smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=[N+]([O-])c1cc(C(F)(F)N2C[C@@H]3C[C@@H](c4nc(C5CC5)cs4)O[C@@H]3C2)cnc1Cl ZINC001164647898 719287195 /nfs/dbraw/zinc/28/71/95/719287195.db2.gz SMBZZSFIFDLPQI-NZVBXONLSA-N 0 0 442.875 4.488 20 5 IIBDRN O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2C[C@@H]3C[C@H](c4nc(C5CC5)cs4)O[C@@H]3C2)c1 ZINC001164650205 719288345 /nfs/dbraw/zinc/28/83/45/719288345.db2.gz YICIYVFLVGEKOX-COLVAYQJSA-N 0 0 442.875 4.488 20 5 IIBDRN CC(C)n1nc(CN(C)C)c2c1CN(c1ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n1)CC2 ZINC001164655204 719317454 /nfs/dbraw/zinc/31/74/54/719317454.db2.gz VGIPSQVURVUIMX-UHFFFAOYSA-N 0 0 438.507 4.198 20 5 IIBDRN O=[N+]([O-])c1ccc(C(F)(F)N2CCO[C@@H]3[C@H](OCC4CCCC4)CC[C@H]32)nc1Cl ZINC001164663161 719342732 /nfs/dbraw/zinc/34/27/32/719342732.db2.gz VHLLBTMTFNDNBA-UNEWFSDZSA-N 0 0 431.867 4.131 20 5 IIBDRN O=C([O-])[C@@H](Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[NH2+]Cc1ccc(-c2cccc(F)c2F)o1 ZINC000426741388 1126085653 /nfs/dbraw/zinc/08/56/53/1126085653.db2.gz FEXVPRIHCHBWOZ-LJQANCHMSA-N 0 0 441.390 4.400 20 5 IIBDRN CN(Cc1ccco1)Cc1cncc2c1CCN(c1nc3ccccc3cc1[N+](=O)[O-])C2 ZINC001164909572 721758078 /nfs/dbraw/zinc/75/80/78/721758078.db2.gz IFXJBKQJIMEFBH-UHFFFAOYSA-N 0 0 429.480 4.326 20 5 IIBDRN Cn1nc(-c2ccccc2)c2c1C[C@@H]1CN(C(F)(F)c3cc([N+](=O)[O-])cnc3Cl)C[C@H]21 ZINC001164953648 722003961 /nfs/dbraw/zinc/00/39/61/722003961.db2.gz SVBOPBZEAVWWRY-HIFRSBDPSA-N 0 0 445.857 4.365 20 5 IIBDRN O=C(NCC1CC1)[C@H]1CCC2(C1)CCN(C(F)(F)c1ccc([N+](=O)[O-])c(Cl)n1)CC2 ZINC001164971766 722091283 /nfs/dbraw/zinc/09/12/83/722091283.db2.gz CBYUODGOVITDOC-AWEZNQCLSA-N 0 0 442.894 4.101 20 5 IIBDRN O=C([O-])[C@@H](Cc1ccccc1)[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000426690849 1126081603 /nfs/dbraw/zinc/08/16/03/1126081603.db2.gz CXSYEWVGITVJOG-HSZRJFAPSA-N 0 0 442.475 4.233 20 5 IIBDRN O=C([O-])[C@@H](Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[NH2+]Cc1csc(-c2ccc(F)cc2)n1 ZINC000426730103 1126084088 /nfs/dbraw/zinc/08/40/88/1126084088.db2.gz JLYSWSAWQYBBGZ-LJQANCHMSA-N 0 0 440.456 4.124 20 5 IIBDRN CCc1cc(N2CCc3c(CN(C)C)nn(C(C)C)c3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164650485 719316157 /nfs/dbraw/zinc/31/61/57/719316157.db2.gz DZFVYVFCXRHZLE-UHFFFAOYSA-N 0 0 449.559 4.016 20 5 IIBDRN O=[N+]([O-])c1ccc2ccnc(N3CCC4(CC3)COCCN4Cc3ccc(F)cc3)c2c1 ZINC001164672542 719519118 /nfs/dbraw/zinc/51/91/18/719519118.db2.gz JWUGPLFVRMOTFE-UHFFFAOYSA-N 0 0 436.487 4.154 20 5 IIBDRN O=[N+]([O-])c1c(Cl)nc(Cl)nc1N1CCC[C@]2(CCN2Cc2cccc(F)c2)C1 ZINC001164993678 722196231 /nfs/dbraw/zinc/19/62/31/722196231.db2.gz HIOCJUFJBYRQLQ-SFHVURJKSA-N 0 0 426.279 4.076 20 5 IIBDRN O=C([O-])[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc(Oc2cc(F)cc(F)c2)cc1 ZINC000426806294 1126091433 /nfs/dbraw/zinc/09/14/33/1126091433.db2.gz BBKKJEQMGRVTQZ-FQEVSTJZSA-N 0 0 428.391 4.451 20 5 IIBDRN Cc1oc2ncn(C)c(=O)c2c1C(=O)Nc1c2ccccc2n2c1c1ccccc1nc2C ZINC000012527009 526792695 /nfs/dbraw/zinc/79/26/95/526792695.db2.gz LBJUDWJYBFGHIN-UHFFFAOYSA-N 0 0 437.459 4.350 20 5 IIBDRN O=C1CC2(CCN(C(F)(F)c3cnc(Cl)c([N+](=O)[O-])c3)CC2)c2cc(F)ccc21 ZINC001164424334 718936437 /nfs/dbraw/zinc/93/64/37/718936437.db2.gz OBJBABQUQYDTJS-UHFFFAOYSA-N 0 0 425.794 4.452 20 5 IIBDRN O=[N+]([O-])c1cc(C(F)(F)N2CCO[C@H]3[C@H]2CC[C@@H]3OCC2CCCC2)cnc1Cl ZINC001164662578 719341970 /nfs/dbraw/zinc/34/19/70/719341970.db2.gz PWSAWLFMMCDHRE-PVAVHDDUSA-N 0 0 431.867 4.131 20 5 IIBDRN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncc([N+](=O)[O-])c(C)c1C)CC2 ZINC001164660879 719351137 /nfs/dbraw/zinc/35/11/37/719351137.db2.gz ZFLNLBXQRIOEJC-UHFFFAOYSA-N 0 0 446.555 4.301 20 5 IIBDRN O=[N+]([O-])c1cccc2nc(N3CCC4(CC3)COCCN4Cc3ccc(F)cc3)ccc21 ZINC001164671355 719506634 /nfs/dbraw/zinc/50/66/34/719506634.db2.gz DUHIOUWCWQXCJI-UHFFFAOYSA-N 0 0 436.487 4.154 20 5 IIBDRN Cc1noc(C)c1CN1CCO[C@@H]2CN(c3ccc4ccc5ccc(Cl)nc5c4n3)C[C@H]21 ZINC001164945177 721947361 /nfs/dbraw/zinc/94/73/61/721947361.db2.gz SSEKFACZZLGWRJ-WOJBJXKFSA-N 0 0 449.942 4.131 20 5 IIBDRN Cc1nc(CN2CCO[C@@H]3CCN(c4ccc5ccc6cccnc6c5n4)CC[C@@H]32)cs1 ZINC001164983045 722178411 /nfs/dbraw/zinc/17/84/11/722178411.db2.gz BCJOTHOCVAPXLW-FCHUYYIVSA-N 0 0 445.592 4.418 20 5 IIBDRN O=C([O-])[C@@H](Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[NH2+]Cc1ccc(-c2ccncc2)cc1F ZINC000426732267 1126084267 /nfs/dbraw/zinc/08/42/67/1126084267.db2.gz HZMXSQPOGSAYAI-JOCHJYFZSA-N 0 0 434.427 4.063 20 5 IIBDRN O=C(NCC1CC1)[C@@H]1CCC2(C1)CCN(C(F)(F)c1cc([N+](=O)[O-])cnc1Cl)CC2 ZINC001164974212 722091298 /nfs/dbraw/zinc/09/12/98/722091298.db2.gz NVDGXDXWEPKDGK-CQSZACIVSA-N 0 0 442.894 4.101 20 5 IIBDRN O=C([O-])[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000426691671 1126081523 /nfs/dbraw/zinc/08/15/23/1126081523.db2.gz KFUVDKQVDJMWAI-GOSISDBHSA-N 0 0 445.269 4.403 20 5 IIBDRN