C)cc([C@H]2CCN(Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C2)c1 ZINC000183470742 822480002 /nfs/dbraw/zinc/48/00/02/822480002.db2.gz POWHBYHXEIZHOO-KRWDZBQOSA-N 0 1 378.432 4.251 20 5 GIBDMN Cc1c([C@@H](C)N[C@H](CC(C)C)C(=O)Nc2nccs2)cccc1[N+](=O)[O-] ZINC000179599881 822510271 /nfs/dbraw/zinc/51/02/71/822510271.db2.gz AKMNIEOXZFCJJS-UKRRQHHQSA-N 0 1 376.482 4.064 20 5 GIBDMN O=C(CCCNc1ccc([N+](=O)[O-])cc1)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000179835650 822563061 /nfs/dbraw/zinc/56/30/61/822563061.db2.gz CKFMXOMFTDIBQY-UHFFFAOYSA-N 0 1 389.362 4.240 20 5 GIBDMN CCc1ccccc1NC(=O)C[C@@H](C)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000184664602 822672706 /nfs/dbraw/zinc/67/27/06/822672706.db2.gz VPIHWCBJCBIWET-CYBMUJFWSA-N 0 1 375.856 4.318 20 5 GIBDMN O=[N+]([O-])c1cccc([C@@H](NCc2ccc(-n3cncn3)cc2)c2ccccc2)c1 ZINC000180454531 822685296 /nfs/dbraw/zinc/68/52/96/822685296.db2.gz MLRNLICGZNIDEK-QFIPXVFZSA-N 0 1 385.427 4.055 20 5 GIBDMN CCc1c(NC(=O)[C@@H](CC)Cc2ccc([N+](=O)[O-])cc2)[nH]nc1-c1ccncc1 ZINC000184753699 822686285 /nfs/dbraw/zinc/68/62/85/822686285.db2.gz SVLCRPGQWKFCAT-HNNXBMFYSA-N 0 1 393.447 4.150 20 5 GIBDMN CCOc1cccc2cc([C@@H](C)N[C@@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])oc21 ZINC000052712388 822808198 /nfs/dbraw/zinc/80/81/98/822808198.db2.gz BQXLLUOUKDEZGM-KGLIPLIRSA-N 0 1 397.431 4.418 20 5 GIBDMN CCOc1cccc2cc([C@H](C)N[C@@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])oc21 ZINC000052712389 822808269 /nfs/dbraw/zinc/80/82/69/822808269.db2.gz BQXLLUOUKDEZGM-KBPBESRZSA-N 0 1 397.431 4.418 20 5 GIBDMN CCc1[nH]nc(C(=O)N2CCC(c3c(Cl)cccc3Cl)CC2)c1[N+](=O)[O-] ZINC000570253575 823019785 /nfs/dbraw/zinc/01/97/85/823019785.db2.gz KVDKPQSEQDRJCW-UHFFFAOYSA-N 0 1 397.262 4.207 20 5 GIBDMN COc1ccc(-c2ccc(CN[C@@H](CCCO)c3ccccc3)o2)c([N+](=O)[O-])c1 ZINC000124371835 823591159 /nfs/dbraw/zinc/59/11/59/823591159.db2.gz NQBRXUWSPZGKDS-FQEVSTJZSA-N 0 1 396.443 4.467 20 5 GIBDMN COc1ccc(NC(=O)[C@H](C)N[C@H](C)c2cc3ccccc3o2)c([N+](=O)[O-])c1 ZINC000190624830 823592851 /nfs/dbraw/zinc/59/28/51/823592851.db2.gz VKZUXBLWZSURGX-OLZOCXBDSA-N 0 1 383.404 4.027 20 5 GIBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H]1c1nc2ccc(C)cc2[nH]1 ZINC000061733065 823609822 /nfs/dbraw/zinc/60/98/22/823609822.db2.gz KVSGHHABXJOWMR-QGZVFWFLSA-N 0 1 395.419 4.157 20 5 GIBDMN C[C@H](N[C@@H]1C[C@H](OC(C)(C)C)C1(C)C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000412062176 823625100 /nfs/dbraw/zinc/62/51/00/823625100.db2.gz BSHNUGZCLSQBEB-MAZHCROVSA-N 0 1 388.468 4.278 20 5 GIBDMN CC(C)c1[nH]nc(C(=O)N2CC[C@H](Cc3ccc(C(C)C)cc3)C2)c1[N+](=O)[O-] ZINC000461701920 823683964 /nfs/dbraw/zinc/68/39/64/823683964.db2.gz NQVREKPZDCYCKP-MRXNPFEDSA-N 0 1 384.480 4.270 20 5 GIBDMN C[C@H](N[C@@H](C)c1ccc(OC(F)(F)F)cc1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000125770374 823706629 /nfs/dbraw/zinc/70/66/29/823706629.db2.gz LOCZYFOGEWUNNQ-RYUDHWBXSA-N 0 1 397.353 4.171 20 5 GIBDMN C[C@@](O)(CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1)C1CCCCC1 ZINC000191674782 823729266 /nfs/dbraw/zinc/72/92/66/823729266.db2.gz JLTTYYIYAHPJIA-LJQANCHMSA-N 0 1 375.494 4.139 20 5 GIBDMN COc1ccc2c(CN(Cc3ccc([N+](=O)[O-])cc3)C(C)C)cc(=O)oc2c1 ZINC000064350411 823799005 /nfs/dbraw/zinc/79/90/05/823799005.db2.gz PWJJLZUWIUAARA-UHFFFAOYSA-N 0 1 382.416 4.120 20 5 GIBDMN Cc1ccc2nc([C@H]3CCCN(C(=O)[C@@H](C)c4cccc([N+](=O)[O-])c4)C3)[nH]c2c1 ZINC000574825578 823834896 /nfs/dbraw/zinc/83/48/96/823834896.db2.gz UJJBUFOODCSZLR-RDJZCZTQSA-N 0 1 392.459 4.289 20 5 GIBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)[C@H](C)c1cc(F)ccc1F ZINC000165186537 823838608 /nfs/dbraw/zinc/83/86/08/823838608.db2.gz HOZDLRVPECFYLW-CYBMUJFWSA-N 0 1 377.391 4.203 20 5 GIBDMN CC[C@H](N[C@H](C)c1cccc([N+](=O)[O-])c1C)c1ccccc1OCC(=O)N(C)C ZINC000165689916 823859534 /nfs/dbraw/zinc/85/95/34/823859534.db2.gz LCLQGTOHWQXQBM-APWZRJJASA-N 0 1 399.491 4.172 20 5 GIBDMN COc1ccc([C@@H](CO)N(C)Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000126411756 823860527 /nfs/dbraw/zinc/86/05/27/823860527.db2.gz VPKQWTSZWPOATG-HXUWFJFHSA-N 0 1 382.416 4.029 20 5 GIBDMN COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000056196557 823100746 /nfs/dbraw/zinc/10/07/46/823100746.db2.gz VNLFZBBHRYQCNH-QWHCGFSZSA-N 0 1 391.855 4.243 20 5 GIBDMN C[C@@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000056197304 823101212 /nfs/dbraw/zinc/10/12/12/823101212.db2.gz MGWVANTWDFABEV-VXGBXAGGSA-N 0 1 381.354 4.291 20 5 GIBDMN C[C@@H](N[C@@H](C)CCCc1cccnc1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000459646810 823237848 /nfs/dbraw/zinc/23/78/48/823237848.db2.gz SRAYVABCGITPNM-LSDHHAIUSA-N 0 1 381.436 4.102 20 5 GIBDMN Cc1cccc([N+](=O)[O-])c1NC(=O)CSc1nc2ccc(Cl)cc2[nH]1 ZINC000004406646 817524683 /nfs/dbraw/zinc/52/46/83/817524683.db2.gz BHYJIPAWIWCGIL-UHFFFAOYSA-N 0 1 376.825 4.164 20 5 GIBDMN Cc1ccc2nc(SCC(=O)Nc3cc(Cl)ccc3[N+](=O)[O-])[nH]c2c1 ZINC000006292057 817673992 /nfs/dbraw/zinc/67/39/92/817673992.db2.gz IIFQJDKIMBLNIM-UHFFFAOYSA-N 0 1 376.825 4.164 20 5 GIBDMN O=C(CCN1CCC[C@@H]1c1nc2ccccc2s1)Nc1ccc([N+](=O)[O-])cc1 ZINC000121947397 823282769 /nfs/dbraw/zinc/28/27/69/823282769.db2.gz MRWPYIHPJGPAMX-QGZVFWFLSA-N 0 1 396.472 4.370 20 5 GIBDMN O=C(CCN1CCC[C@@H]1c1nc2ccccc2s1)Nc1ccccc1[N+](=O)[O-] ZINC000122052002 823299186 /nfs/dbraw/zinc/29/91/86/823299186.db2.gz OTIZAXKMAZCBOP-QGZVFWFLSA-N 0 1 396.472 4.370 20 5 GIBDMN Cc1ccc(C(=O)NC[C@H](c2cccs2)N2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000018186141 818555275 /nfs/dbraw/zinc/55/52/75/818555275.db2.gz LSVWVHPBFZNFBU-GOSISDBHSA-N 0 1 387.505 4.168 20 5 GIBDMN C[C@@H](NCc1csc([N+](=O)[O-])c1)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000122768585 823409056 /nfs/dbraw/zinc/40/90/56/823409056.db2.gz RSGDTMNHIXEHPG-AUUYWEPGSA-N 0 1 376.478 4.071 20 5 GIBDMN C[C@H](N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccc(C(F)(F)F)cc1 ZINC000573047126 823439928 /nfs/dbraw/zinc/43/99/28/823439928.db2.gz ANANNMBFJSOKKG-SJCJKPOMSA-N 0 1 393.365 4.070 20 5 GIBDMN CN(Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)CC12CC3CC(CC(C3)C1)C2 ZINC000027782519 820286765 /nfs/dbraw/zinc/28/67/65/820286765.db2.gz SOYLYOLJTHWDAD-UHFFFAOYSA-N 0 1 382.464 4.293 20 5 GIBDMN COc1ccc(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)c(OC)n1 ZINC000573291280 823476682 /nfs/dbraw/zinc/47/66/82/823476682.db2.gz KNTXZJKUYTWTEH-UHFFFAOYSA-N 0 1 385.445 4.025 20 5 GIBDMN Cc1ncc(-c2ccc(NS(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2)o1 ZINC000029433144 820454360 /nfs/dbraw/zinc/45/43/60/820454360.db2.gz QCCUQMUJRXSSKK-UHFFFAOYSA-N 0 1 393.808 4.012 20 5 GIBDMN CC[C@@](C)(O)CN(Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)Cc1ccccc1 ZINC000189739093 823485187 /nfs/dbraw/zinc/48/51/87/823485187.db2.gz HHTFRWVADJVZEC-JOCHJYFZSA-N 0 1 395.459 4.413 20 5 GIBDMN Cc1cc(C)c(NC(=O)CN[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(Cl)c1 ZINC000181842134 822014512 /nfs/dbraw/zinc/01/45/12/822014512.db2.gz WFQLVNQQMVHSTF-AWEZNQCLSA-N 0 1 375.856 4.463 20 5 GIBDMN CC(C)[C@H](NCc1ccc(C(N)=O)cc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000181889199 822027971 /nfs/dbraw/zinc/02/79/71/822027971.db2.gz KTYHLKGCSCUHCQ-KRWDZBQOSA-N 0 1 395.381 4.199 20 5 GIBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC(NC(=O)NC2CCCCC2)CC1 ZINC000182861115 822381179 /nfs/dbraw/zinc/38/11/79/822381179.db2.gz DCZVYHHBEDYLIU-INIZCTEOSA-N 0 1 388.512 4.061 20 5 GIBDMN C[C@@H](NCc1ccc(OCCOc2ccccc2)nc1)c1ccc([N+](=O)[O-])cc1 ZINC000178647559 822399339 /nfs/dbraw/zinc/39/93/39/822399339.db2.gz XPTROPQMMDFQNL-QGZVFWFLSA-N 0 1 393.443 4.298 20 5 GIBDMN Cc1ccc([C@H](C)N[C@H](C)C(=O)Nc2cccc3ncccc32)cc1[N+](=O)[O-] ZINC000178682220 822402478 /nfs/dbraw/zinc/40/24/78/822402478.db2.gz SPZWYTNGHOHARV-LSDHHAIUSA-N 0 1 378.432 4.129 20 5 GIBDMN CCOc1ccc([C@H](C)NCc2cn(-c3ccccc3)nc2C)cc1[N+](=O)[O-] ZINC000183201382 822440565 /nfs/dbraw/zinc/44/05/65/822440565.db2.gz OLVGTENUMNJGBG-HNNXBMFYSA-N 0 1 380.448 4.338 20 5 GIBDMN COc1ccc(NC(=O)[C@H](C)N[C@@H](C)c2oc3ccccc3c2C)c([N+](=O)[O-])c1 ZINC000183593465 822498627 /nfs/dbraw/zinc/49/86/27/822498627.db2.gz MRUNUGYRVUIGJX-KBPBESRZSA-N 0 1 397.431 4.336 20 5 GIBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@H](C)c1ccc(F)cc1Cl ZINC000179563563 822504075 /nfs/dbraw/zinc/50/40/75/822504075.db2.gz YHWIUFWQLMBYFU-LLVKDONJSA-N 0 1 395.818 4.075 20 5 GIBDMN CC[C@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1C)c1ccccc1OC(F)F ZINC000179718841 822534512 /nfs/dbraw/zinc/53/45/12/822534512.db2.gz AGTFTMUDDUSZOL-HNNXBMFYSA-N 0 1 393.390 4.184 20 5 GIBDMN O=C(Nc1ccccc1-c1nc(-c2ccccc2)n[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000047371764 822571688 /nfs/dbraw/zinc/57/16/88/822571688.db2.gz LEIPDVJWKJWKNQ-UHFFFAOYSA-N 0 1 385.383 4.299 20 5 GIBDMN COc1ccc2oc([C@@H](C)N[C@@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])c(C)c2c1 ZINC000184324990 822615292 /nfs/dbraw/zinc/61/52/92/822615292.db2.gz YHLUBIKFNQGLDN-KGLIPLIRSA-N 0 1 397.431 4.336 20 5 GIBDMN Cc1ccc(NC(=O)C[C@@H](C)NCc2ccc([N+](=O)[O-])cc2Cl)c(C)c1 