Cc1cc(C)n(C[C@H]([NH2+]Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C(=O)[O-])n1 ZINC000426718124 1126081770 /nfs/dbraw/zinc/08/17/70/1126081770.db2.gz ABHAUQLXQLXSHZ-SFHVURJKSA-N 0 0 444.875 4.097 20 5 IIBDRN Cc1cc(C)n(C[C@H]([NH2+]Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)C(=O)[O-])n1 ZINC000426722927 1126082737 /nfs/dbraw/zinc/08/27/37/1126082737.db2.gz JKVFZXWQIFPTNU-KRWDZBQOSA-N 0 0 444.875 4.097 20 5 IIBDRN Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](Cc1csc(-c2ccccc2Cl)n1)C(=O)[O-] ZINC000426731629 1126084299 /nfs/dbraw/zinc/08/42/99/1126084299.db2.gz QBTOJKOWYQEPLO-SFHVURJKSA-N 0 0 431.901 4.466 20 5 IIBDRN COc1cc(C[C@@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C(=O)[O-])cc(OC)c1 ZINC000426809608 1126091730 /nfs/dbraw/zinc/09/17/30/1126091730.db2.gz FLEKFICECFPEKA-LJQANCHMSA-N 0 0 442.493 4.126 20 5 IIBDRN COC(=O)[C@]1(C)CCCN1C(F)(F)c1cnc(Cl)c(-c2cccc([N+](=O)[O-])c2)c1 ZINC001164390849 718806198 /nfs/dbraw/zinc/80/61/98/718806198.db2.gz RUBXGNASSCHDCR-SFHVURJKSA-N 0 0 425.819 4.387 20 5 IIBDRN O=C1CC2(CCN(C(F)(F)c3cc([N+](=O)[O-])cnc3Cl)CC2)c2cc(F)ccc21 ZINC001164425661 718937448 /nfs/dbraw/zinc/93/74/48/718937448.db2.gz XHOZKFFQYKCAOE-UHFFFAOYSA-N 0 0 425.794 4.452 20 5 IIBDRN O=[N+]([O-])c1cc(Cl)c(Cl)nc1N1CCC2(CC1)CN(Cc1cccs1)CCO2 ZINC001164694961 719889690 /nfs/dbraw/zinc/88/96/90/719889690.db2.gz IMCFKLNFDMMKFY-UHFFFAOYSA-N 0 0 443.356 4.230 20 5 IIBDRN Cc1cc(C)n(C[C@@H]([NH2+]Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)C(=O)[O-])n1 ZINC000426722928 1126082686 /nfs/dbraw/zinc/08/26/86/1126082686.db2.gz JKVFZXWQIFPTNU-QGZVFWFLSA-N 0 0 444.875 4.097 20 5 IIBDRN O=C([O-])[C@@H](Cc1c(F)cccc1Cl)[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000426757500 1126088220 /nfs/dbraw/zinc/08/82/20/1126088220.db2.gz PGTYSWFZVABOHL-QGZVFWFLSA-N 0 0 435.864 4.296 20 5 IIBDRN O=C([O-])[C@@H](Cc1cccc(Br)c1)[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000426748986 1126086720 /nfs/dbraw/zinc/08/67/20/1126086720.db2.gz BSHYTRAMVMWKED-GOSISDBHSA-N 0 0 445.269 4.403 20 5 IIBDRN CC(C)n1nc(CN(C)C)c2c1CN(c1nc3ccccc3c(Cl)c1[N+](=O)[O-])CC2 ZINC001164648752 719310565 /nfs/dbraw/zinc/31/05/65/719310565.db2.gz LCBJVQJBTJFCGL-UHFFFAOYSA-N 0 0 428.924 4.198 20 5 IIBDRN O=[N+]([O-])c1ccc(C(F)(F)N2CCO[C@H]3[C@H]2CC[C@@H]3OCC2CCCC2)nc1Cl ZINC001164663158 719342787 /nfs/dbraw/zinc/34/27/87/719342787.db2.gz VHLLBTMTFNDNBA-KMFMINBZSA-N 0 0 431.867 4.131 20 5 IIBDRN CN(Cc1ccco1)Cc1cncc2c1CCN(c1ccc3c(cccc3[N+](=O)[O-])n1)C2 ZINC001164911468 721753357 /nfs/dbraw/zinc/75/33/57/721753357.db2.gz WCEWAMSXHNGJID-UHFFFAOYSA-N 0 0 429.480 4.326 20 5 IIBDRN COc1ccc(-c2ccc(C[NH2+][C@@H](Cc3c(F)cccc3Cl)C(=O)[O-])o2)c([N+](=O)[O-])c1 ZINC000426763528 1126088989 /nfs/dbraw/zinc/08/89/89/1126088989.db2.gz SKYVUANJBWVKOB-SFHVURJKSA-N 0 0 448.834 4.441 20 5 IIBDRN O=C([O-])[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000756353935 1126107486 /nfs/dbraw/zinc/10/74/86/1126107486.db2.gz QJNHOZRYNZCPPF-KRWDZBQOSA-N 0 0 427.438 4.017 20 5 IIBDRN O=[N+]([O-])c1cccc(-c2cc(C(F)(F)N3C[C@H]4OCC(F)(F)[C@H]4C3)cnc2Cl)c1 ZINC001164424274 718933143 /nfs/dbraw/zinc/93/31/43/718933143.db2.gz MJPFWMXUZADPQM-LSDHHAIUSA-N 0 0 431.773 4.325 20 5 IIBDRN Cc1cnc2n1CCN(C)C21CCN(c2ccc3ccc4ccc(Cl)nc4c3n2)CC1 ZINC001164916728 721816167 /nfs/dbraw/zinc/81/61/67/721816167.db2.gz GDLMREXULGKEPG-UHFFFAOYSA-N 0 0 432.959 4.382 20 5 IIBDRN Cc1ccc(N2C[C@@]3(CCN(C(F)(F)c4cnc(Cl)c([N+](=O)[O-])c4)C3)CC2=O)s1 ZINC001164965393 722043637 /nfs/dbraw/zinc/04/36/37/722043637.db2.gz XSAZHQWQOZIEEI-KRWDZBQOSA-N 0 0 442.875 4.191 20 5 IIBDRN O=C(NCC1CC1)[C@H]1CCC2(C1)CCN(C(F)(F)c1cnc(Cl)c([N+](=O)[O-])c1)CC2 ZINC001164974969 722091192 /nfs/dbraw/zinc/09/11/92/722091192.db2.gz OVXHIXOATBZWDB-AWEZNQCLSA-N 0 0 442.894 4.101 20 5 IIBDRN O=C([O-])[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccc(Oc2cc(F)cc(F)c2)cc1 ZINC000426783026 1126090300 /nfs/dbraw/zinc/09/03/00/1126090300.db2.gz JAMXIODRLXOEHS-NRFANRHFSA-N 0 0 428.391 4.451 20 5 IIBDRN COc1cc(C[C@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C(=O)[O-])cc(OC)c1 ZINC000426809605 1126091700 /nfs/dbraw/zinc/09/17/00/1126091700.db2.gz FLEKFICECFPEKA-IBGZPJMESA-N 0 0 442.493 4.126 20 5 IIBDRN O=C([O-])[C@H](Cc1ccc(OC(F)F)cc1)[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000426821112 1126092516 /nfs/dbraw/zinc/09/25/16/1126092516.db2.gz PXLNEZMBWBUNBP-SFHVURJKSA-N 0 0 432.379 4.242 20 5 IIBDRN O=[N+]([O-])c1ccccc1-c1cc(C(F)(F)N2CCC3(C[C@H]3CCO)CC2)c(Cl)nn1 ZINC001164392608 718812139 /nfs/dbraw/zinc/81/21/39/718812139.db2.gz MXLZDNOAVJIDOK-CYBMUJFWSA-N 0 0 438.862 4.239 20 5 IIBDRN O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2CCO[C@@H]3[C@H](OCC4CCCC4)CC[C@@H]32)c1 ZINC001164663605 719342781 /nfs/dbraw/zinc/34/27/81/719342781.db2.gz YUORBEMDJMSCDG-BBWFWOEESA-N 0 0 431.867 4.131 20 5 IIBDRN COc1ccc(-c2ccc(C[NH2+][C@H](Cc3c(F)cccc3Cl)C(=O)[O-])o2)c([N+](=O)[O-])c1 ZINC000426763524 1126089093 /nfs/dbraw/zinc/08/90/93/1126089093.db2.gz SKYVUANJBWVKOB-GOSISDBHSA-N 0 0 448.834 4.441 20 5 IIBDRN O=C([O-])[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1csc(COc2ccc(Cl)cc2)n1 ZINC000426807281 1126091507 /nfs/dbraw/zinc/09/15/07/1126091507.db2.gz HIAJQQAHLIBKGH-KRWDZBQOSA-N 0 0 447.900 4.069 20 5 IIBDRN O=[N+]([O-])c1ccc(C(F)(F)N2C[C@@H]3O[C@@H](c4nc(C5CC5)cs4)C[C@H]3C2)nc1Cl ZINC001164648532 719287852 /nfs/dbraw/zinc/28/78/52/719287852.db2.gz UVVLFBHKWLYCQR-GDLCADMTSA-N 0 0 442.875 4.488 20 5 IIBDRN O=[N+]([O-])c1cc(C(F)(F)N2CCO[C@@H]3[C@H](OCC4CCCC4)CC[C@@H]32)cnc1Cl ZINC001164662579 719342092 /nfs/dbraw/zinc/34/20/92/719342092.db2.gz PWSAWLFMMCDHRE-UAGQMJEPSA-N 0 0 431.867 4.131 20 5 IIBDRN O=C([O-])[C@@H](Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[NH2+]Cc1cc(F)cc(C(F)(F)F)c1 ZINC000426731102 1126084003 /nfs/dbraw/zinc/08/40/03/1126084003.db2.gz COMMRRVMFNOGHB-QGZVFWFLSA-N 0 0 425.338 4.020 20 5 IIBDRN O=C([O-])[C@@H](Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[NH2+]Cc1ccc(-c2c(F)cccc2F)o1 ZINC000426735756 1126084866 /nfs/dbraw/zinc/08/48/66/1126084866.db2.gz VBCROCVZZZPBLR-LJQANCHMSA-N 0 0 441.390 4.400 20 5 IIBDRN COc1cc(C[C@@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C(=O)[O-])cc(OC)c1 ZINC000426797627 1126091119 /nfs/dbraw/zinc/09/11/19/1126091119.db2.gz BNZLGBWOOVVVOR-HXUWFJFHSA-N 0 0 442.493 4.126 20 5 IIBDRN O=C([O-])[C@H](Cc1cccc(Br)c1)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000426763370 1126089105 /nfs/dbraw/zinc/08/91/05/1126089105.db2.gz ROAIYNRGMYJNID-KRWDZBQOSA-N 0 0 445.269 4.403 20 5 IIBDRN O=C([O-])[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccc(-c2cccc(Br)c2)o1 ZINC000426785172 1126090481 /nfs/dbraw/zinc/09/04/81/1126090481.db2.gz WARQHMFQOYKBPI-SFHVURJKSA-N 0 0 445.269 4.403 20 5 IIBDRN COc1cccc(C[C@@H]([NH2+]Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C(=O)[O-])c1 ZINC000426809710 1126091784 /nfs/dbraw/zinc/09/17/84/1126091784.db2.gz FQGVUJUPSWHKGC-HXUWFJFHSA-N 0 0 440.427 4.320 20 5 IIBDRN O=C([O-])[C@@H](Cc1ccc(OC(F)F)cc1)[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000426821111 1126092533 /nfs/dbraw/zinc/09/25/33/1126092533.db2.gz PXLNEZMBWBUNBP-GOSISDBHSA-N 0 0 432.379 4.242 20 5 IIBDRN O=C1COC2(C1)CCN(C(F)(F)c1cnc(Cl)c(-c3cccc([N+](=O)[O-])c3)c1)CC2 ZINC001164392063 718828031 /nfs/dbraw/zinc/82/80/31/718828031.db2.gz MTCRVBZZJSCADO-UHFFFAOYSA-N 0 0 437.830 4.184 20 5 IIBDRN O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2CCO[C@@H]3[C@H](OCC4CCCC4)CC[C@H]32)c1 ZINC001164663608 719342805 /nfs/dbraw/zinc/34/28/05/719342805.db2.gz YUORBEMDJMSCDG-ZACQAIPSSA-N 0 0 431.867 4.131 20 5 IIBDRN O=C([O-])[C@@H](Cc1ccc(O)cc1)[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000426645602 1126081101 /nfs/dbraw/zinc/08/11/01/1126081101.db2.gz HOOWBFHIFNHVCR-LJQANCHMSA-N 0 0 426.400 4.017 20 5 IIBDRN O=C([O-])[C@H](Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[NH2+]Cc1ccc(-c2ccncc2)cc1F ZINC000426732268 1126084255 /nfs/dbraw/zinc/08/42/55/1126084255.db2.gz HZMXSQPOGSAYAI-QFIPXVFZSA-N 0 0 434.427 4.063 20 5 IIBDRN O=C([O-])[C@H](Cc1c(F)cccc1Cl)[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000426757499 1126088102 /nfs/dbraw/zinc/08/81/02/1126088102.db2.gz PGTYSWFZVABOHL-KRWDZBQOSA-N 0 0 435.864 4.296 20 5 IIBDRN O=C([O-])[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000756363504 1126107698 /nfs/dbraw/zinc/10/76/98/1126107698.db2.gz MNJHCSOXMGCINR-INIZCTEOSA-N 0 0 427.438 4.017 20 5 IIBDRN Cc1cc(C[NH2+][C@H](Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C(=O)[O-])cc(C)c1OC(F)F ZINC000756382041 1126108250 /nfs/dbraw/zinc/10/82/50/1126108250.db2.gz YEJXJDGPPFKFKI-GOSISDBHSA-N 0 0 433.411 4.080 20 5 IIBDRN CCOC(=O)[C@@]12C[C@@H]1CCN2C(F)(F)c1cnc(Cl)c(-c2cccc([N+](=O)[O-])c2)c1 ZINC001164624000 719043114 /nfs/dbraw/zinc/04/31/14/719043114.db2.gz NPUNQRNNNIRFMX-ORAYPTAESA-N 0 0 437.830 4.387 20 5 IIBDRN CC(C)N(C)Cc1nnc2n1CCCN(c1ccc3ccc4ccc(Cl)nc4c3n1)C2 ZINC001165009533 721704636 /nfs/dbraw/zinc/70/46/36/721704636.db2.gz APFFBFDQAXNYON-UHFFFAOYSA-N 0 0 435.963 4.278 20 5 IIBDRN Cc1nc(CN2CCO[C@H]3CCN(c4ccc5ccc6cccnc6c5n4)CC[C@H]32)cs1 ZINC001164983048 722178572 /nfs/dbraw/zinc/17/85/72/722178572.db2.gz BCJOTHOCVAPXLW-YADHBBJMSA-N 0 0 445.592 4.418 20 5 IIBDRN O=C([O-])[C@H](Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[NH2+]Cc1ccc(-c2cccc(F)c2F)o1 ZINC000426741387 1126085560 /nfs/dbraw/zinc/08/55/60/1126085560.db2.gz FEXVPRIHCHBWOZ-IBGZPJMESA-N 0 0 441.390 4.400 20 5 IIBDRN O=C([O-])[C@@H](Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[NH2+]Cc1cnc(-c2cccs2)s1 ZINC000426735434 1126084817 /nfs/dbraw/zinc/08/48/17/1126084817.db2.gz FMZMMKFYSNEQRM-MRXNPFEDSA-N 0 0 428.495 4.047 20 5 IIBDRN COc1cccc(C[C@H]([NH2+]Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)C(=O)[O-])c1 