ZINC000184664725 822672601 /nfs/dbraw/zinc/67/26/01/822672601.db2.gz IHBDPFYATHWFLH-CQSZACIVSA-N 0 1 375.856 4.372 20 5 GIBDMN C[C@H](NCc1ccc([N+](=O)[O-])cc1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000180417843 822678186 /nfs/dbraw/zinc/67/81/86/822678186.db2.gz CNIZOXJQLJURLB-HNNXBMFYSA-N 0 1 388.489 4.162 20 5 GIBDMN C[C@@H](NCc1ccc([N+](=O)[O-])cc1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000180417859 822678209 /nfs/dbraw/zinc/67/82/09/822678209.db2.gz CNIZOXJQLJURLB-OAHLLOKOSA-N 0 1 388.489 4.162 20 5 GIBDMN C[C@H](NCc1ccccc1[N+](=O)[O-])c1ccc(I)cc1 ZINC000050015592 822713915 /nfs/dbraw/zinc/71/39/15/822713915.db2.gz CSLANVPHYUMMEP-NSHDSACASA-N 0 1 382.201 4.050 20 5 GIBDMN CC(=O)N1CC[C@H](NCc2ccc(C(C)C)c([N+](=O)[O-])c2)c2ccc(F)cc2C1 ZINC000185357005 822770701 /nfs/dbraw/zinc/77/07/01/822770701.db2.gz JDWMXBPHCMEWHH-NRFANRHFSA-N 0 1 399.466 4.440 20 5 GIBDMN CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCc2[nH]c(C(C)C)nc2C1 ZINC000456160299 822785365 /nfs/dbraw/zinc/78/53/65/822785365.db2.gz HNKNUSWLERYOAM-CYBMUJFWSA-N 0 1 385.468 4.005 20 5 GIBDMN Cc1csc(C2(NCCC(=O)Nc3cc([N+](=O)[O-])ccc3C)CCCC2)n1 ZINC000175019147 822868395 /nfs/dbraw/zinc/86/83/95/822868395.db2.gz XBYNBXDMWWMMII-UHFFFAOYSA-N 0 1 388.493 4.056 20 5 GIBDMN CCSc1cccc(F)c1NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000569178411 822889288 /nfs/dbraw/zinc/88/92/88/822889288.db2.gz VSEOZEVAIVPAGP-UHFFFAOYSA-N 0 1 390.845 4.300 20 5 GIBDMN Cc1c(NC(=O)[C@H](C)N[C@H](C)c2ccccc2OC(C)C)cccc1[N+](=O)[O-] ZINC000055151860 822941018 /nfs/dbraw/zinc/94/10/18/822941018.db2.gz NLLXPNMNSUEPAK-CVEARBPZSA-N 0 1 385.464 4.368 20 5 GIBDMN CC(C)c1ccc(CN(Cc2ccc(-n3cncn3)cc2)C2CC2)cc1[N+](=O)[O-] ZINC000569829842 822973739 /nfs/dbraw/zinc/97/37/39/822973739.db2.gz PQWPJIAGHUOXEV-UHFFFAOYSA-N 0 1 391.475 4.464 20 5 GIBDMN CC(C)Nc1cccc(F)c1NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000124953752 823640037 /nfs/dbraw/zinc/64/00/37/823640037.db2.gz LSFXMDWKQCILAV-UHFFFAOYSA-N 0 1 387.820 4.008 20 5 GIBDMN O=[N+]([O-])c1cccc([C@@H](O)CN(Cc2csc(Br)c2)C2CC2)c1 ZINC000125222704 823660256 /nfs/dbraw/zinc/66/02/56/823660256.db2.gz NGEJVGVIRZYVJT-HNNXBMFYSA-N 0 1 397.294 4.117 20 5 GIBDMN Cc1ccc(CN[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(-n2cc(Cl)cn2)n1 ZINC000191528249 823695748 /nfs/dbraw/zinc/69/57/48/823695748.db2.gz FNEOKIJUHKLTEF-AWEZNQCLSA-N 0 1 385.855 4.297 20 5 GIBDMN O=[N+]([O-])c1cnc(N2CCCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)c(F)c1 ZINC000413372883 823762581 /nfs/dbraw/zinc/76/25/81/823762581.db2.gz GIHJKSGGFGWSCU-OAHLLOKOSA-N 0 1 375.791 4.390 20 5 GIBDMN O=[N+]([O-])c1ccc(CN[C@@H]2CCCOc3cc(Br)ccc32)cc1 ZINC000126058983 823777425 /nfs/dbraw/zinc/77/74/25/823777425.db2.gz WKYFMBSUYITEHE-MRXNPFEDSA-N 0 1 377.238 4.361 20 5 GIBDMN CC[C@H](N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccccc1OCC(=O)N(C)C ZINC000165683843 823858465 /nfs/dbraw/zinc/85/84/65/823858465.db2.gz YLSMJVPTGIJGMX-LPHOPBHVSA-N 0 1 399.491 4.172 20 5 GIBDMN COc1ccc([C@@H](CO)N(C)Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 ZINC000126420885 823862356 /nfs/dbraw/zinc/86/23/56/823862356.db2.gz XRIGNAHCWDKUPX-HXUWFJFHSA-N 0 1 382.416 4.029 20 5 GIBDMN Cc1ccc(CN[C@@H](C)c2cccc([N+](=O)[O-])c2C)c(OC[C@H]2CCOC2)c1 ZINC000167191915 823888236 /nfs/dbraw/zinc/88/82/36/823888236.db2.gz HVPYWDSMCQXDJF-ROUUACIJSA-N 0 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CC(C)(CO)[C@H](NCc1cc([N+](=O)[O-])ccc1C(F)(F)F)c1ccccc1 ZINC000570585770 823057859 /nfs/dbraw/zinc/05/78/59/823057859.db2.gz NRGFCINSXWRANM-QGZVFWFLSA-N 0 1 382.382 4.463 20 5 GIBDMN Cc1c(NC(=O)[C@H](C)N[C@@H](C)c2ccc(OC(C)C)cc2)cccc1[N+](=O)[O-] ZINC000056163517 823093766 /nfs/dbraw/zinc/09/37/66/823093766.db2.gz QMIFOMPIZOURMZ-HOTGVXAUSA-N 0 1 385.464 4.368 20 5 GIBDMN C[C@@H](N[C@@H](C)C(=O)Nc1ccc(C(F)(F)F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000056197298 823101060 /nfs/dbraw/zinc/10/10/60/823101060.db2.gz MGWVANTWDFABEV-NEPJUHHUSA-N 0 1 381.354 4.291 20 5 GIBDMN COc1cc(Cl)c(NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1C ZINC000570961833 823112558 /nfs/dbraw/zinc/11/25/58/823112558.db2.gz RYAFXYOGJALNMN-UHFFFAOYSA-N 0 1 391.232 4.019 20 5 GIBDMN CCN(C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)[C@H](C)c1cc2ccccc2o1 ZINC000056278134 823119731 /nfs/dbraw/zinc/11/97/31/823119731.db2.gz OMPOEGSFQRWNDU-GFCCVEGCSA-N 0 1 378.388 4.441 20 5 GIBDMN CC(C)[N@@H+](CCOc1ccc(C(=O)[O-])cc1Cl)Cc1ccc([N+](=O)[O-])cc1 ZINC000571409623 823178769 /nfs/dbraw/zinc/17/87/69/823178769.db2.gz JUBLDQUPQXMLON-UHFFFAOYSA-N 0 1 392.839 4.236 20 5 GIBDMN O=[N+]([O-])c1ccc(CNCc2cn(C3CCCC3)nc2-c2ccccn2)cc1 ZINC000459468888 823198863 /nfs/dbraw/zinc/19/88/63/823198863.db2.gz SAMILVCPTNSNDM-UHFFFAOYSA-N 0 1 377.448 4.258 20 5 GIBDMN O=[N+]([O-])c1cccc(-c2nc(CN3CC[C@@H](O)[C@H](C4CCCC4)C3)cs2)c1 ZINC000459771164 823262945 /nfs/dbraw/zinc/26/29/45/823262945.db2.gz SSYBGDTVIVOXLU-RBUKOAKNSA-N 0 1 387.505 4.091 20 5 GIBDMN C[C@@H](Sc1nc2ccc(Cl)cc2[nH]1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000006506393 817698702 /nfs/dbraw/zinc/69/87/02/817698702.db2.gz SDKARFAKYXOISB-SECBINFHSA-N 0 1 376.825 4.244 20 5 GIBDMN CC(C)c1[nH]nc(C(=O)N2CCC(F)(c3ccc(Cl)cc3)CC2)c1[N+](=O)[O-] ZINC000410202919 823418686 /nfs/dbraw/zinc/41/86/86/823418686.db2.gz AZQMOLRIDGSGRU-UHFFFAOYSA-N 0 1 394.834 4.196 20 5 GIBDMN COc1cc(C(=O)Nc2ccccc2-c2nnc(C(C)C)[nH]2)cc([N+](=O)[O-])c1C ZINC000189900375 823511802 /nfs/dbraw/zinc/51/18/02/823511802.db2.gz FQQDISFCLLXWHS-UHFFFAOYSA-N 0 1 395.419 4.073 20 5 GIBDMN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H](NCCc1ccco1)c1ccccc1 ZINC000043303829 821388886 /nfs/dbraw/zinc/38/88/86/821388886.db2.gz YJWQNEVHVAIURH-IBGZPJMESA-N 0 1 399.834 4.353 20 5 GIBDMN CO[C@@H]1CC[C@H]2OCCN(Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)[C@@H]2C1 ZINC000180814541 821475215 /nfs/dbraw/zinc/47/52/15/821475215.db2.gz GLOWJXZPROKMQZ-NIKGAXFTSA-N 0 1 388.489 4.092 20 5 GIBDMN C[C@@H](N[C@H](C)c1ccc(-c2ccncc2)cc1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000180924931 821541130 /nfs/dbraw/zinc/54/11/30/821541130.db2.gz COCJXKIVBRHKKR-HZPDHXFCSA-N 0 1 390.443 4.335 20 5 GIBDMN COc1ccc(Cl)cc1NC(=O)[C@H](C)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000178683136 822402710 /nfs/dbraw/zinc/40/27/10/822402710.db2.gz UWLQFXRYWSFBSV-OLZOCXBDSA-N 0 1 391.855 4.243 20 5 GIBDMN Cc1ccc([C@H](C)N[C@@H](CC(C)C)C(=O)Nc2nccs2)cc1[N+](=O)[O-] ZINC000179599567 822510255 /nfs/dbraw/zinc/51/02/55/822510255.db2.gz PAVBSYRIOXCZCI-ZFWWWQNUSA-N 0 1 376.482 4.064 20 5 GIBDMN COc1ccc(NC(=O)CCN[C@H](C)c2ccc(F)cc2Cl)c([N+](=O)[O-])c1 ZINC000183782702 822527896 /nfs/dbraw/zinc/52/78/96/822527896.db2.gz IURQYUJFMQCICB-LLVKDONJSA-N 0 1 395.818 4.075 20 5 GIBDMN COc1cc(CN[C@@H](C)c2ccc(-n3ccnc3C)cc2)c([N+](=O)[O-])cc1F ZINC000184310486 822612381 /nfs/dbraw/zinc/61/23/81/822612381.db2.gz PASQAJCTCKCHDC-ZDUSSCGKSA-N 0 1 384.411 4.087 20 5 GIBDMN Cc1ccc([N+](=O)[O-])c(C)c1NS(=O)(=O)c1cccc(Cl)c1Cl ZINC000180161615 822629775 /nfs/dbraw/zinc/62/97/75/822629775.db2.gz YRNYQFZQALYYQG-UHFFFAOYSA-N 0 1 375.233 4.319 20 5 GIBDMN CCOc1ccc([C@H]2CCCN2C(=O)CN[C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000180433280 822680941 /nfs/dbraw/zinc/68/09/41/822680941.db2.gz PKZMYHZESIBCTL-IIBYNOLFSA-N 0 1 397.475 4.008 20 5 GIBDMN O=C(Nc1cc([N+](=O)[O-])c(F)cc1F)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000175099690 822882120 /nfs/dbraw/zinc/88/21/20/822882120.db2.gz CCMUHEOYGQWKNP-UHFFFAOYSA-N 0 1 391.208 4.052 20 5 GIBDMN Cc1ccc(NC(=O)N2CCC[C@H]2c2n[nH]c(-c3ccccc3)n2)cc1[N+](=O)[O-] ZINC000125002697 823643975 /nfs/dbraw/zinc/64/39/75/823643975.db2.gz PZCHLEFTCYRAFI-INIZCTEOSA-N 0 1 392.419 4.057 20 5 GIBDMN Cc1ccc(NC(=O)N2CCC[C@H]2c2nc(-c3ccccc3)n[nH]2)cc1[N+](=O)[O-] ZINC000125002697 823643976 /nfs/dbraw/zinc/64/39/76/823643976.db2.gz PZCHLEFTCYRAFI-INIZCTEOSA-N 0 1 392.419 4.057 20 5 GIBDMN O=C(N[C@@H](c1ccc(Cl)cc1)c1ccccc1Cl)c1n[nH]cc1[N+](=O)[O-] ZINC000163494690 823715418 /nfs/dbraw/zinc/71/54/18/823715418.db2.gz VLNGTXASZNJXNA-HNNXBMFYSA-N 0 1 391.214 4.144 20 5 GIBDMN COc1cc(CN[C@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)c([N+](=O)[O-])cc1F ZINC000192085955 823855040 /nfs/dbraw/zinc/85/50/40/823855040.db2.gz GRBVFJXEHSLSTL-MAUKXSAKSA-N 0 1 398.793 4.155 20 5 GIBDMN Cc1cc(C(=O)Nc2cc(CN3CCSCC3)ccc2C)cc([N+](=O)[O-])c1 ZINC000126471055 823876703 /nfs/dbraw/zinc/87/67/03/823876703.db2.gz UPRMRYBVDFSZPD-UHFFFAOYSA-N 0 1 385.489 4.013 20 5 GIBDMN CC1(C)C[C@@H](N[C@H]2c3sccc3OC(C)(C)[C@@H]2O)c2cc([N+](=O)[O-])ccc21 ZINC000414165862 823921776 /nfs/dbraw/zinc/92/17/76/823921776.db2.gz CXASLNGLSKIDAM-UWWQBHOKSA-N 0 1 388.489 4.242 20 5 GIBDMN CCS(=O)(=O)c1cc(Cl)cc(CN[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000414211852 823929529 /nfs/dbraw/zinc/92/95/29/823929529.db2.gz PMDBYCXNYHKAAO-ZDUSSCGKSA-N 0 1 396.896 4.201 20 5 GIBDMN Cc1[nH]ncc1CNC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000170850565 823990366 /nfs/dbraw/zinc/99/03/66/823990366.db2.gz QGACPBGTWOTWML-UHFFFAOYSA-N 0 1 386.795 