ZINC000426773361 1126089718 /nfs/dbraw/zinc/08/97/18/1126089718.db2.gz JNQKWEITVYHPEG-NRFANRHFSA-N 0 0 435.480 4.157 20 5 IIBDRN O=C([O-])[C@@H](Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[NH2+]Cc1ccc(SC(F)(F)F)cc1 ZINC000756378707 1126107908 /nfs/dbraw/zinc/10/79/08/1126107908.db2.gz HLIGGORHBGXTRO-QGZVFWFLSA-N 0 0 439.415 4.474 20 5 IIBDRN O=[N+]([O-])c1cnc(N2CCC3(CC2)COCCN3Cc2ccc(F)cc2)c2ccccc21 ZINC001164672951 719503965 /nfs/dbraw/zinc/50/39/65/719503965.db2.gz LKWGPKKQWOAAQL-UHFFFAOYSA-N 0 0 436.487 4.154 20 5 IIBDRN Cn1nc(-c2ccccc2)c2c1C[C@@H]1CN(C(F)(F)c3ccc([N+](=O)[O-])c(Cl)n3)C[C@H]21 ZINC001164950650 722003704 /nfs/dbraw/zinc/00/37/04/722003704.db2.gz DUJKEMWEEAAZOK-KGLIPLIRSA-N 0 0 445.857 4.365 20 5 IIBDRN Cc1ccc(N2C[C@]3(CCN(C(F)(F)c4ccc([N+](=O)[O-])c(Cl)n4)C3)CC2=O)s1 ZINC001164962301 722043860 /nfs/dbraw/zinc/04/38/60/722043860.db2.gz OKYQUJHPKPTAOT-QGZVFWFLSA-N 0 0 442.875 4.191 20 5 IIBDRN Cc1cc(C)n(C[C@@H]([NH2+]Cc2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)C(=O)[O-])n1 ZINC000426737863 1126085168 /nfs/dbraw/zinc/08/51/68/1126085168.db2.gz QXQKFQVBZOBWFS-LJQANCHMSA-N 0 0 440.525 4.111 20 5 IIBDRN O=C([O-])[C@@H](Cc1ccc(OC(F)F)cc1)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000426794692 1126090914 /nfs/dbraw/zinc/09/09/14/1126090914.db2.gz SRLIXGBEJHSFDX-GOSISDBHSA-N 0 0 432.379 4.242 20 5 IIBDRN COc1cccc(C[C@H]([NH2+]Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C(=O)[O-])c1 ZINC000426809709 1126091712 /nfs/dbraw/zinc/09/17/12/1126091712.db2.gz FQGVUJUPSWHKGC-FQEVSTJZSA-N 0 0 440.427 4.320 20 5 IIBDRN O=C([O-])[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000756359681 1126107545 /nfs/dbraw/zinc/10/75/45/1126107545.db2.gz DJTUZJBPPXQGHY-KRWDZBQOSA-N 0 0 427.438 4.017 20 5 IIBDRN O=[N+]([O-])c1ccc(-c2cc(C(F)(F)N3CCC4(C[C@H]4CCO)CC3)c(Cl)nn2)cc1 ZINC001164393743 718812208 /nfs/dbraw/zinc/81/22/08/718812208.db2.gz VJQPYOAQBOBSDI-CQSZACIVSA-N 0 0 438.862 4.239 20 5 IIBDRN O=[N+]([O-])c1cc(C(F)(F)N2C[C@@H]3O[C@@H](c4nc(C5CC5)cs4)C[C@H]3C2)cnc1Cl ZINC001164647901 719287233 /nfs/dbraw/zinc/28/72/33/719287233.db2.gz SMBZZSFIFDLPQI-VQISRLSMSA-N 0 0 442.875 4.488 20 5 IIBDRN CN(Cc1ccco1)Cc1cncc2c1CCN(c1ccc3ccc([N+](=O)[O-])cc3n1)C2 ZINC001164909433 721750530 /nfs/dbraw/zinc/75/05/30/721750530.db2.gz SYNVUUDMZSFKAD-UHFFFAOYSA-N 0 0 429.480 4.326 20 5 IIBDRN Cc1ccc(-c2ncc(C[NH2+][C@H](Cc3c[nH]c4ccc([N+](=O)[O-])cc34)C(=O)[O-])s2)cc1 ZINC000426726426 1126083433 /nfs/dbraw/zinc/08/34/33/1126083433.db2.gz JNQLGQWVMHYPCJ-HXUWFJFHSA-N 0 0 436.493 4.294 20 5 IIBDRN Cc1cc(C)n(C[C@H]([NH2+]Cc2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)C(=O)[O-])n1 ZINC000426737862 1126085202 /nfs/dbraw/zinc/08/52/02/1126085202.db2.gz QXQKFQVBZOBWFS-IBGZPJMESA-N 0 0 440.525 4.111 20 5 IIBDRN COc1cccc(C[C@@H]([NH2+]Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)C(=O)[O-])c1 ZINC000426773364 1126089684 /nfs/dbraw/zinc/08/96/84/1126089684.db2.gz JNQKWEITVYHPEG-OAQYLSRUSA-N 0 0 435.480 4.157 20 5 IIBDRN O=C([O-])[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cc(Br)cc(C(F)(F)F)c1 ZINC000426783384 1126090330 /nfs/dbraw/zinc/09/03/30/1126090330.db2.gz KWYLULJKFRXJNQ-HNNXBMFYSA-N 0 0 447.207 4.162 20 5 IIBDRN O=C([O-])[C@H](Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[NH2+]Cc1ccc(SC(F)(F)F)cc1 ZINC000756378705 1126107929 /nfs/dbraw/zinc/10/79/29/1126107929.db2.gz HLIGGORHBGXTRO-KRWDZBQOSA-N 0 0 439.415 4.474 20 5 IIBDRN CC(C)n1nc(CN(C)C)c2c1CN(c1cc3ccc(Cl)nc3cc1[N+](=O)[O-])CC2 ZINC001164654155 719317540 /nfs/dbraw/zinc/31/75/40/719317540.db2.gz PETJQQISSWEUGY-UHFFFAOYSA-N 0 0 428.924 4.198 20 5 IIBDRN O=[N+]([O-])c1cc(C(F)(F)N2CCO[C@@H]3[C@@H](OCC4CCCC4)CC[C@@H]32)cnc1Cl ZINC001164662580 719342034 /nfs/dbraw/zinc/34/20/34/719342034.db2.gz PWSAWLFMMCDHRE-XIRDDKMYSA-N 0 0 431.867 4.131 20 5 IIBDRN O=[N+]([O-])c1cc2ccccc2nc1N1CCC2(CC1)COCCN2Cc1ccc(F)cc1 ZINC001164672589 719514195 /nfs/dbraw/zinc/51/41/95/719514195.db2.gz LIWDDSIOCFXQHU-UHFFFAOYSA-N 0 0 436.487 4.154 20 5 IIBDRN O=[N+]([O-])c1c(Cl)cc(Cl)nc1N1CCC2(CC1)CN(Cc1cccs1)CCO2 ZINC001164696113 719891555 /nfs/dbraw/zinc/89/15/55/719891555.db2.gz XQCMAZUNIYDTHS-UHFFFAOYSA-N 0 0 443.356 4.230 20 5 IIBDRN CN1C(=O)CC[C@H]2[C@@H]1CCN2C(F)(F)c1cnc(Cl)c(-c2cccc([N+](=O)[O-])c2)c1 ZINC001164934645 721894703 /nfs/dbraw/zinc/89/47/03/721894703.db2.gz ROERBWCHJHBVNY-IRXDYDNUSA-N 0 0 436.846 4.055 20 5 IIBDRN CSc1nc(Cl)nc(N2CCC[C@@]3(CCN3Cc3cccc(F)c3)C2)c1[N+](=O)[O-] ZINC001164994448 722201958 /nfs/dbraw/zinc/20/19/58/722201958.db2.gz HEEBURGJOIMNED-LJQANCHMSA-N 0 0 437.928 4.144 20 5 IIBDRN O=C([O-])[C@H](Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[NH2+]Cc1csc(-c2ccc(F)cc2)n1 ZINC000426730102 1126084078 /nfs/dbraw/zinc/08/40/78/1126084078.db2.gz JLYSWSAWQYBBGZ-IBGZPJMESA-N 0 0 440.456 4.124 20 5 IIBDRN O=C([O-])[C@@H](Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[NH2+]Cc1csc(-c2ccsc2)n1 ZINC000426732091 1126084235 /nfs/dbraw/zinc/08/42/35/1126084235.db2.gz RJKIVPTYMWCBGB-QGZVFWFLSA-N 0 0 428.495 4.047 20 5 IIBDRN O=C([O-])[C@@H](Cc1cccc(Br)c1)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000426748312 1126086811 /nfs/dbraw/zinc/08/68/11/1126086811.db2.gz WIFPJRIWTMWKEU-GOSISDBHSA-N 0 0 445.269 4.403 20 5 IIBDRN O=[N+]([O-])c1cc(C(F)(F)N2C[C@@H]3O[C@H](c4nc(C5CC5)cs4)C[C@H]3C2)cnc1Cl ZINC001164647896 719287150 /nfs/dbraw/zinc/28/71/50/719287150.db2.gz SMBZZSFIFDLPQI-LKTVYLICSA-N 0 0 442.875 4.488 20 5 IIBDRN O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2CCc3ncnc(-c4ccc(F)cc4)c3CC2)c1 ZINC001164778132 721315481 /nfs/dbraw/zinc/31/54/81/721315481.db2.gz WQPSSTRZVMFYTD-UHFFFAOYSA-N 0 0 449.820 4.389 20 5 IIBDRN O=C([O-])[C@H](Cc1ccccc1)[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000426690850 1126081576 /nfs/dbraw/zinc/08/15/76/1126081576.db2.gz CXSYEWVGITVJOG-QHCPKHFHSA-N 0 0 442.475 4.233 20 5 IIBDRN Cc1cc(C)n(C[C@@H]([NH2+]Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C(=O)[O-])n1 ZINC000426718123 1126081739 /nfs/dbraw/zinc/08/17/39/1126081739.db2.gz ABHAUQLXQLXSHZ-GOSISDBHSA-N 0 0 444.875 4.097 20 5 IIBDRN O=C([O-])[C@H](Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[NH2+]Cc1csc(-c2cccs2)n1 ZINC000426739195 1126085408 /nfs/dbraw/zinc/08/54/08/1126085408.db2.gz AMTIKVFMGPDVQK-INIZCTEOSA-N 0 0 428.495 4.047 20 5 IIBDRN O=C([O-])[C@H](Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[NH2+]Cc1csc(-c2ccsc2)n1 ZINC000426732090 1126084273 /nfs/dbraw/zinc/08/42/73/1126084273.db2.gz RJKIVPTYMWCBGB-KRWDZBQOSA-N 0 0 428.495 4.047 20 5 IIBDRN COc1ccc(-c2ccc(C[NH2+][C@H](Cc3cccc(Cl)c3)C(=O)[O-])o2)c([N+](=O)[O-])c1 ZINC000426743497 1126085813 /nfs/dbraw/zinc/08/58/13/1126085813.db2.gz NZLVQVSGQCLJPE-GOSISDBHSA-N 0 0 430.844 4.302 20 5 IIBDRN O=C([O-])[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1cc(Br)cc(C(F)(F)F)c1 ZINC000426807023 1126091493 /nfs/dbraw/zinc/09/14/93/1126091493.db2.gz FOHYGBDAEQBISC-AWEZNQCLSA-N 0 0 447.207 4.162 20 5 IIBDRN O=C([O-])[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000426811565 1126091984 /nfs/dbraw/zinc/09/19/84/1126091984.db2.gz NHOJSJJDJVEDLV-AWEZNQCLSA-N 0 0 436.308 4.418 20 5 IIBDRN O=C([O-])[C@@H](Cc1c[nH]c2cc(F)ccc12)[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000426828206 1126093099 /nfs/dbraw/zinc/09/30/99/1126093099.db2.gz KKAROSOUCUSKAU-LJQANCHMSA-N 0 0 440.456 4.124 20 5 IIBDRN O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2CCO[C@@H]3[C@@H](OCC4CCCC4)CC[C@@H]32)c1 ZINC001164663607 719342680 /nfs/dbraw/zinc/34/26/80/719342680.db2.gz YUORBEMDJMSCDG-ULQDDVLXSA-N 0 0 431.867 4.131 20 5 IIBDRN Cc1cc(Cl)nc(N2CCc3c(CN(C)Cc4ccco4)cncc3C2)c1[N+](=O)[O-] ZINC001164910016 721750802 /nfs/dbraw/zinc/75/08/02/721750802.db2.gz YDCOUXREDIVTPG-UHFFFAOYSA-N 0 0 427.892 4.134 20 5 IIBDRN Cn1nc(-c2ccccc2)c2c1C[C@H]1CN(C(F)(F)c3cnc(Cl)c([N+](=O)[O-])c3)C[C@@H]21 ZINC001164952152 722003089 /nfs/dbraw/zinc/00/30/89/722003089.db2.gz KQPNWLVVRKCGGX-DZGCQCFKSA-N 0 0 445.857 4.365 20 5 IIBDRN CSc1nc(Cl)c([N+](=O)[O-])c(N2CCC[C@@]3(CCN3Cc3cccc(F)c3)C2)n1 ZINC001164992880 722193775 /nfs/dbraw/zinc/19/37/75/722193775.db2.gz BTXIAMAPBZGZAV-LJQANCHMSA-N 0 0 437.928 4.144 20 5 IIBDRN O=C([O-])[C@H](Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[NH2+]Cc1ccc(OC(F)F)c(Cl)c1 ZINC000426735638 1126084872 /nfs/dbraw/zinc/08/48/72/1126084872.db2.gz GFLYVNVZQMQCHJ-INIZCTEOSA-N 0 0 439.802 4.116 20 5 IIBDRN O=[N+]([O-])c1cccc(-c2nc(CN[C@@H](Cc3ccccc3)[C@H](O)C(F)(F)F)cs2)c1 ZINC000609707714 1126100622 /nfs/dbraw/zinc/10/06/22/1126100622.db2.gz UUQOCVQJGGFWMN-ROUUACIJSA-N 0 0 437.443 4.342 20 5 IIBDRN Cc1ccc(Sc2ccc(C[NH2+][C@@H](Cn3cc(Cl)cn3)C(=O)[O-])cc2[N+](=O)[O-])cc1 ZINC001320872317 1126170558 /nfs/dbraw/zinc/17/05/58/1126170558.db2.gz MDBKAEAWSUJQPY-KRWDZBQOSA-N 0 0 446.916 4.147 20 5 IIBDRN O=[N+]([O-])c1ccc(C(F)(F)N2C[C@@H]3C[C@@H](c4nc(C5CC5)cs4)O[C@@H]3C2)nc1Cl ZINC001164648533 719287947 /nfs/dbraw/zinc/28/79/47/719287947.db2.gz UVVLFBHKWLYCQR-LEWSCRJBSA-N 0 0 442.875 4.488 20 5 IIBDRN Cc1cc(Cl)c([N+](=O)[O-])c(N2CCc3c(CN(C)Cc4ccco4)cncc3C2)n1 ZINC001164908446 721751538 /nfs/dbraw/zinc/75/15/38/721751538.db2.gz JDPKXFARRFZEMH-UHFFFAOYSA-N 0 0 427.892 4.134 20 5 IIBDRN O=C(NCC1CC1)[C@@H]1CCC2(C1)CCN(C(F)(F)c1ccc([N+](=O)[O-])c(Cl)n1)CC2 ZINC001164971767 722091343 /nfs/dbraw/zinc/09/13/43/722091343.db2.gz CBYUODGOVITDOC-CQSZACIVSA-N 0 0 442.894 4.101 20 5 IIBDRN O=C([O-])[C@@H](Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[NH2+]Cc1cnc(-c2ccsc2)s1 ZINC000426738581 1126085225 /nfs/dbraw/zinc/08/52/25/1126085225.db2.gz XGMIEXOXUZDRKN-QGZVFWFLSA-N 0 0 428.495 4.047 20 5 IIBDRN O=[N+]([O-])c1cccc(-c2nc(CN[C@H](Cc3ccccc3)[C@H](O)C(F)(F)F)cs2)c1 ZINC000609707712 1126100559 /nfs/dbraw/zinc/10/05/59/1126100559.db2.gz