4.002 20 5 GIBDMN Nc1ccc2c(c1)CCC[C@H]2NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000414922585 824050672 /nfs/dbraw/zinc/05/06/72/824050672.db2.gz GETWUNRVBHKODD-LJQANCHMSA-N 0 1 380.473 4.468 20 5 GIBDMN COc1cc(CN[C@H](c2ccccc2)C2(CO)CCCC2)c([N+](=O)[O-])cc1F ZINC000459529724 823212814 /nfs/dbraw/zinc/21/28/14/823212814.db2.gz CRXRQFCSBVHARP-HXUWFJFHSA-N 0 1 388.439 4.126 20 5 GIBDMN O=[N+]([O-])c1cc(Cl)c(NC2CCN(Cc3ccccn3)CC2)c(Cl)c1 ZINC000121734422 823239665 /nfs/dbraw/zinc/23/96/65/823239665.db2.gz ZDLOVOKDYMOSIA-UHFFFAOYSA-N 0 1 381.263 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ZINC000016130111 818395771 /nfs/dbraw/zinc/39/57/71/818395771.db2.gz RRKZJUYPASBBSX-UHFFFAOYSA-N 0 1 398.721 4.207 20 5 GIBDMN C[C@@H](NC(c1ccccc1)c1ccccc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000016483780 818448334 /nfs/dbraw/zinc/44/83/34/818448334.db2.gz KBYDWTQFDLAXJJ-MRXNPFEDSA-N 0 1 375.428 4.301 20 5 GIBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@H](C)c1ccccc1SC ZINC000409903173 823340257 /nfs/dbraw/zinc/34/02/57/823340257.db2.gz ZEEVJQVYTGIVJO-OLZOCXBDSA-N 0 1 389.477 4.003 20 5 GIBDMN Cc1c(CC(=O)Nc2ccc3nc(-c4ccccn4)[nH]c3c2)cccc1[N+](=O)[O-] ZINC000122424056 823352268 /nfs/dbraw/zinc/35/22/68/823352268.db2.gz NLFILIRHGSGZGK-UHFFFAOYSA-N 0 1 387.399 4.023 20 5 GIBDMN O=C(CN1CCCCCC1)Nc1ccc(NCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000122493633 823362994 /nfs/dbraw/zinc/36/29/94/823362994.db2.gz OSBJLDDVUXWOEV-UHFFFAOYSA-N 0 1 382.464 4.021 20 5 GIBDMN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccccc2SCC(F)(F)F)cc1 ZINC000022408392 818802589 /nfs/dbraw/zinc/80/25/89/818802589.db2.gz 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O=[N+]([O-])c1cccc([C@@H](N[C@H]2CCN(c3ncccc3F)C2)c2ccccc2)c1 ZINC000180748539 821432413 /nfs/dbraw/zinc/43/24/13/821432413.db2.gz RZZMIBCNAINKJQ-RXVVDRJESA-N 0 1 392.434 4.087 20 5 GIBDMN O=C(C1CCCC1)N1CC[C@H](N[C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)C1 ZINC000180781670 821454667 /nfs/dbraw/zinc/45/46/67/821454667.db2.gz CJSRICZYHQRTTR-RBBKRZOGSA-N 0 1 393.487 4.065 20 5 GIBDMN CCn1c2ccccc2nc1[C@@H](C)N[C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000180993224 821580264 /nfs/dbraw/zinc/58/02/64/821580264.db2.gz FQPWJMJVLHJAQL-HUUCEWRRSA-N 0 1 395.463 4.032 20 5 GIBDMN CCn1c2ccccc2nc1[C@H](C)N[C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000180993205 821580542 /nfs/dbraw/zinc/58/05/42/821580542.db2.gz FQPWJMJVLHJAQL-GJZGRUSLSA-N 0 1 395.463 4.032 20 5 GIBDMN C[C@H](NCc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(N2CCOC2=O)cc1 ZINC000181274936 821728260 /nfs/dbraw/zinc/72/82/60/821728260.db2.gz AGRSKLHLTWTMCW-LBPRGKRZSA-N 0 1 375.812 4.056 20 5 GIBDMN Cc1ccc([C@@H](C)NCC(=O)Nc2ccccc2C(F)(F)F)cc1[N+](=O)[O-] ZINC000181832127 822010858 /nfs/dbraw/zinc/01/08/58/822010858.db2.gz UVWKHZPFJPQTHO-GFCCVEGCSA-N 0 1 381.354 4.211 20 5 GIBDMN Cc1ccc([C@H](C)NCC(=O)N[C@@H](C)c2ccccc2Cl)cc1[N+](=O)[O-] ZINC000181839791 822013819 /nfs/dbraw/zinc/01/38/19/822013819.db2.gz LDQYVXWLMWBSBG-KBPBESRZSA-N 0 1 375.856 4.085 20 5 GIBDMN Cc1cc(C)c(NC(=O)CN[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(Cl)c1 ZINC000181842113 822014615 /nfs/dbraw/zinc/01/46/15/822014615.db2.gz WFQLVNQQMVHSTF-CQSZACIVSA-N 0 1 375.856 4.463 20 5 GIBDMN COc1cc(CN[C@H](c2ccccc2)C2CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000182826664 822373719 /nfs/dbraw/zinc/37/37/19/822373719.db2.gz OLSSSFBSNQUGAB-HXUWFJFHSA-N 0 1 392.402 4.488 20 5 GIBDMN COc1cc(CN[C@@H](c2ccccc2)C2CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000182826644 822373731 /nfs/dbraw/zinc/37/37/31/822373731.db2.gz OLSSSFBSNQUGAB-FQEVSTJZSA-N 0 1 392.402 4.488 20 5 GIBDMN Cc1ccc(C[C@@H](CO)NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1C ZINC000453623282 822394753 /nfs/dbraw/zinc/39/47/53/822394753.db2.gz JJWUOGVUWFXPBJ-SFHVURJKSA-N 0 1 397.500 4.028 20 5 GIBDMN C[C@@H](NCc1cccc(NC(=O)c2ccncc2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000178648452 822399449 /nfs/dbraw/zinc/39/94/49/822399449.db2.gz BLCYYGRCXZIPHC-OAHLLOKOSA-N 0 1 376.416 4.093 20 5 GIBDMN Cc1cc(C[C@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)n[nH]1 ZINC000178759357 822407671 /nfs/dbraw/zinc/40/76/71/822407671.db2.gz BVHILVNITCJGEW-ZDUSSCGKSA-N 0 1 396.472 4.139 20 5 GIBDMN C[C@@H](C(=O)Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1)c1ccc([N+](=O)[O-])cc1F ZINC000183243184 822447593 /nfs/dbraw/zinc/44/75/93/822447593.db2.gz SMDBEQUVHPHSSC-ADLMAVQZSA-N 0 1 398.394 4.204 20 5 GIBDMN CCOc1ccc([C@@H](C)NCc2ccc(NC(=O)C(C)C)cc2)cc1[N+](=O)[O-] ZINC000179395326 822476631 /nfs/dbraw/zinc/47/66/31/822476631.db2.gz MFMJTJAWKGHSAY-OAHLLOKOSA-N 0 1 385.464 4.439 20 5 GIBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@@H](C)c1oc2ccccc2c1C ZINC000183629285 822503377 /nfs/dbraw/zinc/50/33/77/822503377.db2.gz QHQFBKMBMWJGJT-KBPBESRZSA-N 0 1 397.431 4.336 20 5 GIBDMN COc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2Sc2cccs2)on1 ZINC000184081835 822575164 /nfs/dbraw/zinc/57/51/64/822575164.db2.gz ONMDSEITHISWME-UHFFFAOYSA-N 0 1 377.403 4.056 20 5 GIBDMN COc1cc(CN(Cc2ccccc2)CC2CCOCC2)c([N+](=O)[O-])cc1F ZINC000184212998 822597064 /nfs/dbraw/zinc/59/70/64/822597064.db2.gz IKNUUVFUVQXAAV-UHFFFAOYSA-N 0 1 388.439 4.171 20 5 GIBDMN Cc1cccc(S(=O)(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)c1Br ZINC000180161702 822629805 /nfs/dbraw/zinc/62/98/05/822629805.db2.gz AIAUXZLEWIFXCM-UHFFFAOYSA-N 0 1 399.266 4.083 20 5 GIBDMN C[C@H](NCCC(=O)Nc1ccccc1[N+](=O)[O-])c1nc(-c2ccccc2)cs1 ZINC000184535196 822652988 /nfs/dbraw/zinc/65/29/88/822652988.db2.gz MHJSEQYZKCZNCF-AWEZNQCLSA-N 0 1 396.472 4.398 20 5 GIBDMN O=C(CCN[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)N1CCCCCC1 ZINC000180344996 822667102 /nfs/dbraw/zinc/66/71/02/822667102.db2.gz QRDCTSNDVWEKRR-JOCHJYFZSA-N 0 1 381.476 4.067 20 5 GIBDMN CCOc1cccc2cc([C@H](C)NCC(=O)Nc3cc([N+](=O)[O-])ccc3C)oc21 ZINC000180357082 822669658 /nfs/dbraw/zinc/66/96/58/822669658.db2.gz HQWKLMMLAIRZLG-AWEZNQCLSA-N 0 1 397.431 4.337 20 5 GIBDMN Cc1nc(-c2cccc(NC(=O)CN[C@@H](C)c3cccc([N+](=O)[O-])c3)c2)cs1 ZINC000180397304 822675382 /nfs/dbraw/zinc/67/53/82/822675382.db2.gz HCJSFEHXNGAYQH-ZDUSSCGKSA-N 0 1 396.472 4.316 20 5 GIBDMN O=[N+]([O-])c1ccc(CN[C@H]2CCCOc3ccc(Br)cc32)cc1 ZINC000180416856 822678063 /nfs/dbraw/zinc/67/80/63/822678063.db2.gz CUGQMJBOEVFGOP-INIZCTEOSA-N 0 1 377.238 4.361 20 5 GIBDMN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N(C)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000051133492 822747811 /nfs/dbraw/zinc/74/78/11/822747811.db2.gz VYQOMFSMLDECPH-PLMTUMEDSA-N 0 1 397.475 4.022 20 5 GIBDMN O=[N+]([O-])c1cc(CNC2(c3ccc(Br)cc3)CCOCC2)cs1 ZINC000052833954 822812601 /nfs/dbraw/zinc/81/26/01/822812601.db2.gz LDWYYRQCDABYAE-UHFFFAOYSA-N 0 1 397.294 4.214 20 5 GIBDMN COc1ccc(CN(CC(=O)Nc2c(C)cccc2[N+](=O)[O-])[C@@H](C)C2CC2)cc1 ZINC000053098041 822821617 /nfs/dbraw/zinc/82/16/17/822821617.db2.gz KPCHSXUNWVGYIO-INIZCTEOSA-N 0 1 397.475 4.151 20 5 GIBDMN CC[C@H](NCCOc1ccccc1[N+](=O)[O-])c1nc(C(F)(F)F)cs1 ZINC000185956882 822837201 /nfs/dbraw/zinc/83/72/01/822837201.db2.gz FPAYKTWDUUZVSC-JTQLQIEISA-N 0 1 375.372 4.190 20 5 GIBDMN CN(Cc1ccc(Cl)cc1[N+](=O)[O-])C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000174828212 822842658 /nfs/dbraw/zinc/84/26/58/822842658.db2.gz VUZFLZFBGYFRGR-UHFFFAOYSA-N 0 1 383.876 4.080 20 5 GIBDMN C[C@@H](N[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])c1cccc(OC(F)(F)F)c1 ZINC000175705317 823024306 /nfs/dbraw/zinc/02/43/06/823024306.db2.gz KJRIUPGBHOGHPA-NEPJUHHUSA-N 0 1 397.353 4.171 20 5 GIBDMN Cc1ccc2nc([C@@H]3CCCN3C(=O)[C@@H](C)c3cccc([N+](=O)[O-])c3)[nH]c2c1 ZINC000570464554 823041101 /nfs/dbraw/zinc/04/11/01/823041101.db2.gz PQGMXMNZKSOULK-LIRRHRJNSA-N 0 1 378.432 4.247 20 5 GIBDMN Cc1ccc(CNC(=O)c2cccc(CNCc3ccc([N+](=O)[O-])cc3)c2)cc1 ZINC000060979093 823570935 /nfs/dbraw/zinc/57/09/35/823570935.db2.gz KXONRTUKLCQYSU-UHFFFAOYSA-N 0 1 389.455 4.123 20 5 GIBDMN COc1cc(CNCc2cccc([N+](=O)[O-])c2)ccc1OCc1ccccc1 ZINC000061028812 823574029 /nfs/dbraw/zinc/57/40/29/823574029.db2.gz XXXDYISHTPCYGZ-UHFFFAOYSA-N 0 1 378.428 4.472 20 5 GIBDMN O=C(Nc1cccc([N+](=O)[O-])c1)NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000061743176 823611242 /nfs/dbraw/zinc/61/12/42/823611242.db2.gz QDYVJKFGDJHYBP-UHFFFAOYSA-N 0 1 388.855 4.034 20 5 GIBDMN Cc1cc(F)cc(C(=O)Nc2ccc3nc(-c4ccco4)[nH]c3c2)c1[N+](=O)[O-] ZINC000125363798 823670663 /nfs/dbraw/zinc/67/06/63/823670663.db2.gz ASJYGIFZLYYUMH-UHFFFAOYSA-N 0 1 380.335 4.431 20 5 GIBDMN Cc1cc(N2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461936478 823765148 /nfs/dbraw/zinc/76/51/48/823765148.db2.gz RGFGLWRLUWXBFM-LBPRGKRZSA-N 0 1 395.385 4.302 20 5 GIBDMN Cc1cc(N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461936478 823765154 /nfs/dbraw/zinc/76/51/54/823765154.db2.gz RGFGLWRLUWXBFM-LBPRGKRZSA-N 0 1 395.385 4.302 20 5 GIBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCc1cccc(C(=O)NCc2ccco2)c1 ZINC000165010067 823829729 /nfs/dbraw/zinc/82/97/29/823829729.db2.gz JGWLMNPYKZJHCN-INIZCTEOSA-N 0 1 393.443 4.277 20 5 GIBDMN COc1cc(CN[C@@H]2CCO[C@@H]2c2ccc(Cl)cc2)c([N+](=O)[O-])cc1F ZINC000192037326 823840060 /nfs/dbraw/zinc/84/00/60/823840060.db2.gz KXXNVUMAYMCZSD-CRAIPNDOSA-N 0 1 380.803 4.016 20 5 GIBDMN CC[C@@H](N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccccc1OCC(=O)N(C)C ZINC000165684237 823859003 /nfs/dbraw/zinc/85/90/03/823859003.db2.gz YLSMJVPTGIJGMX-VQIMIIECSA-N 0 1 399.491 4.172 20 5 GIBDMN Cc1ccc(CN[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(OC[C@H]2CCOC2)c1 ZINC000167183935 823888268 /nfs/dbraw/zinc/88/82/68/823888268.db2.gz UJHHOIGOEDTDKZ-MSOLQXFVSA-N 0 1 384.476 4.478 20 5 GIBDMN Cc1ccc([C@@H](C)N[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1F ZINC000126647425 823918768 /nfs/dbraw/zinc/91/87/68/823918768.db2.gz XMPCIXOOCUVNSK-NEPJUHHUSA-N 0 1 379.819 4.374 20 5 GIBDMN CC(C)(NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])c1cccs1 ZINC000462332906 823928233 /nfs/dbraw/zinc/92/82/33/823928233.db2.gz 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CCC[C@@H](NCC(=O)Nc1ccc(F)c(F)c1F)c1cccc([N+](=O)[O-])c1 ZINC000178202451 822351515 /nfs/dbraw/zinc/35/15/15/822351515.db2.gz BJYFWBDWKGFFIK-CQSZACIVSA-N 0 1 381.354 4.082 20 5 GIBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC(NC(=O)NC2CCCCC2)CC1 ZINC000182861096 822380979 /nfs/dbraw/zinc/38/09/79/822380979.db2.gz DCZVYHHBEDYLIU-MRXNPFEDSA-N 0 1 388.512 4.061 20 5 GIBDMN CCNC(=O)C(C)(C)NCc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000453598493 822391067 /nfs/dbraw/zinc/39/10/67/822391067.db2.gz AITQHNRJYZTGLJ-UHFFFAOYSA-N 0 1 391.855 4.045 20 5 GIBDMN C[C@H](NCc1ccc(OCCOc2ccccc2)nc1)c1ccc([N+](=O)[O-])cc1 ZINC000178647543 822399372 /nfs/dbraw/zinc/39/93/72/822399372.db2.gz XPTROPQMMDFQNL-KRWDZBQOSA-N 0 1 393.443 4.298 20 5 GIBDMN Cc1ccc([C@H](C)N[C@H](C)C(=O)Nc2ccccc2OC(F)F)cc1[N+](=O)[O-] ZINC000178679690 822402173 /nfs/dbraw/zinc/40/21/73/822402173.db2.gz OFELLZMRWYQKDT-QWHCGFSZSA-N 0 1 393.390 4.182 20 5 GIBDMN C[N@@H+](Cc1ccccc1NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)C1CCCCC1 ZINC000183358762 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GNRBTICVLHRXTL-QWHCGFSZSA-N 0 1 391.855 4.325 20 5 GIBDMN O=[N+]([O-])c1cccc([C@H](O)CN(Cc2csc(Br)c2)C2CC2)c1 ZINC000125222522 823660220 /nfs/dbraw/zinc/66/02/20/823660220.db2.gz NGEJVGVIRZYVJT-OAHLLOKOSA-N 0 1 397.294 4.117 20 5 GIBDMN COc1ccc(NC(=O)[C@@H](C)N[C@@H](C)c2cc3ccccc3o2)c([N+](=O)[O-])c1 ZINC000191369924 823677653 /nfs/dbraw/zinc/67/76/53/823677653.db2.gz VKZUXBLWZSURGX-QWHCGFSZSA-N 0 1 383.404 4.027 20 5 GIBDMN COc1cccc(-c2noc([C@@H](C)N[C@H](C)CCc3ccccc3[N+](=O)[O-])n2)c1 ZINC000191565813 823700792 /nfs/dbraw/zinc/70/07/92/823700792.db2.gz CPWKJKATJIZXIA-HUUCEWRRSA-N 0 1 396.447 4.325 20 5 GIBDMN C[C@@H](CCc1ccccc1[N+](=O)[O-])N[C@@H](C)c1nc(Cc2ccccc2)no1 ZINC000191599809 823708469 /nfs/dbraw/zinc/70/84/69/823708469.db2.gz SXMUPSHRPQWWRX-HOTGVXAUSA-N 0 1 380.448 4.241 20 5 GIBDMN O=[N+]([O-])c1cnc(N2CCCC[C@H]2c2nc3ccc(Cl)cc3[nH]2)c(F)c1 ZINC000413372867 823762492 /nfs/dbraw/zinc/76/24/92/823762492.db2.gz GIHJKSGGFGWSCU-HNNXBMFYSA-N 0 1 375.791 4.390 20 5 GIBDMN CCCN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H](C)c1cc2ccccc2o1 ZINC000064940825 823916167 /nfs/dbraw/zinc/91/61/67/823916167.db2.gz MREKOALTRNFBFC-CQSZACIVSA-N 0 1 381.432 4.413 20 5 GIBDMN Cc1ccc(-c2nnc(NC(=O)c3cc(F)cc(C)c3[N+](=O)[O-])s2)c(C)c1 ZINC000126666152 823922189 /nfs/dbraw/zinc/92/21/89/823922189.db2.gz MTPOGMMPNZODJO-UHFFFAOYSA-N 0 1 386.408 4.430 20 5 GIBDMN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 ZINC000065140794 823950648 /nfs/dbraw/zinc/95/06/48/823950648.db2.gz PPGHPEOWZCPSJI-RHSMWYFYSA-N 0 1 395.484 4.375 20 5 GIBDMN CC(C)(CO)[C@@H](NCc1cc([N+](=O)[O-])ccc1C(F)(F)F)c1ccccc1 ZINC000570585769 823057757 /nfs/dbraw/zinc/05/77/57/823057757.db2.gz NRGFCINSXWRANM-KRWDZBQOSA-N 0 1 382.382 4.463 20 5 GIBDMN C[C@@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(Br)cc1 ZINC000056197408 823101206 /nfs/dbraw/zinc/10/12/06/823101206.db2.gz JDHCMZSLWHETCO-NWDGAFQWSA-N 0 1 392.253 4.035 20 5 GIBDMN CCC[C@H]1CN(c2cc(C)c([N+](=O)[O-])c(C(=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000571049060 823124907 /nfs/dbraw/zinc/12/49/07/823124907.db2.gz CKFRHBJUNCICNO-SFHVURJKSA-N 0 1 397.475 4.092 20 5 GIBDMN C[C@@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)c1ccc(-c2cccnc2)cc1 ZINC000176653845 823258305 /nfs/dbraw/zinc/25/83/05/823258305.db2.gz BBDHAESUAFULFK-CYBMUJFWSA-N 0 1 387.399 4.024 20 5 GIBDMN CCOc1ccc([C@@H](C)N[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000011708054 818110700 /nfs/dbraw/zinc/11/07/00/818110700.db2.gz QEAPTIWSCOXLCJ-CHWSQXEVSA-N 0 1 391.855 4.325 20 5 GIBDMN COc1ccc(CN(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)[C@H](C)C2CC2)cc1 ZINC000057601218 823313575 /nfs/dbraw/zinc/31/35/75/823313575.db2.gz DCKBIAWMJWAXDF-MRXNPFEDSA-N 0 1 397.475 4.151 20 5 GIBDMN CC[C@H](C)c1ccc([C@@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])c2cccs2)cc1 ZINC000122403289 823349995 /nfs/dbraw/zinc/34/99/95/823349995.db2.gz HLIODLGBOQTJJV-YVEFUNNKSA-N 0 1 384.461 4.412 20 5 GIBDMN O=C(NC[C@@H](c1ccccc1)N1CCCC1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000023739013 818977355 /nfs/dbraw/zinc/97/73/55/818977355.db2.gz IGPYXJRVZGZDIA-SFHVURJKSA-N 0 1 395.484 4.376 20 5 GIBDMN C[C@@H](N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)c1ccc(Br)cc1 ZINC000023994731 819004298 /nfs/dbraw/zinc/00/42/98/819004298.db2.gz OWNHXSKWTCFYHO-NEPJUHHUSA-N 0 1 392.253 4.035 20 5 GIBDMN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N(C)CC1(c2ccccc2)CC1 ZINC000189298052 823389672 /nfs/dbraw/zinc/38/96/72/823389672.db2.gz XZHFKJJXGNIFMR-HNNXBMFYSA-N 0 1 378.432 4.369 20 5 GIBDMN C[C@@H](N[C@@H]1CCSc2ccc(Cl)cc21)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000025216192 819944038 /nfs/dbraw/zinc/94/40/38/819944038.db2.gz XWJOAJLMFLFZQE-BXUZGUMPSA-N 0 1 391.880 4.402 20 5 GIBDMN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(-c2cnc(C3CC3)o2)cc1 ZINC000026548216 820112538 /nfs/dbraw/zinc/11/25/38/820112538.db2.gz UZGSMIIRZJZBOL-UHFFFAOYSA-N 0 1 399.428 4.236 20 5 GIBDMN COc1ccc(CN2CCC(c3nc4cccc(C)c4o3)CC2)cc1[N+](=O)[O-] ZINC000189800987 823496813 /nfs/dbraw/zinc/49/68/13/823496813.db2.gz QYNXKYFCQRNVTB-UHFFFAOYSA-N 0 1 381.432 4.433 20 5 GIBDMN Cc1nc([C@H]2CCCN2CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)cs1 ZINC000189855944 823506616 /nfs/dbraw/zinc/50/66/16/823506616.db2.gz JCZRTFMWGKQDAJ-QGZVFWFLSA-N 0 1 384.461 4.394 20 5 GIBDMN CCN(CC)[C@H](CNC(=O)c1cccc(C)c1[N+](=O)[O-])c1ccccc1Cl ZINC000032317628 820914000 /nfs/dbraw/zinc/91/40/00/820914000.db2.gz ASCUXTLRGJDVAW-GOSISDBHSA-N 0 1 389.883 4.370 20 5 GIBDMN O=[N+]([O-])c1ccc(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000033699898 821059286 /nfs/dbraw/zinc/05/92/86/821059286.db2.gz UCZLDVMNTAYAOY-UHFFFAOYSA-N 0 1 380.731 4.068 20 5 GIBDMN C[C@@H](CCc1ccccc1[N+](=O)[O-])N[C@@H](C)c1nc(-c2cccc(F)c2)no1 ZINC000190039926 823529698 /nfs/dbraw/zinc/52/96/98/823529698.db2.gz XMNBHTZEVKCSGL-KBPBESRZSA-N 0 1 384.411 4.456 20 5 GIBDMN C[C@@H](N[C@H](C)c1ccc(-c2cccnc2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000181284578 821735014 /nfs/dbraw/zinc/73/50/14/821735014.db2.gz SGLTUXBFHUAKKI-HZPDHXFCSA-N 0 1 390.443 4.335 20 5 GIBDMN CC(C)Oc1ccc([N+](=O)[O-])cc1CN[C@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000181362313 821787718 /nfs/dbraw/zinc/78/77/18/821787718.db2.gz ZODGLJDEEBXWSC-MRXNPFEDSA-N 0 1 397.475 4.360 20 5 GIBDMN CC(C)[C@H](NCc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000181502558 821856603 /nfs/dbraw/zinc/85/66/03/821856603.db2.gz SPNGUIHGSAFHHL-KRWDZBQOSA-N 0 1 395.381 4.199 20 5 GIBDMN CCN(C[C@H]1CCN(c2cc(C)nc3ccc([N+](=O)[O-])cc32)C1)CC(F)(F)F ZINC000181520774 821864873 /nfs/dbraw/zinc/86/48/73/821864873.db2.gz IGEZCUUNWFPDGP-CQSZACIVSA-N 0 1 396.413 4.162 20 5 GIBDMN COc1ccc([N+](=O)[O-])cc1CN[C@@H](C)c1ccc(OCC(F)(F)F)cc1 ZINC000178730003 822405953 /nfs/dbraw/zinc/40/59/53/822405953.db2.gz URADUTYSNOECIK-LBPRGKRZSA-N 0 1 384.354 4.395 20 5 GIBDMN CN(Cc1cc(F)ccc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000178833784 822414995 /nfs/dbraw/zinc/41/49/95/822414995.db2.gz HKRFMNFVSJFGPC-SJPCQFCGSA-N 0 1 393.459 4.096 20 5 GIBDMN O=[N+]([O-])c1ccc(-c2nc(CSc3nc(-c4ccccc4O)n[nH]3)co2)cc1 ZINC000179345397 822468718 /nfs/dbraw/zinc/46/87/18/822468718.db2.gz OWLXMYGYOJHKMI-UHFFFAOYSA-N 0 1 395.400 4.033 20 5 GIBDMN COc1cc(CN2CCC[C@H](c3nc4ccccc4o3)C2)c([N+](=O)[O-])cc1F ZINC000184240272 822601319 /nfs/dbraw/zinc/60/13/19/822601319.db2.gz BBIQVSIWSHRURG-ZDUSSCGKSA-N 0 1 385.395 4.263 20 5 GIBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@@H](C)c1nc(C(C)(C)C)cs1 ZINC000184501603 822646489 /nfs/dbraw/zinc/64/64/89/822646489.db2.gz XLYPQSGCTKQLSL-ZDUSSCGKSA-N 0 1 390.509 4.337 20 5 GIBDMN C[C@@H](NCC(=O)N(Cc1ccco1)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180401353 822675778 /nfs/dbraw/zinc/67/57/78/822675778.db2.gz HCMARLIWIXFCSY-MRXNPFEDSA-N 0 1 379.416 4.072 20 5 GIBDMN Cc1ccc([C@H](C)NCc2ccc(C(=O)N3CCCCC3)cc2)cc1[N+](=O)[O-] ZINC000180407583 