UUQOCVQJGGFWMN-MSOLQXFVSA-N 0 0 437.443 4.342 20 5 IIBDRN O=[N+]([O-])c1cccc(-c2nc(CN[C@@H](Cc3ccccc3)[C@@H](O)C(F)(F)F)cs2)c1 ZINC000609707715 1126100633 /nfs/dbraw/zinc/10/06/33/1126100633.db2.gz UUQOCVQJGGFWMN-ZWKOTPCHSA-N 0 0 437.443 4.342 20 5 IIBDRN Cc1cc(C[NH2+][C@@H](Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C(=O)[O-])cc(C)c1OC(F)F ZINC000756382042 1126108241 /nfs/dbraw/zinc/10/82/41/1126108241.db2.gz YEJXJDGPPFKFKI-SFHVURJKSA-N 0 0 433.411 4.080 20 5 IIBDRN O=[N+]([O-])c1cccc(-c2cc(C(F)(F)N3C[C@@H]4OCC(F)(F)[C@H]4C3)cnc2Cl)c1 ZINC001164424272 718932944 /nfs/dbraw/zinc/93/29/44/718932944.db2.gz MJPFWMXUZADPQM-GJZGRUSLSA-N 0 0 431.773 4.325 20 5 IIBDRN Cc1noc(C)c1CN1CCO[C@H]2CN(c3ccc4ccc5ccc(Cl)nc5c4n3)C[C@H]21 ZINC001164945175 721947182 /nfs/dbraw/zinc/94/71/82/721947182.db2.gz SSEKFACZZLGWRJ-UXHICEINSA-N 0 0 449.942 4.131 20 5 IIBDRN Cn1nc(-c2ccccc2)c2c1C[C@H]1CN(C(F)(F)c3cc([N+](=O)[O-])cnc3Cl)C[C@H]21 ZINC001164953653 722004087 /nfs/dbraw/zinc/00/40/87/722004087.db2.gz SVBOPBZEAVWWRY-ZFWWWQNUSA-N 0 0 445.857 4.365 20 5 IIBDRN CSc1nc(Cl)nc(N2CCC[C@]3(CCN3Cc3cccc(F)c3)C2)c1[N+](=O)[O-] ZINC001164994447 722201740 /nfs/dbraw/zinc/20/17/40/722201740.db2.gz HEEBURGJOIMNED-IBGZPJMESA-N 0 0 437.928 4.144 20 5 IIBDRN Cc1cc(C[NH2+][C@H](Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C(=O)[O-])ccc1Oc1cccnc1 ZINC000426740716 1126085413 /nfs/dbraw/zinc/08/54/13/1126085413.db2.gz ILLMRVFVXXAIMO-JOCHJYFZSA-N 0 0 446.463 4.357 20 5 IIBDRN O=C([O-])[C@H](Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[NH2+]Cc1cccc(OCc2ccccc2)c1 ZINC000426741182 1126085668 /nfs/dbraw/zinc/08/56/68/1126085668.db2.gz DJLFQGWITRNULE-DEOSSOPVSA-N 0 0 445.475 4.441 20 5 IIBDRN O=C([O-])[C@@H](Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[NH2+]Cc1cccc(OCc2ccccc2)c1 ZINC000426741183 1126085695 /nfs/dbraw/zinc/08/56/95/1126085695.db2.gz DJLFQGWITRNULE-XMMPIXPASA-N 0 0 445.475 4.441 20 5 IIBDRN O=C([O-])[C@@H](Cc1ccc(OC(F)F)cc1)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000426816840 1126092376 /nfs/dbraw/zinc/09/23/76/1126092376.db2.gz QXMCFFPYGLPLQJ-QGZVFWFLSA-N 0 0 432.379 4.242 20 5 IIBDRN O=[N+]([O-])c1cccc(-c2cc(C(F)(F)N3CCC4(C[C@@H]4CCO)CC3)c(Cl)nn2)c1 ZINC001164391720 718812189 /nfs/dbraw/zinc/81/21/89/718812189.db2.gz HQQKWEKCAFJVLV-AWEZNQCLSA-N 0 0 438.862 4.239 20 5 IIBDRN O=[N+]([O-])c1ccc(C(F)(F)N2C[C@@H]3O[C@H](c4nc(C5CC5)cs4)C[C@H]3C2)nc1Cl ZINC001164648531 719287906 /nfs/dbraw/zinc/28/79/06/719287906.db2.gz UVVLFBHKWLYCQR-BPNCWPANSA-N 0 0 442.875 4.488 20 5 IIBDRN O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2C[C@@H]3O[C@H](c4nc(C5CC5)cs4)C[C@H]3C2)c1 ZINC001164650211 719288341 /nfs/dbraw/zinc/28/83/41/719288341.db2.gz YICIYVFLVGEKOX-LKTVYLICSA-N 0 0 442.875 4.488 20 5 IIBDRN Cc1noc(C)c1CN1CCO[C@H]2CN(c3ccc4ccc5ccc(Cl)nc5c4n3)C[C@@H]21 ZINC001164945174 721947343 /nfs/dbraw/zinc/94/73/43/721947343.db2.gz SSEKFACZZLGWRJ-PMACEKPBSA-N 0 0 449.942 4.131 20 5 IIBDRN Cn1nc(-c2ccccc2)c2c1C[C@H]1CN(C(F)(F)c3cc([N+](=O)[O-])cnc3Cl)C[C@@H]21 ZINC001164953647 722004050 /nfs/dbraw/zinc/00/40/50/722004050.db2.gz SVBOPBZEAVWWRY-DZGCQCFKSA-N 0 0 445.857 4.365 20 5 IIBDRN O=C([O-])[C@H](Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[NH2+]Cc1ccc(F)c(C(F)(F)F)c1 ZINC000426720361 1126082053 /nfs/dbraw/zinc/08/20/53/1126082053.db2.gz MJSQTVWKMQUANA-KRWDZBQOSA-N 0 0 425.338 4.020 20 5 IIBDRN O=C([O-])[C@H](Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[NH2+]Cc1cc(C(F)(F)F)ccc1F ZINC000426720278 1126082066 /nfs/dbraw/zinc/08/20/66/1126082066.db2.gz LTBHRWQJBKLNFF-KRWDZBQOSA-N 0 0 425.338 4.020 20 5 IIBDRN O=[N+]([O-])c1cc(C(F)(F)N2C[C@@H]3C[C@H](c4nc(C5CC5)cs4)O[C@@H]3C2)cnc1Cl ZINC001164647894 719287336 /nfs/dbraw/zinc/28/73/36/719287336.db2.gz SMBZZSFIFDLPQI-COLVAYQJSA-N 0 0 442.875 4.488 20 5 IIBDRN O=[N+]([O-])c1ccc(C(F)(F)N2CCc3ncnc(-c4ccc(F)cc4)c3CC2)nc1Cl ZINC001164776684 721315591 /nfs/dbraw/zinc/31/55/91/721315591.db2.gz OOVIFHLFNYVNLD-UHFFFAOYSA-N 0 0 449.820 4.389 20 5 IIBDRN O=C([O-])[C@H](Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[NH2+]Cc1cc(F)cc(C(F)(F)F)c1 ZINC000426731101 1126083980 /nfs/dbraw/zinc/08/39/80/1126083980.db2.gz COMMRRVMFNOGHB-KRWDZBQOSA-N 0 0 425.338 4.020 20 5 IIBDRN COc1cc(Cl)c(C[NH2+][C@@H](Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C(=O)[O-])cc1Cl ZINC000426735699 1126084892 /nfs/dbraw/zinc/08/48/92/1126084892.db2.gz UTNCPTGDIXLTOZ-KRWDZBQOSA-N 0 0 438.267 4.177 20 5 IIBDRN COc1ccc(-c2ccc(C[NH2+][C@@H](Cc3cccc(Cl)c3)C(=O)[O-])o2)c([N+](=O)[O-])c1 ZINC000426743500 1126085895 /nfs/dbraw/zinc/08/58/95/1126085895.db2.gz NZLVQVSGQCLJPE-SFHVURJKSA-N 0 0 430.844 4.302 20 5 IIBDRN Cc1ccc(-c2nc(C[NH2+][C@H](Cc3c[nH]c4ccc([N+](=O)[O-])cc34)C(=O)[O-])cs2)cc1 ZINC000426744201 1126086122 /nfs/dbraw/zinc/08/61/22/1126086122.db2.gz WCYFXUIRNRODRK-HXUWFJFHSA-N 0 0 436.493 4.294 20 5 IIBDRN