822676655 /nfs/dbraw/zinc/67/66/55/822676655.db2.gz RUHFICDPYVZKTQ-KRWDZBQOSA-N 0 1 381.476 4.380 20 5 GIBDMN O=[N+]([O-])c1ccc(CN[C@@H]2CCCOc3c(Br)cccc32)cc1 ZINC000180416665 822678045 /nfs/dbraw/zinc/67/80/45/822678045.db2.gz WPIHWKFVXQDSTR-MRXNPFEDSA-N 0 1 377.238 4.361 20 5 GIBDMN C[C@H](C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1)c1ccc([N+](=O)[O-])cc1F ZINC000185192552 822747627 /nfs/dbraw/zinc/74/76/27/822747627.db2.gz ZHJOPJVVCQLVIF-QMMMGPOBSA-N 0 1 378.310 4.290 20 5 GIBDMN Cc1c(NC(=O)[C@H](C)N[C@@H](C)c2ccccc2OC(C)C)cccc1[N+](=O)[O-] ZINC000055151856 822941032 /nfs/dbraw/zinc/94/10/32/822941032.db2.gz NLLXPNMNSUEPAK-HOTGVXAUSA-N 0 1 385.464 4.368 20 5 GIBDMN O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CCN(CC2CCCCC2)CC1 ZINC000060579673 823544409 /nfs/dbraw/zinc/54/44/09/823544409.db2.gz LTBDFKKBJHOVGE-UHFFFAOYSA-N 0 1 387.505 4.148 20 5 GIBDMN CC(C)CN1Cc2cccc(NC(=O)[C@@H]3C[C@H]3c3ccc([N+](=O)[O-])cc3)c2C1 ZINC000412201669 823635179 /nfs/dbraw/zinc/63/51/79/823635179.db2.gz JTIBXERQPODMGZ-RBUKOAKNSA-N 0 1 379.460 4.309 20 5 GIBDMN CCOC(=O)c1csc(C2CCN([C@@H](C)c3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000191567211 823701021 /nfs/dbraw/zinc/70/10/21/823701021.db2.gz CEJMNNLKZFYYPV-ZDUSSCGKSA-N 0 1 389.477 4.169 20 5 GIBDMN COc1ccc(CCC[N@@H+](C)[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000125887901 823737762 /nfs/dbraw/zinc/73/77/62/823737762.db2.gz SSGFFCXBNYSMCO-HNNXBMFYSA-N 0 1 396.447 4.279 20 5 GIBDMN COc1ccc(CCCN(C)[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000125887901 823737770 /nfs/dbraw/zinc/73/77/70/823737770.db2.gz SSGFFCXBNYSMCO-HNNXBMFYSA-N 0 1 396.447 4.279 20 5 GIBDMN C[C@H](c1ccc(OC(F)F)cc1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000064141776 823754085 /nfs/dbraw/zinc/75/40/85/823754085.db2.gz RALAIYMQJMFLBS-CQSZACIVSA-N 0 1 377.391 4.079 20 5 GIBDMN COc1ccc(NC(=O)CCN2CC(C)(C)[C@@H]2c2cccs2)c([N+](=O)[O-])c1 ZINC000574542746 823760185 /nfs/dbraw/zinc/76/01/85/823760185.db2.gz HWICNSBACZPCTE-SFHVURJKSA-N 0 1 389.477 4.077 20 5 GIBDMN Cc1cc(NCCc2cc(-c3ccncc3)[nH]n2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461939522 823765958 /nfs/dbraw/zinc/76/59/58/823765958.db2.gz GLPKABSCOZQRAR-UHFFFAOYSA-N 0 1 391.353 4.362 20 5 GIBDMN O=[N+]([O-])c1ccc(CN[C@H]2CCCOc3cc(Br)ccc32)cc1 ZINC000126059194 823777401 /nfs/dbraw/zinc/77/74/01/823777401.db2.gz WKYFMBSUYITEHE-INIZCTEOSA-N 0 1 377.238 4.361 20 5 GIBDMN CCn1ccnc1NCc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000414304790 823954534 /nfs/dbraw/zinc/95/45/34/823954534.db2.gz QZSSMLQFQMTJJF-UHFFFAOYSA-N 0 1 382.420 4.011 20 5 GIBDMN CCc1[nH]nc(C(=O)N(CC)[C@H](C)c2cccc(C(F)(F)F)c2)c1[N+](=O)[O-] ZINC000192461751 823999694 /nfs/dbraw/zinc/99/96/94/823999694.db2.gz KAFKTJHTSSCGEU-SNVBAGLBSA-N 0 1 384.358 4.122 20 5 GIBDMN CC(C)[C@H]1N(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC12CCOCC2 ZINC000414538568 824005267 /nfs/dbraw/zinc/00/52/67/824005267.db2.gz MHEZQOIATZLNAF-GOSISDBHSA-N 0 1 387.505 4.355 20 5 GIBDMN O=[N+]([O-])c1cnc(Cl)cc1N1CCC[C@]2(CCN2Cc2cccc(F)c2)C1 ZINC001164993239 722195069 /nfs/dbraw/zinc/19/50/69/722195069.db2.gz DFUQTJKRZLRUHE-IBGZPJMESA-N 0 1 390.846 4.027 20 5 GIBDMN C[C@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000056196775 823100795 /nfs/dbraw/zinc/10/07/95/823100795.db2.gz HKSGGEBYVJPXEO-RYUDHWBXSA-N 0 1 381.354 4.291 20 5 GIBDMN CCOc1cc(CN[C@@H]2CCc3c2cccc3[N+](=O)[O-])ccc1OC(F)F ZINC000570985793 823115957 /nfs/dbraw/zinc/11/59/57/823115957.db2.gz OIDXADUKWFHVHZ-OAHLLOKOSA-N 0 1 378.375 4.372 20 5 GIBDMN Cc1ccc2nc([C@H]3CCCN3C(=O)CCc3cccc([N+](=O)[O-])c3)[nH]c2c1 ZINC000176107502 823122569 /nfs/dbraw/zinc/12/25/69/823122569.db2.gz RQBUWEBMVRRNDG-LJQANCHMSA-N 0 1 378.432 4.076 20 5 GIBDMN O=[N+]([O-])c1ccccc1OCCN1CCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000571244959 823154715 /nfs/dbraw/zinc/15/47/15/823154715.db2.gz GSLNJEQTUTYFEN-QGZVFWFLSA-N 0 1 386.839 4.340 20 5 GIBDMN C[C@H](NC(c1ccccc1)c1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000016483715 818448611 /nfs/dbraw/zinc/44/86/11/818448611.db2.gz UFQXIJDYBZLBBD-INIZCTEOSA-N 0 1 375.428 4.301 20 5 GIBDMN C[C@@H](N[C@H](C)c1ccc(Br)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000023994729 819004437 /nfs/dbraw/zinc/00/44/37/819004437.db2.gz OWNHXSKWTCFYHO-VXGBXAGGSA-N 0 1 392.253 4.035 20 5 GIBDMN C[C@H](NCc1csc([N+](=O)[O-])c1)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000122768350 823408918 /nfs/dbraw/zinc/40/89/18/823408918.db2.gz RSGDTMNHIXEHPG-IFXJQAMLSA-N 0 1 376.478 4.071 20 5 GIBDMN Cc1c(NC(=O)[C@@H](C)N[C@@H](C)c2ccc(OC(F)F)cc2)cccc1[N+](=O)[O-] ZINC000044803354 821665309 /nfs/dbraw/zinc/66/53/09/821665309.db2.gz PTPMDKADFLPVKF-QWHCGFSZSA-N 0 1 393.390 4.182 20 5 GIBDMN C[C@@H](N[C@H](C)c1ccc(-c2cccnc2)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000181304155 821745134 /nfs/dbraw/zinc/74/51/34/821745134.db2.gz VQYWNWVATKXVMK-HZPDHXFCSA-N 0 1 390.443 4.335 20 5 GIBDMN CC[C@@H](N[C@H](CO)c1cccc(Br)c1)c1cccc([N+](=O)[O-])c1 ZINC000181400613 821807653 /nfs/dbraw/zinc/80/76/53/821807653.db2.gz VLSCIUHAIOWLRP-IAGOWNOFSA-N 0 1 379.254 4.132 20 5 GIBDMN CCN(C(=O)CN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1nc2ccccc2s1 ZINC000181829107 822009610 /nfs/dbraw/zinc/00/96/10/822009610.db2.gz XFLJIWQWGJZFEA-AWEZNQCLSA-N 0 1 398.488 4.217 20 5 GIBDMN O=C(Nc1ccc2nc(C(F)F)[nH]c2c1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000182770790 822365223 /nfs/dbraw/zinc/36/52/23/822365223.db2.gz TUEBKSRTPDFMGU-UHFFFAOYSA-N 0 1 398.272 4.262 20 5 GIBDMN O=[N+]([O-])c1cccc([C@H](O)CN2CC=C(c3c[nH]c4cc(F)ccc43)CC2)c1 ZINC000178867858 822417632 /nfs/dbraw/zinc/41/76/32/822417632.db2.gz KOLVUXILJAHMPM-OAQYLSRUSA-N 0 1 381.407 4.038 20 5 GIBDMN COc1ccc([N+](=O)[O-])cc1CN[C@@H]1CCc2c1cccc2Br ZINC000179208137 822451260 /nfs/dbraw/zinc/45/12/60/822451260.db2.gz XMDKJSQDECCOPD-MRXNPFEDSA-N 0 1 377.238 4.143 20 5 GIBDMN CN(CCC(=O)Nc1c(Cl)cccc1Cl)Cc1ccccc1[N+](=O)[O-] ZINC000046599321 822490338 /nfs/dbraw/zinc/49/03/38/822490338.db2.gz IHYGBYKCKBOBGY-UHFFFAOYSA-N 0 1 382.247 4.362 20 5 GIBDMN O=[N+]([O-])c1ccc(N2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)nc1-c1ccccc1 ZINC000179597144 822509627 /nfs/dbraw/zinc/50/96/27/822509627.db2.gz QMQSTVQDRGXJQB-INIZCTEOSA-N 0 1 390.447 4.036 20 5 GIBDMN O=[N+]([O-])c1ccc(N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)nc1-c1ccccc1 ZINC000179597144 822509629 /nfs/dbraw/zinc/50/96/29/822509629.db2.gz QMQSTVQDRGXJQB-INIZCTEOSA-N 0 1 390.447 4.036 20 5 GIBDMN O=C(Nc1ccc2nc(C(F)F)[nH]c2c1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000179852739 822566459 /nfs/dbraw/zinc/56/64/59/822566459.db2.gz NJSJNUCVPHBAOD-UHFFFAOYSA-N 0 1 387.346 4.235 20 5 GIBDMN O=C(Nc1ccccc1-c1nc(-c2ccccc2)n[nH]1)c1ccc([N+](=O)[O-])cc1 ZINC000047371774 822571583 /nfs/dbraw/zinc/57/15/83/822571583.db2.gz CSTKHQPHDOSTCA-UHFFFAOYSA-N 0 1 385.383 4.299 20 5 GIBDMN COc1cc(CN[C@@H](c2ccc3c(c2)OCCO3)C(C)C)c([N+](=O)[O-])cc1F ZINC000184299553 822610795 /nfs/dbraw/zinc/61/07/95/822610795.db2.gz RUJYOBPPPCRDPQ-HXUWFJFHSA-N 0 1 390.411 4.001 20 5 GIBDMN COc1ccc(OCCN[C@@H](C)c2nc(C(C)(C)C)cs2)c([N+](=O)[O-])c1 ZINC000184467212 822640992 /nfs/dbraw/zinc/64/09/92/822640992.db2.gz RQBHWAUDMXHCBC-LBPRGKRZSA-N 0 1 379.482 4.087 20 5 GIBDMN C[C@@H](NCCC(=O)Nc1ccccc1[N+](=O)[O-])c1nc(C(C)(C)C)cs1 ZINC000184501580 822646530 /nfs/dbraw/zinc/64/65/30/822646530.db2.gz VHPLVXFAXONREZ-GFCCVEGCSA-N 0 1 376.482 4.028 20 5 GIBDMN Cc1ccc(C[C@@H]2CCCN(Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C2)cc1 ZINC000051064259 822745802 /nfs/dbraw/zinc/74/58/02/822745802.db2.gz MALZQYFQTZVILC-SFHVURJKSA-N 0 1 392.459 4.408 20 5 GIBDMN COc1ccccc1O[C@@H](C)CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000174607391 822811815 /nfs/dbraw/zinc/81/18/15/822811815.db2.gz ZKZZSXZTXJPPLA-AWEZNQCLSA-N 0 1 399.472 4.284 20 5 GIBDMN Cc1ccc(CNC(=O)C2CCN([C@@H](C)c3cccc([N+](=O)[O-])c3)CC2)cc1F ZINC000052823972 822812332 /nfs/dbraw/zinc/81/23/32/822812332.db2.gz IBDYVJZHSAXTPK-INIZCTEOSA-N 0 1 399.466 4.132 20 5 GIBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)[C@H](C)c1ccccc1Cl ZINC000053235938 822827365 /nfs/dbraw/zinc/82/73/65/822827365.db2.gz RVTASVWSWAWLIT-CYBMUJFWSA-N 0 1 391.855 4.278 20 5 GIBDMN Cc1nnc(NC(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])[nH]1 ZINC000186192469 822859640 /nfs/dbraw/zinc/85/96/40/822859640.db2.gz ALDOAANKFQAJSK-UHFFFAOYSA-N 0 1 389.824 4.078 20 5 GIBDMN CCOc1ccc([C@@H](C)N[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000124835795 823629869 /nfs/dbraw/zinc/62/98/69/823629869.db2.gz GNRBTICVLHRXTL-CHWSQXEVSA-N 0 1 391.855 4.325 20 5 GIBDMN Cc1ccc([N+](=O)[O-])c(C)c1NS(=O)(=O)c1ccc(Cl)cc1Cl ZINC000574432031 823727171 /nfs/dbraw/zinc/72/71/71/823727171.db2.gz CHAJBFRKVYCVPS-UHFFFAOYSA-N 0 1 375.233 4.319 20 5 GIBDMN Cc1ccc(C)c(S(=O)(=O)Nc2nc(C)c(Cl)cc2Cl)c1[N+](=O)[O-] ZINC000191786165 823767952 /nfs/dbraw/zinc/76/79/52/823767952.db2.gz BOBILOAHOFDWRI-UHFFFAOYSA-N 0 1 390.248 4.023 20 5 GIBDMN CC[C@H](N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccccc1OCC(=O)N(C)C ZINC000165684103 823858787 /nfs/dbraw/zinc/85/87/87/823858787.db2.gz YLSMJVPTGIJGMX-APWZRJJASA-N 0 1 399.491 4.172 20 5 GIBDMN C[C@H]1CC[N@@H+](Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C[C@H]1C(=O)[O-] ZINC000575123658 823917368 /nfs/dbraw/zinc/91/73/68/823917368.db2.gz RRQBNHFOOKGZPZ-SUMWQHHRSA-N 0 1 388.395 4.069 20 5 GIBDMN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](c1ccccc1)c1ccc2nc[nH]c2c1 ZINC000170921827 824005524 /nfs/dbraw/zinc/00/55/24/824005524.db2.gz XJDSFRIYASDJPP-NRFANRHFSA-N 0 1 386.411 4.299 20 5 GIBDMN CC[C@@H](C)[N@@H+](CC(=O)[O-])Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000414685205 824023565 /nfs/dbraw/zinc/02/35/65/824023565.db2.gz SIDSFZBNJZVLCJ-CYBMUJFWSA-N 0 1 376.384 4.211 20 5 GIBDMN CC1(C)C[C@H](NCc2nc(-c3ccc(F)cc3)n[nH]2)c2cc([N+](=O)[O-])ccc21 ZINC000570658730 823068239 /nfs/dbraw/zinc/06/82/39/823068239.db2.gz NEWSCBNPIZBVJR-KRWDZBQOSA-N 0 1 381.411 4.031 20 5 GIBDMN Cc1ccc2nc([C@@H]3CCCN3C(=O)N[C@@H](C)c3ccc([N+](=O)[O-])cc3)[nH]c2c1 ZINC000458885410 823101734 /nfs/dbraw/zinc/10/17/34/823101734.db2.gz FXDGAOZCSDPCIY-LIRRHRJNSA-N 0 1 393.447 4.387 20 5 GIBDMN Cc1noc(C)c1CO[C@H]1CCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000571006726 823119243 /nfs/dbraw/zinc/11/92/43/823119243.db2.gz KUGUAHYYPPPEKM-SFHVURJKSA-N 0 1 397.431 4.251 20 5 GIBDMN Cc1[nH]c(S[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])nc1Cc1ccccc1 ZINC000004492557 817528074 /nfs/dbraw/zinc/52/80/74/817528074.db2.gz KTXQOSAJPIJXRR-CQSZACIVSA-N 0 1 396.472 4.336 20 5 GIBDMN Cc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000007053288 817748083 /nfs/dbraw/zinc/74/80/83/817748083.db2.gz PFJMDIZMCJPLRL-UHFFFAOYSA-N 0 1 394.758 4.376 20 5 GIBDMN O=C(CCN1CCC[C@H]1c1nc2ccccc2s1)Nc1ccccc1[N+](=O)[O-] ZINC000122051804 823299055 /nfs/dbraw/zinc/29/90/55/823299055.db2.gz OTIZAXKMAZCBOP-KRWDZBQOSA-N 0 1 396.472 4.370 20 5 GIBDMN O=[N+]([O-])c1cc(CN2CCC(CCc3ccccc3)CC2)c2c(c1)COCO2 ZINC000011155139 818058045 /nfs/dbraw/zinc/05/80/45/818058045.db2.gz BHJGWIRKUBPNBJ-UHFFFAOYSA-N 0 1 382.460 4.306 20 5 GIBDMN CN(CCCc1cc(-c2ccccc2)no1)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000177036820 823355846 /nfs/dbraw/zinc/35/58/46/823355846.db2.gz CWNIMNWXIJPGPH-UHFFFAOYSA-N 0 1 392.415 4.456 20 5 GIBDMN O=C(N[C@H](c1ccccc1)c1ccc2nc[nH]c2c1)c1ccc([N+](=O)[O-])s1 ZINC000023388944 818932213 /nfs/dbraw/zinc/93/22/13/818932213.db2.gz FXHAQENALHKGDL-GOSISDBHSA-N 0 1 378.413 4.052 20 5 GIBDMN CCS[C@@H]1CCCC[C@H]1N[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000189505261 823433005 /nfs/dbraw/zinc/43/30/05/823433005.db2.gz WKLBYUWXXYJRPQ-APHBMKBZSA-N 0 1 376.482 4.360 20 5 GIBDMN Cc1c(NC(=O)CCN[C@@H](c2ccccc2)c2ccccn2)cccc1[N+](=O)[O-] ZINC000026230793 820072542 /nfs/dbraw/zinc/07/25/42/820072542.db2.gz GCIQQJLRGJQSFS-QFIPXVFZSA-N 0 1 390.443 4.006 20 5 GIBDMN Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)N[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000573137538 823453012 /nfs/dbraw/zinc/45/30/12/823453012.db2.gz QDNKLWSJEZIXQP-MEBBXXQBSA-N 0 1 382.386 4.309 20 5 GIBDMN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc2oc(C(C)(C)C)nc2c1 ZINC000032097389 820897154 /nfs/dbraw/zinc/89/71/54/820897154.db2.gz ZXLMQGAOMNWRDQ-UHFFFAOYSA-N 0 1 389.433 4.143 20 5 GIBDMN Cc1nc(-c2cccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3C)c2)cs1 ZINC000032588661 820973072 /nfs/dbraw/zinc/97/30/72/820973072.db2.gz VHHQIPKMIUBVDO-UHFFFAOYSA-N 0 1 389.458 4.136 20 5 GIBDMN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccccc2CC(F)(F)F)c1C ZINC000460821040 823521729 /nfs/dbraw/zinc/52/17/29/823521729.db2.gz SMDZEXBMHQKJIJ-UHFFFAOYSA-N 0 1 388.367 4.117 20 5 GIBDMN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1CC(F)(F)F ZINC000460842670 823526633 /nfs/dbraw/zinc/52/66/33/823526633.db2.gz YWDQUZXTTUETIL-UHFFFAOYSA-N 0 1 388.367 4.063 20 5 GIBDMN CN(CCC(=O)Nc1ccccc1C(F)(F)F)Cc1ccccc1[N+](=O)[O-] ZINC000177887858 823541642 /nfs/dbraw/zinc/54/16/42/823541642.db2.gz IWAYGBIJAPDFBK-UHFFFAOYSA-N 0 1 381.354 4.074 20 5 GIBDMN C[C@@H](N[C@H](C)c1ccc(-c2ccncc2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000180892193 821518630 /nfs/dbraw/zinc/51/86/30/821518630.db2.gz YWPNPGQAHYZZFO-HZPDHXFCSA-N 0 1 390.443 4.335 20 5 GIBDMN C[C@H](NC(=O)Nc1ccc2nc(C(F)F)[nH]c2c1)c1cccc([N+](=O)[O-])c1 ZINC000181090749 821627736 /nfs/dbraw/zinc/62/77/36/821627736.db2.gz KYHNINOBYRUDFR-VIFPVBQESA-N 0 1 375.335 4.291 20 5 GIBDMN C[C@@H](N[C@H](C)c1ccc(-c2cccnc2)cc1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000181317376 821755395 /nfs/dbraw/zinc/75/53/95/821755395.db2.gz ZTZFSPIUJSHFCA-HZPDHXFCSA-N 0 1 390.443 4.335 20 5 GIBDMN C[C@@H](N[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(-c2cccnc2)cc1 ZINC000181317329 821755485 /nfs/dbraw/zinc/75/54/85/821755485.db2.gz ZTZFSPIUJSHFCA-CVEARBPZSA-N 0 1 390.443 4.335 20 5 GIBDMN Cc1ccc([C@@H](C)N[C@H](CO)c2cccc(Br)c2)cc1[N+](=O)[O-] ZINC000181391491 821802101 /nfs/dbraw/zinc/80/21/01/821802101.db2.gz DKLFIDKEWPNOMG-MLGOLLRUSA-N 0 1 379.254 4.050 20 5 GIBDMN COc1ccccc1COC1CCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000181552637 821878609 /nfs/dbraw/zinc/87/86/09/821878609.db2.gz BVFZMKWOMXXFAQ-RMKNXTFCSA-N 0 1 382.460 4.298 20 5 GIBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@@H](C)c1c(F)cccc1Cl ZINC000181732699 821966923 /nfs/dbraw/zinc/96/69/23/821966923.db2.gz GOZFYJUZVAFWBV-NSHDSACASA-N 0 1 395.818 4.075 20 5 GIBDMN Cc1ccc([C@H](C)NCC(=O)Nc2ccccc2C(F)(F)F)cc1[N+](=O)[O-] ZINC000181832146 822010721 /nfs/dbraw/zinc/01/07/21/822010721.db2.gz UVWKHZPFJPQTHO-LBPRGKRZSA-N 0 1 381.354 4.211 20 5 GIBDMN Cc1ccc([C@@H](C)NCC(=O)Nc2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] ZINC000181833326 822011185 /nfs/dbraw/zinc/01/11/85/822011185.db2.gz BLUWKMBQSNHINQ-LLVKDONJSA-N 0 1 382.247 4.499 20 5 GIBDMN Cc1ccc([C@@H](C)NCC(=O)N[C@H](C)c2ccccc2Cl)cc1[N+](=O)[O-] ZINC000181839815 822013732 /nfs/dbraw/zinc/01/37/32/822013732.db2.gz LDQYVXWLMWBSBG-ZIAGYGMSSA-N 0 1 375.856 4.085 20 5 GIBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000182432028 822240749 /nfs/dbraw/zinc/24/07/49/822240749.db2.gz OUFGYDXBIGJEFK-LBPRGKRZSA-N 0 1 381.354 4.211 20 5 GIBDMN CC(C)Oc1ccc([C@@H](C)NCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000182625662 822328370 /nfs/dbraw/zinc/32/83/70/822328370.db2.gz DAGGOLOOLDXVGJ-CYBMUJFWSA-N 0 1 391.855 4.325 20 5 GIBDMN CCC[C@H](NCC(=O)Nc1ccc(F)c(F)c1F)c1cccc([N+](=O)[O-])c1 ZINC000178202439 822351335 /nfs/dbraw/zinc/35/13/35/822351335.db2.gz BJYFWBDWKGFFIK-AWEZNQCLSA-N 0 1 381.354 4.082 20 5 GIBDMN COc1cc(CN[C@@H](C)c2ccc(C)cc2)c([N+](=O)[O-])cc1OCC(F)F ZINC000182788822 822367535 /nfs/dbraw/zinc/36/75/35/822367535.db2.gz RREGZFKPLBFVQW-ZDUSSCGKSA-N 0 1 380.391 4.407 20 5 GIBDMN CCc1cc2c(CN[C@H](C)c3ccc(C)c([N+](=O)[O-])c3)cc(=O)oc2cc1O ZINC000178685789 822402991 /nfs/dbraw/zinc/40/29/91/822402991.db2.gz NPRSBEWCFZYCNN-CYBMUJFWSA-N 0 1 382.416 4.128 20 5 GIBDMN CC(C)Oc1ccc([N+](=O)[O-])cc1CN[C@H](C)c1ccccc1-n1cccn1 ZINC000183151790 822432102 /nfs/dbraw/zinc/43/21/02/822432102.db2.gz SFOGJOILMRMARF-MRXNPFEDSA-N 0 1 380.448 4.419 20 5 GIBDMN O=[N+]([O-])c1cccc([C@H](NCc2ccc(Cn3cncn3)cc2)c2ccccc2)c1 ZINC000180050365 822604420 /nfs/dbraw/zinc/60/44/20/822604420.db2.gz VOUGUBLOLLUGQG-HSZRJFAPSA-N 0 1 399.454 4.114 20 5 GIBDMN COc1ccc2oc([C@H](C)N[C@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])c(C)c2c1 ZINC000184325054 822615518 /nfs/dbraw/zinc/61/55/18/822615518.db2.gz YHLUBIKFNQGLDN-UONOGXRCSA-N 0 1 397.431 4.336 20 5 GIBDMN COCCOc1ccc(CN[C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)cc1 ZINC000180108128 822616774 /nfs/dbraw/zinc/61/67/74/822616774.db2.gz ZUQJVIKVLCJQCA-QHCPKHFHSA-N 0 1 392.455 4.499 20 5 GIBDMN COc1ccc(OCCN[C@H](C)c2nc(C(C)(C)C)cs2)c([N+](=O)[O-])c1 ZINC000184467229 822641041 /nfs/dbraw/zinc/64/10/41/822641041.db2.gz RQBHWAUDMXHCBC-GFCCVEGCSA-N 0 1 379.482 4.087 20 5 GIBDMN C[C@H](NCCC(=O)Nc1ccccc1[N+](=O)[O-])c1nc(C(C)(C)C)cs1 ZINC000184501563 822646500 /nfs/dbraw/zinc/64/65/00/822646500.db2.gz VHPLVXFAXONREZ-LBPRGKRZSA-N 0 1 376.482 4.028 20 5 GIBDMN C[C@@H](NCC(=O)Nc1ccccc1Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180456785 822685704 /nfs/dbraw/zinc/68/57/04/822685704.db2.gz HYRDXWFHWBLGDW-QGZVFWFLSA-N 0 1 389.455 4.475 20 5 GIBDMN Cc1ccc(C[C@H]2CCCN(Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C2)cc1 ZINC000051064261 822745778 /nfs/dbraw/zinc/74/57/78/822745778.db2.gz MALZQYFQTZVILC-GOSISDBHSA-N 0 1 392.459 4.408 20 5 GIBDMN COc1ccc(-c2ccc(CNCc3cc(OC)c(O)cc3[N+](=O)[O-])cc2)cc1 ZINC000174575346 822807120 /nfs/dbraw/zinc/80/71/20/822807120.db2.gz XGQAXAOCODUDCR-UHFFFAOYSA-N 0 1 394.427 4.274 20 5 GIBDMN COc1ccc(CN(CC(=O)Nc2c(C)cccc2[N+](=O)[O-])[C@H](C)C2CC2)cc1 ZINC000053098044 822821666 /nfs/dbraw/zinc/82/16/66/822821666.db2.gz KPCHSXUNWVGYIO-MRXNPFEDSA-N 0 1 397.475 4.151 20 5 GIBDMN COc1ccc(NC(=O)CN[C@@H](c2ccc(F)cc2)C(C)(C)C)c([N+](=O)[O-])c1 ZINC000053644345 822843745 /nfs/dbraw/zinc/84/37/45/822843745.db2.gz HENRZPDMSPAEKI-IBGZPJMESA-N 0 1 389.427 4.058 20 5 GIBDMN CCc1ccc(C(=O)N2CCC[C@H](c3nc4ccc(C)cc4[nH]3)C2)cc1[N+](=O)[O-] ZINC000175334667 