O=C([O-])[C@H](Cc1ccc(OC(F)F)cc1)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000426816839 1126092446 /nfs/dbraw/zinc/09/24/46/1126092446.db2.gz QXMCFFPYGLPLQJ-KRWDZBQOSA-N 0 0 432.379 4.242 20 5 IIBDRN O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2C[C@@H]3O[C@@H](c4nc(C5CC5)cs4)C[C@H]3C2)c1 ZINC001164650224 719288369 /nfs/dbraw/zinc/28/83/69/719288369.db2.gz YICIYVFLVGEKOX-VQISRLSMSA-N 0 0 442.875 4.488 20 5 IIBDRN O=[N+]([O-])c1ccc2c(ccnc2N2CCC3(CC2)COCCN3Cc2ccc(F)cc2)c1 ZINC001164677003 719532692 /nfs/dbraw/zinc/53/26/92/719532692.db2.gz ACYGIPCKWLZJAG-UHFFFAOYSA-N 0 0 436.487 4.154 20 5 IIBDRN CN(Cc1ccco1)Cc1cncc2c1CCN(c1ccc3cccc([N+](=O)[O-])c3n1)C2 ZINC001164911385 721753570 /nfs/dbraw/zinc/75/35/70/721753570.db2.gz VDXFGFKAJJFJBX-UHFFFAOYSA-N 0 0 429.480 4.326 20 5 IIBDRN CN(Cc1ccco1)Cc1cncc2c1CCN(c1nccc3ccc([N+](=O)[O-])cc31)C2 ZINC001164911722 721760012 /nfs/dbraw/zinc/76/00/12/721760012.db2.gz XUJVWCCZQDQZSY-UHFFFAOYSA-N 0 0 429.480 4.326 20 5 IIBDRN Cn1nc(-c2ccccc2)c2c1C[C@H]1CN(C(F)(F)c3ccc([N+](=O)[O-])c(Cl)n3)C[C@H]21 ZINC001164950648 722003793 /nfs/dbraw/zinc/00/37/93/722003793.db2.gz DUJKEMWEEAAZOK-KBPBESRZSA-N 0 0 445.857 4.365 20 5 IIBDRN O=C(NCC1CC1)[C@@H]1CCC2(C1)CCN(C(F)(F)c1cnc(Cl)c([N+](=O)[O-])c1)CC2 ZINC001164974970 722091191 /nfs/dbraw/zinc/09/11/91/722091191.db2.gz OVXHIXOATBZWDB-CQSZACIVSA-N 0 0 442.894 4.101 20 5 IIBDRN O=C([O-])[C@@H](Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[NH2+]Cc1csc(-c2cccs2)n1 ZINC000426739196 1126085477 /nfs/dbraw/zinc/08/54/77/1126085477.db2.gz AMTIKVFMGPDVQK-MRXNPFEDSA-N 0 0 428.495 4.047 20 5 IIBDRN O=[N+]([O-])c1cccc(-c2cc(C(F)(F)N3C[C@@H]4[C@@H](C3)OCC4(F)F)cnc2Cl)c1 ZINC001164424273 718933208 /nfs/dbraw/zinc/93/32/08/718933208.db2.gz MJPFWMXUZADPQM-HUUCEWRRSA-N 0 0 431.773 4.325 20 5 IIBDRN O=[N+]([O-])c1ccc(C(F)(F)N2CCO[C@@H]3[C@H](OCC4CCCC4)CC[C@@H]32)nc1Cl ZINC001164663159 719342742 /nfs/dbraw/zinc/34/27/42/719342742.db2.gz VHLLBTMTFNDNBA-LXZKKBNFSA-N 0 0 431.867 4.131 20 5 IIBDRN CN1C(=O)CC[C@H]2[C@H]1CCN2C(F)(F)c1cnc(Cl)c(-c2cccc([N+](=O)[O-])c2)c1 ZINC001164934646 721894736 /nfs/dbraw/zinc/89/47/36/721894736.db2.gz ROERBWCHJHBVNY-SJORKVTESA-N 0 0 436.846 4.055 20 5 IIBDRN CN1C(=O)CC[C@@H]2[C@@H]1CCN2C(F)(F)c1cnc(Cl)c(-c2cccc([N+](=O)[O-])c2)c1 ZINC001164934643 721894767 /nfs/dbraw/zinc/89/47/67/721894767.db2.gz ROERBWCHJHBVNY-DLBZAZTESA-N 0 0 436.846 4.055 20 5 IIBDRN Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](Cc1csc(-c2ccccc2Cl)n1)C(=O)[O-] ZINC000426731628 1126084262 /nfs/dbraw/zinc/08/42/62/1126084262.db2.gz QBTOJKOWYQEPLO-GOSISDBHSA-N 0 0 431.901 4.466 20 5 IIBDRN O=C([O-])[C@H](Cc1cccc(Br)c1)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000426748313 1126086706 /nfs/dbraw/zinc/08/67/06/1126086706.db2.gz WIFPJRIWTMWKEU-SFHVURJKSA-N 0 0 445.269 4.403 20 5 IIBDRN O=[N+]([O-])c1ccccc1-c1cc(C(F)(F)N2CCC3(C[C@@H]3CCO)CC2)c(Cl)nn1 ZINC001164392610 718812287 /nfs/dbraw/zinc/81/22/87/718812287.db2.gz MXLZDNOAVJIDOK-ZDUSSCGKSA-N 0 0 438.862 4.239 20 5 IIBDRN O=[N+]([O-])c1cc(C(F)(F)N2CCc3ncnc(-c4ccc(F)cc4)c3CC2)cnc1Cl ZINC001164778098 721314742 /nfs/dbraw/zinc/31/47/42/721314742.db2.gz WCOLYKIPLJRTPX-UHFFFAOYSA-N 0 0 449.820 4.389 20 5 IIBDRN CN(Cc1ccco1)Cc1cncc2c1CCN(c1nc(Cl)c(Cl)cc1[N+](=O)[O-])C2 ZINC001164910010 721749305 /nfs/dbraw/zinc/74/93/05/721749305.db2.gz XSQZVNMONUGJGP-UHFFFAOYSA-N 0 0 448.310 4.479 20 5 IIBDRN Cn1nc(-c2ccccc2)c2c1C[C@H]1CN(C(F)(F)c3ccc([N+](=O)[O-])c(Cl)n3)C[C@@H]21 ZINC001164950652 722003836 /nfs/dbraw/zinc/00/38/36/722003836.db2.gz DUJKEMWEEAAZOK-UONOGXRCSA-N 0 0 445.857 4.365 20 5 IIBDRN Cc1nc(CN2CCO[C@H]3CCN(c4ccc5ccc6cccnc6c5n4)CC[C@@H]32)cs1 ZINC001164983047 722178604 /nfs/dbraw/zinc/17/86/04/722178604.db2.gz BCJOTHOCVAPXLW-VXKWHMMOSA-N 0 0 445.592 4.418 20 5 IIBDRN CSc1nc(Cl)c([N+](=O)[O-])c(N2CCC[C@]3(CCN3Cc3cccc(F)c3)C2)n1 ZINC001164992879 722193492 /nfs/dbraw/zinc/19/34/92/722193492.db2.gz BTXIAMAPBZGZAV-IBGZPJMESA-N 0 0 437.928 4.144 20 5 IIBDRN O=[N+]([O-])c1c(Cl)nc(Cl)nc1N1CCC[C@@]2(CCN2Cc2cccc(F)c2)C1 ZINC001164993677 722196321 /nfs/dbraw/zinc/19/63/21/722196321.db2.gz HIOCJUFJBYRQLQ-GOSISDBHSA-N 0 0 426.279 4.076 20 5 IIBDRN Cc1ccc(C[NH2+][C@H](Cc2csc(-c3ccccc3Cl)n2)C(=O)[O-])cc1[N+](=O)[O-] ZINC000426735423 1126084781 /nfs/dbraw/zinc/08/47/81/1126084781.db2.gz FKMAIYPBPORTJG-QGZVFWFLSA-N 0 0 431.901 4.466 20 5 IIBDRN O=C([O-])[C@H](Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[NH2+]Cc1cnc(-c2ccsc2)s1 ZINC000426738580 1126085213 /nfs/dbraw/zinc/08/52/13/1126085213.db2.gz XGMIEXOXUZDRKN-KRWDZBQOSA-N 0 0 428.495 4.047 20 5 IIBDRN O=[N+]([O-])c1cccc(-c2cc(C(F)(F)N3C[C@@H]4OCC(F)(F)[C@@H]4C3)cnc2Cl)c1 ZINC001164424271 718932710 /nfs/dbraw/zinc/93/27/10/718932710.db2.gz MJPFWMXUZADPQM-CABCVRRESA-N 0 0 431.773 4.325 20 5 IIBDRN O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2CCO[C@H]3[C@H]2CC[C@@H]3OCC2CCCC2)c1 ZINC001164663606 