822938397 /nfs/dbraw/zinc/93/83/97/822938397.db2.gz IFIGNPSQQGUSRT-KRWDZBQOSA-N 0 1 392.459 4.362 20 5 GIBDMN Cc1ccc2nc([C@H]3CCCN3C(=O)[C@H](C)c3cccc([N+](=O)[O-])c3)[nH]c2c1 ZINC000570464548 823041038 /nfs/dbraw/zinc/04/10/38/823041038.db2.gz PQGMXMNZKSOULK-AUUYWEPGSA-N 0 1 378.432 4.247 20 5 GIBDMN O=C(CCN[C@@H](CC(F)(F)F)c1ccc(F)cc1)Nc1ccccc1[N+](=O)[O-] ZINC000411456607 823576853 /nfs/dbraw/zinc/57/68/53/823576853.db2.gz MODIXJKCCWBEBE-HNNXBMFYSA-N 0 1 399.344 4.346 20 5 GIBDMN O=[N+]([O-])c1ccccc1CNCc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000061116425 823579025 /nfs/dbraw/zinc/57/90/25/823579025.db2.gz LXJMKWKKVWOATA-UHFFFAOYSA-N 0 1 376.338 4.089 20 5 GIBDMN CCNc1ccc(C(=O)N2CCC[C@H]2c2nc3ccc(C)cc3[nH]2)cc1[N+](=O)[O-] ZINC000061234914 823586336 /nfs/dbraw/zinc/58/63/36/823586336.db2.gz YZYWMWWQGZWSRI-SFHVURJKSA-N 0 1 393.447 4.189 20 5 GIBDMN Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(CN2CCSCC2)c1C ZINC000061307135 823590790 /nfs/dbraw/zinc/59/07/90/823590790.db2.gz WCXPQHNATCSVKL-UHFFFAOYSA-N 0 1 385.489 4.013 20 5 GIBDMN CC[C@@H](NCc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-])c1ccccc1 ZINC000411894123 823613630 /nfs/dbraw/zinc/61/36/30/823613630.db2.gz PYPCFHZSOIGSSZ-OAHLLOKOSA-N 0 1 380.391 4.488 20 5 GIBDMN O=C(c1ccccc1[N+](=O)[O-])N1CCN(Cc2ccccc2)C2(CCCCC2)C1 ZINC000461570055 823661917 /nfs/dbraw/zinc/66/19/17/823661917.db2.gz FHYNXVLCQBLDAF-UHFFFAOYSA-N 0 1 393.487 4.256 20 5 GIBDMN COc1ccc(Cl)cc1-c1n[nH]c(SCCc2ccc([N+](=O)[O-])cc2)n1 ZINC000125356494 823670341 /nfs/dbraw/zinc/67/03/41/823670341.db2.gz HGLQXAGNCHWFSH-UHFFFAOYSA-N 0 1 390.852 4.377 20 5 GIBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(Cc1ccc(F)cc1F)C1CC1 ZINC000063522270 823677571 /nfs/dbraw/zinc/67/75/71/823677571.db2.gz ABNJPFYKBKCKBQ-UHFFFAOYSA-N 0 1 389.402 4.175 20 5 GIBDMN Cc1cc(NC2CCN(Cc3ccccn3)CC2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461774121 823694122 /nfs/dbraw/zinc/69/41/22/823694122.db2.gz HDVPGTSNQQGPOW-UHFFFAOYSA-N 0 1 394.397 4.394 20 5 GIBDMN COc1cc(/C=C(/c2ccncc2)c2ccc([N+](=O)[O-])cc2)cc([N+](=O)[O-])c1O ZINC000125860424 823731369 /nfs/dbraw/zinc/73/13/69/823731369.db2.gz XWINVBRLHQXREK-LICLKQGHSA-N 0 1 393.355 4.201 20 5 GIBDMN O=C(CN1CCCCCC1)Nc1cccc(NCc2csc([N+](=O)[O-])c2)c1 ZINC000126142061 823798207 /nfs/dbraw/zinc/79/82/07/823798207.db2.gz TUPVNGCIAIBGEQ-UHFFFAOYSA-N 0 1 388.493 4.083 20 5 GIBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)[C@@H](C)c1cc(F)ccc1F ZINC000165186414 823838533 /nfs/dbraw/zinc/83/85/33/823838533.db2.gz HOZDLRVPECFYLW-ZDUSSCGKSA-N 0 1 377.391 4.203 20 5 GIBDMN C[C@H](NCc1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@H]1COc2ccccc21 ZINC000169074745 823907801 /nfs/dbraw/zinc/90/78/01/823907801.db2.gz YWLZHHRCVAQHEN-SCLBCKFNSA-N 0 1 381.457 4.373 20 5 GIBDMN Cc1ccc([C@@H](C)N[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1F ZINC000126647879 823918738 /nfs/dbraw/zinc/91/87/38/823918738.db2.gz XMPCIXOOCUVNSK-VXGBXAGGSA-N 0 1 379.819 4.374 20 5 GIBDMN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](c1ccccc1)c1ccc2nc[nH]c2c1 ZINC000170921828 824005562 /nfs/dbraw/zinc/00/55/62/824005562.db2.gz XJDSFRIYASDJPP-OAQYLSRUSA-N 0 1 386.411 4.299 20 5 GIBDMN CCN(CC)[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccco1 ZINC000127142387 824025331 /nfs/dbraw/zinc/02/53/31/824025331.db2.gz QFLSNARWRCAKMJ-HNNXBMFYSA-N 0 1 380.832 4.046 20 5 GIBDMN O=C1OCCC12CCN(Cc1ccc(-c3ccc([N+](=O)[O-])cc3Cl)o1)CC2 ZINC000359878326 212122180 /nfs/dbraw/zinc/12/21/80/212122180.db2.gz QZFBQWXFCHOUEY-UHFFFAOYSA-N 0 1 390.823 4.037 20 5 GIBDMN CC(C)c1ccc(CN2CCC(C(=O)NCc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000120958270 823093149 /nfs/dbraw/zinc/09/31/49/823093149.db2.gz JTZCJQFIWBWUNP-UHFFFAOYSA-N 0 1 395.503 4.247 20 5 GIBDMN C[C@@]1(c2ccccc2)CN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CCO1 ZINC000121339744 823166023 /nfs/dbraw/zinc/16/60/23/823166023.db2.gz FOUOEZMJWALIAW-QFIPXVFZSA-N 0 1 393.443 4.040 20 5 GIBDMN Cc1cc(Cl)c(S(=O)(=O)Nc2ccc(-c3cnco3)cc2)cc1[N+](=O)[O-] ZINC000176640449 823255292 /nfs/dbraw/zinc/25/52/92/823255292.db2.gz DSSORQPOWNLBTG-UHFFFAOYSA-N 0 1 393.808 4.012 20 5 GIBDMN CCOc1ccc([C@@H](C)N[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000011708033 818110688 /nfs/dbraw/zinc/11/06/88/818110688.db2.gz QEAPTIWSCOXLCJ-OLZOCXBDSA-N 0 1 391.855 4.325 20 5 GIBDMN COc1cc(CN(Cc2ccc([N+](=O)[O-])cc2)C2CC2)ccc1OC(F)F ZINC000015036111 818285464 /nfs/dbraw/zinc/28/54/64/818285464.db2.gz MMGUCZMAJOLPAP-UHFFFAOYSA-N 0 1 378.375 4.369 20 5 GIBDMN CC(C)(NCC(=O)Nc1ccccc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000057846855 823341083 /nfs/dbraw/zinc/34/10/83/823341083.db2.gz QXQXLYZCIQGTFP-UHFFFAOYSA-N 0 1 381.354 4.077 20 5 GIBDMN C[C@@H](N[C@@H]1CCSc2ccc(Cl)cc21)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000025215368 819944171 /nfs/dbraw/zinc/94/41/71/819944171.db2.gz DRWRDLPFMHJXHZ-BDJLRTHQSA-N 0 1 391.880 4.402 20 5 GIBDMN Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)N[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000573137537 823453132 /nfs/dbraw/zinc/45/31/32/823453132.db2.gz QDNKLWSJEZIXQP-BONVTDFDSA-N 0 1 382.386 4.309 20 5 GIBDMN O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccc2nc(-c3cccc(F)c3)[nH]c2c1 ZINC000059338804 823492664 /nfs/dbraw/zinc/49/26/64/823492664.db2.gz VVCSECZYUKBDRG-UHFFFAOYSA-N 0 1 390.374 4.458 20 5 GIBDMN O=[N+]([O-])c1cccc([C@H](N[C@@H]2CCN(c3ncccc3F)C2)c2ccccc2)c1 ZINC000180748521 821432220 /nfs/dbraw/zinc/43/22/20/821432220.db2.gz RZZMIBCNAINKJQ-WIYYLYMNSA-N 0 1 392.434 4.087 20 5 GIBDMN C[C@@H](N[C@@H](C)c1ccc(-c2ccncc2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000180892173 821518774 /nfs/dbraw/zinc/51/87/74/821518774.db2.gz YWPNPGQAHYZZFO-JKSUJKDBSA-N 0 1 390.443 4.335 20 5 GIBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@H](C)c1ccc(-c2ccncc2)cc1 ZINC000180902632 821525958 /nfs/dbraw/zinc/52/59/58/821525958.db2.gz FBBUYBFMOBKDJY-MRXNPFEDSA-N 0 1 390.443 4.255 20 5 GIBDMN Cc1c(NC(=O)[C@@H](C)N[C@H](C)c2ccc(OC(F)F)cc2)cccc1[N+](=O)[O-] ZINC000044803360 821665276 /nfs/dbraw/zinc/66/52/76/821665276.db2.gz PTPMDKADFLPVKF-CHWSQXEVSA-N 0 1 393.390 4.182 20 5 GIBDMN C[C@@H](NCc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(N2CCOC2=O)cc1 ZINC000181274957 821728062 /nfs/dbraw/zinc/72/80/62/821728062.db2.gz AGRSKLHLTWTMCW-GFCCVEGCSA-N 0 1 375.812 4.056 20 5 GIBDMN COc1ccc(NC(=O)CCN[C@@H](C)c2c(F)cccc2Cl)c([N+](=O)[O-])c1 ZINC000181741072 821971352 /nfs/dbraw/zinc/97/13/52/821971352.db2.gz GUYVPPGYCRZTJK-NSHDSACASA-N 0 1 395.818 4.075 20 5 GIBDMN CC[C@H]1c2ccsc2CCN1C(=O)CN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000181835536 822012231 /nfs/dbraw/zinc/01/22/31/822012231.db2.gz JSIFFFPCBLRHQZ-YOEHRIQHSA-N 0 1 387.505 4.151 20 5 GIBDMN Cc1cc(Br)c(O)c(NC(=O)c2c(Cl)cccc2[N+](=O)[O-])c1 ZINC000182910414 822391132 /nfs/dbraw/zinc/39/11/32/822391132.db2.gz BUXKADGLMFKMSY-UHFFFAOYSA-N 0 1 385.601 4.277 20 5 GIBDMN CC[C@H](N[C@H](C)C(=O)Nc1cc(Cl)ccc1OC)c1cccc([N+](=O)[O-])c1 ZINC000178672354 822401629 /nfs/dbraw/zinc/40/16/29/822401629.db2.gz INQSSZFUAHMLBE-WBMJQRKESA-N 0 1 391.855 4.325 20 5 GIBDMN Cc1cc(C)cc([C@@H]2CCN(Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C2)c1 ZINC000183470719 822480041 /nfs/dbraw/zinc/48/00/41/822480041.db2.gz POWHBYHXEIZHOO-QGZVFWFLSA-N 0 1 378.432 4.251 20 5 GIBDMN Cc1c([C@H](C)N[C@H](CC(C)C)C(=O)Nc2nccs2)cccc1[N+](=O)[O-] ZINC000179599895 822510330 /nfs/dbraw/zinc/51/03/30/822510330.db2.gz AKMNIEOXZFCJJS-DZGCQCFKSA-N 0 1 376.482 4.064 20 5 GIBDMN COc1ccc(NC(=O)CCN[C@@H](C)c2ccc(F)cc2Cl)c([N+](=O)[O-])c1 ZINC000183782685 822527821 /nfs/dbraw/zinc/52/78/21/822527821.db2.gz IURQYUJFMQCICB-NSHDSACASA-N 0 1 395.818 4.075 20 5 GIBDMN C[C@@H](NCCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1nc(C(C)(C)C)cs1 ZINC000184469359 822641419 /nfs/dbraw/zinc/64/14/19/822641419.db2.gz NSGZRYARLDRMBD-GFCCVEGCSA-N 0 1 376.482 4.028 20 5 GIBDMN C[C@H](NCC(=O)N[C@@H](c1cccs1)C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000180438503 822682176 /nfs/dbraw/zinc/68/21/76/822682176.db2.gz MCELFIQRDWKEIX-UGSOOPFHSA-N 0 1 375.494 4.211 20 5 GIBDMN Cc1ccc2nc([C@@H]3CCCN(C(=O)Nc4ccc([N+](=O)[O-])cc4)C3)[nH]c2c1 ZINC000185522527 822793107 /nfs/dbraw/zinc/79/31/07/822793107.db2.gz NHFIBYPIXQFJGN-CQSZACIVSA-N 0 1 379.420 4.191 20 5 GIBDMN Cc1ccc2nc([C@H]3CCCN(C(=O)Nc4ccc([N+](=O)[O-])cc4)C3)[nH]c2c1 ZINC000185522545 822793167 /nfs/dbraw/zinc/79/31/67/822793167.db2.gz NHFIBYPIXQFJGN-AWEZNQCLSA-N 0 1 379.420 4.191 20 5 GIBDMN O=[N+]([O-])c1cc(C(F)(F)F)ccc1NC1CCN(Cc2ccccn2)CC1 ZINC000052407449 822798350 /nfs/dbraw/zinc/79/83/50/822798350.db2.gz KVPKOFSIOJGFQX-UHFFFAOYSA-N 0 1 380.370 4.085 20 5 GIBDMN COc1ccccc1O[C@H](C)CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000174607405 822811773 /nfs/dbraw/zinc/81/17/73/822811773.db2.gz ZKZZSXZTXJPPLA-CQSZACIVSA-N 0 1 399.472 4.284 20 5 GIBDMN CC[C@@H](NCCOc1ccccc1[N+](=O)[O-])c1nc(C(F)(F)F)cs1 ZINC000185956900 822837219 /nfs/dbraw/zinc/83/72/19/822837219.db2.gz FPAYKTWDUUZVSC-SNVBAGLBSA-N 0 1 375.372 4.190 20 5 GIBDMN COc1cc(CNCc2ccccc2[N+](=O)[O-])ccc1OCc1ccccc1 ZINC000061028898 823574023 /nfs/dbraw/zinc/57/40/23/823574023.db2.gz SHQIVHAIPZLUNU-UHFFFAOYSA-N 0 1 378.428 4.472 20 5 GIBDMN O=C(CCN[C@H](CC(F)(F)F)c1ccc(F)cc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000411448026 823575605 /nfs/dbraw/zinc/57/56/05/823575605.db2.gz DNTKPKYPWUEBLD-MRXNPFEDSA-N 0 1 399.344 4.346 20 5 GIBDMN COc1cc(C(=O)N2CCC[C@@H]2c2nc3ccc(C)cc3[nH]2)cc([N+](=O)[O-])c1C ZINC000190724228 823602254 /nfs/dbraw/zinc/60/22/54/823602254.db2.gz ZVOVZNMEOSHHHP-QGZVFWFLSA-N 0 1 394.431 4.074 20 5 GIBDMN COc1ccccc1[C@H](CNc1ccc([N+](=O)[O-])cc1Br)N(C)C ZINC000461462602 823642590 /nfs/dbraw/zinc/64/25/90/823642590.db2.gz GIFSRLWAVCWTBM-INIZCTEOSA-N 0 1 394.269 4.081 20 5 GIBDMN Cc1c(NC(=O)N2CCC[C@H]2c2n[nH]c(-c3ccccc3)n2)cccc1[N+](=O)[O-] ZINC000125226559 823660419 /nfs/dbraw/zinc/66/04/19/823660419.db2.gz ZZZXQGVMIHMQGX-KRWDZBQOSA-N 0 1 392.419 4.057 20 5 GIBDMN Cc1c(NC(=O)N2CCC[C@H]2c2nc(-c3ccccc3)n[nH]2)cccc1[N+](=O)[O-] ZINC000125226559 823660420 /nfs/dbraw/zinc/66/04/20/823660420.db2.gz ZZZXQGVMIHMQGX-KRWDZBQOSA-N 0 1 392.419 4.057 20 5 GIBDMN CC(C)c1[nH]nc(C(=O)N2CC[C@@H](Cc3ccc(C(C)C)cc3)C2)c1[N+](=O)[O-] ZINC000461701919 823683927 /nfs/dbraw/zinc/68/39/27/823683927.db2.gz NQVREKPZDCYCKP-INIZCTEOSA-N 0 1 384.480 4.270 20 5 GIBDMN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc2nc(C3CC3)sc2c1 ZINC000063879238 823704836 /nfs/dbraw/zinc/70/48/36/823704836.db2.gz BFXMPQSQTODHNM-UHFFFAOYSA-N 0 1 389.458 4.191 20 5 GIBDMN Cc1ccc(CN[C@@H](C)c2cc([N+](=O)[O-])ccc2C)c(OC[C@H]2CCOC2)c1 ZINC000167191586 823888304 /nfs/dbraw/zinc/88/83/04/823888304.db2.gz RBGAUWPEZLGDBO-ROUUACIJSA-N 0 1 384.476 4.478 20 5 GIBDMN O=[N+]([O-])c1ccc(NS(=O)(=O)c2ccc3ccccc3c2)c2cccnc21 ZINC000462373489 823946946 /nfs/dbraw/zinc/94/69/46/823946946.db2.gz OZVSZRNDPQEZJI-UHFFFAOYSA-N 0 1 379.397 4.097 20 5 GIBDMN CCc1c(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)[nH]nc1-c1ccncc1 ZINC000170851458 823991025 /nfs/dbraw/zinc/99/10/25/823991025.db2.gz RGHFKNVOJGBYBC-UHFFFAOYSA-N 0 1 393.428 4.409 20 5 GIBDMN Cn1ncc2c1CCCN(Cc1ccc(-c3ccc([N+](=O)[O-])cc3Cl)o1)C2 ZINC000414472001 823991343 /nfs/dbraw/zinc/99/13/43/823991343.db2.gz NBZVEJFEVYYQEE-UHFFFAOYSA-N 0 1 386.839 4.190 20 5 GIBDMN CC(C)Oc1ccc([N+](=O)[O-])cc1CNC1(c2ccc(F)cc2)CCOCC1 ZINC000170972039 824024173 /nfs/dbraw/zinc/02/41/73/824024173.db2.gz IGTLTSSSOTZJPK-UHFFFAOYSA-N 0 1 388.439 4.317 20 5 GIBDMN O=[N+]([O-])c1cc(Cl)nc(N2CCC[C@]3(CCN3Cc3cccc(F)c3)C2)c1 ZINC001164994546 722191869 /nfs/dbraw/zinc/19/18/69/722191869.db2.gz NUYUGZRCXLTIGN-IBGZPJMESA-N 0 1 390.846 4.027 20 5 GIBDMN CCc1ccc([C@H]2CCCN(C(=O)c3[nH]nc4ccc([N+](=O)[O-])cc43)C2)cc1 ZINC000570591067 823058557 /nfs/dbraw/zinc/05/85/57/823058557.db2.gz CJYUWFUZDJHUQC-INIZCTEOSA-N 0 1 378.432 4.053 20 5 GIBDMN C[C@@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000056196778 823100895 /nfs/dbraw/zinc/10/08/95/823100895.db2.gz HKSGGEBYVJPXEO-NWDGAFQWSA-N 0 1 381.354 4.291 20 5 GIBDMN CNC(=O)c1ccc(CN(C)Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)cc1 ZINC000121159942 823129899 /nfs/dbraw/zinc/12/98/99/823129899.db2.gz CGIDPOUZLBXPOP-UHFFFAOYSA-N 0 1 395.484 4.315 20 5 GIBDMN CCN(CC)CC(=O)Nc1cccc(NC/C(C)=C\c2cccc([N+](=O)[O-])c2)c1 ZINC000571153732 823141709 /nfs/dbraw/zinc/14/17/09/823141709.db2.gz RTPFVPCPECQTKM-ATVHPVEESA-N 0 1 396.491 4.391 20 5 GIBDMN C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000121419348 823181253 /nfs/dbraw/zinc/18/12/53/823181253.db2.gz YKEWEXJOTLRDMD-CZUORRHYSA-N 0 1 382.395 4.162 20 5 GIBDMN COc1cc(CNCc2ccc(C(F)(F)F)cc2C)c([N+](=O)[O-])cc1OC ZINC000188913466 823327651 /nfs/dbraw/zinc/32/76/51/823327651.db2.gz XMTOKOCKTYXNSP-UHFFFAOYSA-N 0 1 384.354 4.229 20 5 GIBDMN CC[C@@H](C)c1ccc([C@@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])c2cccs2)cc1 ZINC000122403082 823349675 /nfs/dbraw/zinc/34/96/75/823349675.db2.gz HLIODLGBOQTJJV-SJKOYZFVSA-N 0 1 384.461 4.412 20 5 GIBDMN COc1ccc([N+](=O)[O-])cc1CN[C@@H](C)c1sc(-c2cccnc2)nc1C ZINC000122426382 823352462 /nfs/dbraw/zinc/35/24/62/823352462.db2.gz DMGQFSHPNBHCIB-LBPRGKRZSA-N 0 1 384.461 4.281 20 5 GIBDMN CN(c1ccccc1)c1ccc(CN2CCC(n3ccnc3)CC2)cc1[N+](=O)[O-] ZINC000122550606 823370978 /nfs/dbraw/zinc/37/09/78/823370978.db2.gz YKUOXKSLKAZOOI-UHFFFAOYSA-N 0 1 391.475 4.396 20 5 GIBDMN COc1cc(CNCc2cncc(C)c2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000122936142 823436424 /nfs/dbraw/zinc/43/64/24/823436424.db2.gz HHAPJJIQPLYLBD-UHFFFAOYSA-N 0 1 393.443 4.176 20 5 GIBDMN CCO[C@H]1C[C@@H](N(C)Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1(CC)CC ZINC000177402548 823454217 /nfs/dbraw/zinc/45/42/17/823454217.db2.gz IIUAZSZSFHJIBL-SJORKVTESA-N 0 1 388.468 4.060 20 5 GIBDMN O=C(Nc1nnc(Cc2ccc(Cl)cc2)s1)c1ccc([N+](=O)[O-])s1 ZINC000189752843 823488225 /nfs/dbraw/zinc/48/82/25/823488225.db2.gz NQJBBSHQBKJWQO-UHFFFAOYSA-N 0 1 380.838 4.004 20 5 GIBDMN O=C(N[C@@H](CN1CCCC1)c1ccccc1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000031145177 820752300 /nfs/dbraw/zinc/75/23/00/820752300.db2.gz WVLBAWVEHVTUAF-SFHVURJKSA-N 0 1 395.484 4.376 20 5 GIBDMN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(-c2cnc(C3CC3)o2)cc1 ZINC000032591334 820974580 /nfs/dbraw/zinc/97/45/80/820974580.db2.gz HHNFCWBUDQTZSM-UHFFFAOYSA-N 0 1 399.428 4.236 20 5 GIBDMN C[C@@H](NCCS(=O)(=O)C(C)(C)C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000180809138 821470929 /nfs/dbraw/zinc/47/09/29/821470929.db2.gz VUNYXWSESUCPLS-CYBMUJFWSA-N 0 1 396.534 4.187 20 5 GIBDMN Cc1c([C@H](C)N[C@H](CO)c2cccc(Br)c2)cccc1[N+](=O)[O-] ZINC000181392538 821802691 /nfs/dbraw/zinc/80/26/91/821802691.db2.gz YJQWRFUAJHMNOQ-BLLLJJGKSA-N 0 1 379.254 4.050 20 5 GIBDMN CC[C@@H](NCC(=O)Nc1ccccc1C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000181551470 821877821 /nfs/dbraw/zinc/87/78/21/821877821.db2.gz AIOUGZKTMRSDPU-OAHLLOKOSA-N 0 1 381.354 4.293 20 5 GIBDMN Cc1ccc([C@@H](C)NCC(=O)N[C@@H](C)c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000181826465 822008161 /nfs/dbraw/zinc/00/81/61/822008161.db2.gz GEYURIKCZWSMMA-KGLIPLIRSA-N 0 1 375.856 4.085 20 5 GIBDMN Cc1ccc([C@@H](C)NCC(=O)N(C)[C@H](C)c2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC000181828404 822009709 /nfs/dbraw/zinc/00/97/09/822009709.db2.gz HPRLSDFVLHRSFZ-ZIAGYGMSSA-N 0 1 391.418 4.052 20 5 GIBDMN CCC[C@@H](NCc1ccc(C(N)=O)cc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000181848861 822016418 /nfs/dbraw/zinc/01/64/18/822016418.db2.gz OSCBUFPMPYMLEE-MRXNPFEDSA-N 0 1 395.381 4.344 20 5 GIBDMN CC[C@H](NCC(=O)Nc1ccccc1Br)c1cccc([N+](=O)[O-])c1 ZINC000178168025 822339346 /nfs/dbraw/zinc/33/93/46/822339346.db2.gz IJYSGHHVCSFTOC-HNNXBMFYSA-N 0 1 392.253 4.037 20 5 GIBDMN COc1cc(CN[C@H](C)c2ccc(C)cc2)c([N+](=O)[O-])cc1OCC(F)F ZINC000182788802 822367587 /nfs/dbraw/zinc/36/75/87/822367587.db2.gz RREGZFKPLBFVQW-CYBMUJFWSA-N 0 1 380.391 4.407 20 5 GIBDMN COc1ccc(Cl)cc1NC(=O)[C@@H](C)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000178683168 822402736 /nfs/dbraw/zinc/40/27/36/822402736.db2.gz UWLQFXRYWSFBSV-CHWSQXEVSA-N 0 1 391.855 4.243 20 5 GIBDMN COc1ccc(Cl)cc1NC(=O)[C@@H](C)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000178683181 822402758 /nfs/dbraw/zinc/40/27/58/822402758.db2.gz UWLQFXRYWSFBSV-QWHCGFSZSA-N 0 1 391.855 4.243 20 5 GIBDMN Cc1ccc([C@H](C)NCc2cc(=O)oc3cc4c(cc23)CCC4)cc1[N+](=O)[O-] ZINC000178686530 822402871 /nfs/dbraw/zinc/40/28/71/822402871.db2.gz GMPBWUDEMHUXOO-AWEZNQCLSA-N 0 1 378.428 4.349 20 5 GIBDMN Cc1c2ccccc2oc1[C@@H](NCc1ccc(C(N)=O)cc1[N+](=O)[O-])C(C)C ZINC000183257636 822449295 /nfs/dbraw/zinc/44/92/95/822449295.db2.gz JQTCRPHMWBEKEX-IBGZPJMESA-N 0 1 381.432 4.235 20 5 GIBDMN CC(C)Oc1ccc([N+](=O)[O-])cc1CN[C@@H](C)c1cccc(-n2cccn2)c1 ZINC000183581807 822497322 /nfs/dbraw/zinc/49/73/22/822497322.db2.gz BDHRJAJBMVWEES-INIZCTEOSA-N 0 1 380.448 4.419 20 5 GIBDMN COc1cc(CN(C)Cc2ccncc2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000183743712 822520828 /nfs/dbraw/zinc/52/08/28/822520828.db2.gz OUCVNTYCMSEERU-UHFFFAOYSA-N 0 1 393.443 4.209 20 5 GIBDMN COc1ccc([N+](=O)[O-])cc1CN[C@@H](C)c1cccc(OCc2ccccn2)c1 ZINC000179684443 822526699 /nfs/dbraw/zinc/52/66/99/822526699.db2.gz OZQPDEZFLFNEND-INIZCTEOSA-N 0 1 393.443 4.428 20 5 GIBDMN COc1ccc(CNCc2cc3cc(Br)ccc3[nH]2)cc1[N+](=O)[O-] ZINC000183821068 822532050 /nfs/dbraw/zinc/53/20/50/822532050.db2.gz OQYQETBKAHJFPW-UHFFFAOYSA-N 0 1 390.237 4.137 20 5 GIBDMN CC[C@H](N[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])c1ccccc1OC(F)F ZINC000179723476 822535365 /nfs/dbraw/zinc/53/53/65/822535365.db2.gz RCZNQNCQWOSOKJ-OCCSQVGLSA-N 0 1 393.390 4.264 20 5 GIBDMN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000179832174 822562302 /nfs/dbraw/zinc/56/23/02/822562302.db2.gz JYBAEYZNZQQYTE-UHFFFAOYSA-N 0 1 380.738 4.243 20 5 GIBDMN O=C(CN[C@@H](c1cccc(C(F)(F)F)c1)C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000180139257 822624392 /nfs/dbraw/zinc/62/43/92/822624392.db2.gz KDXURMNVDYVEAL-GOSISDBHSA-N 0 1 393.365 4.293 20 5 GIBDMN 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