719342756 /nfs/dbraw/zinc/34/27/56/719342756.db2.gz YUORBEMDJMSCDG-IKGGRYGDSA-N 0 0 431.867 4.131 20 5 IIBDRN O=[N+]([O-])c1cccc2ccc(N3CCC4(CC3)COCCN4Cc3ccc(F)cc3)nc21 ZINC001164672236 719506273 /nfs/dbraw/zinc/50/62/73/719506273.db2.gz HIXBIZXIXXDNHU-UHFFFAOYSA-N 0 0 436.487 4.154 20 5 IIBDRN CN(Cc1ccco1)Cc1cncc2c1CCN(c1ncc([N+](=O)[O-])c3ccccc31)C2 ZINC001164908942 721752507 /nfs/dbraw/zinc/75/25/07/721752507.db2.gz OXFRSKSBKSQUNI-UHFFFAOYSA-N 0 0 429.480 4.326 20 5 IIBDRN Cc1ccc(N2C[C@]3(CCN(C(F)(F)c4cnc(Cl)c([N+](=O)[O-])c4)C3)CC2=O)s1 ZINC001164965394 722043603 /nfs/dbraw/zinc/04/36/03/722043603.db2.gz XSAZHQWQOZIEEI-QGZVFWFLSA-N 0 0 442.875 4.191 20 5 IIBDRN O=C([O-])[C@H](Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[NH2+]Cc1cnc(-c2cccs2)s1 ZINC000426735433 1126084699 /nfs/dbraw/zinc/08/46/99/1126084699.db2.gz FMZMMKFYSNEQRM-INIZCTEOSA-N 0 0 428.495 4.047 20 5 IIBDRN COc1ccc(C[NH2+][C@@H](Cc2csc(-c3ccccc3Cl)n2)C(=O)[O-])cc1[N+](=O)[O-] ZINC000426738732 1126085226 /nfs/dbraw/zinc/08/52/26/1126085226.db2.gz YKCVVEQTDQBILM-INIZCTEOSA-N 0 0 447.900 4.166 20 5 IIBDRN O=C([O-])[C@@H](Cc1ccc(OC(F)F)cc1)[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000426822723 1126092791 /nfs/dbraw/zinc/09/27/91/1126092791.db2.gz FHWDPHJRJPFGPN-QGZVFWFLSA-N 0 0 449.435 4.105 20 5 IIBDRN O=C([O-])[C@H](Cc1ccc(OC(F)F)cc1)[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000426822722 1126092826 /nfs/dbraw/zinc/09/28/26/1126092826.db2.gz FHWDPHJRJPFGPN-KRWDZBQOSA-N 0 0 449.435 4.105 20 5 IIBDRN Cc1ccc(N2C[C@]3(CCN(C(F)(F)c4cc([N+](=O)[O-])cnc4Cl)C3)CC2=O)s1 ZINC001164961088 722043850 /nfs/dbraw/zinc/04/38/50/722043850.db2.gz LPNFYPUSUKHBEP-QGZVFWFLSA-N 0 0 442.875 4.191 20 5 IIBDRN O=C([O-])[C@H](Cc1ccccc1)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000426691672 1126081519 /nfs/dbraw/zinc/08/15/19/1126081519.db2.gz KFUVDKQVDJMWAI-SFHVURJKSA-N 0 0 445.269 4.403 20 5 IIBDRN O=C([O-])[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000756353667 1126107491 /nfs/dbraw/zinc/10/74/91/1126107491.db2.gz NVKSSSYPZZHFRX-SFHVURJKSA-N 0 0 427.438 4.017 20 5 IIBDRN O=[N+]([O-])c1cccc(-c2cc(C(F)(F)N3CCC4(C[C@H]4CCO)CC3)c(Cl)nn2)c1 ZINC001164391724 718812186 /nfs/dbraw/zinc/81/21/86/718812186.db2.gz HQQKWEKCAFJVLV-CQSZACIVSA-N 0 0 438.862 4.239 20 5 IIBDRN Cc1noc(C)c1CN1CCO[C@@H]2CN(c3ccc4ccc5ccc(Cl)nc5c4n3)C[C@@H]21 ZINC001164945176 721947280 /nfs/dbraw/zinc/94/72/80/721947280.db2.gz SSEKFACZZLGWRJ-VQTJNVASSA-N 0 0 449.942 4.131 20 5 IIBDRN Cn1nc(-c2ccccc2)c2c1C[C@@H]1CN(C(F)(F)c3cnc(Cl)c([N+](=O)[O-])c3)C[C@H]21 ZINC001164952156 722003058 /nfs/dbraw/zinc/00/30/58/722003058.db2.gz KQPNWLVVRKCGGX-HIFRSBDPSA-N 0 0 445.857 4.365 20 5 IIBDRN O=C([O-])[C@H](Cc1ccc(O)cc1)[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000426645601 1126081049 /nfs/dbraw/zinc/08/10/49/1126081049.db2.gz HOOWBFHIFNHVCR-IBGZPJMESA-N 0 0 426.400 4.017 20 5 IIBDRN O=C([O-])[C@@H](Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[NH2+]Cc1ccc(F)c(C(F)(F)F)c1 ZINC000426720362 1126081985 /nfs/dbraw/zinc/08/19/85/1126081985.db2.gz MJSQTVWKMQUANA-QGZVFWFLSA-N 0 0 425.338 4.020 20 5 IIBDRN Cc1cc(C[NH2+][C@@H](Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C(=O)[O-])ccc1Oc1cccnc1 ZINC000426740717 1126085451 /nfs/dbraw/zinc/08/54/51/1126085451.db2.gz ILLMRVFVXXAIMO-QFIPXVFZSA-N 0 0 446.463 4.357 20 5 IIBDRN Cc1ccc(-c2ncc(C[NH2+][C@@H](Cc3c[nH]c4ccc([N+](=O)[O-])cc34)C(=O)[O-])s2)cc1 ZINC000426726425 1126083470 /nfs/dbraw/zinc/08/34/70/1126083470.db2.gz JNQLGQWVMHYPCJ-FQEVSTJZSA-N 0 0 436.493 4.294 20 5 IIBDRN Cc1ccc(C[NH2+][C@@H](Cc2csc(-c3ccccc3Cl)n2)C(=O)[O-])cc1[N+](=O)[O-] ZINC000426735422 1126084696 /nfs/dbraw/zinc/08/46/96/1126084696.db2.gz FKMAIYPBPORTJG-KRWDZBQOSA-N 0 0 431.901 4.466 20 5 IIBDRN COc1cc(Cl)c(C[NH2+][C@H](Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C(=O)[O-])cc1Cl ZINC000426735703 1126084857 /nfs/dbraw/zinc/08/48/57/1126084857.db2.gz UTNCPTGDIXLTOZ-QGZVFWFLSA-N 0 0 438.267 4.177 20 5 IIBDRN O=C([O-])[C@@H](Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[NH2+]Cc1ccc(OC(F)F)c(Cl)c1 ZINC000426735639 1126084937 /nfs/dbraw/zinc/08/49/37/1126084937.db2.gz GFLYVNVZQMQCHJ-MRXNPFEDSA-N 0 0 439.802 4.116 20 5 IIBDRN COc1c(Cl)cc(Cl)cc1C[NH2+][C@H](Cc1c[nH]c2ccc([N+](=O)[O-])cc12)C(=O)[O-] ZINC000426737264 1126085148 /nfs/dbraw/zinc/08/51/48/1126085148.db2.gz NFZDNNGTCWBOKH-QGZVFWFLSA-N 0 0 438.267 4.177 20 5 IIBDRN O=C([O-])[C@H](Cc1c[nH]c2cc(F)ccc12)[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000426828204 1126093071 /nfs/dbraw/zinc/09/30/71/1126093071.db2.gz KKAROSOUCUSKAU-IBGZPJMESA-N 0 0 440.456 4.124 20 5 IIBDRN O=[N+]([O-])c1ccc(N2CCN(Cc3coc(-c4ccc(Br)cc4)n3)CC2)cc1 ZINC000072182285 563167394 /nfs/dbraw/zinc/16/73/94/563167394.db2.gz ZYWVIJQLCYOEHB-UHFFFAOYSA-N 0 0 443.301 4.335 20 5 IIBDRN CCOC(=O)[C@]12C[C@H]1CCN2C(F)(F)c1cnc(Cl)c(-c2cccc([N+](=O)[O-])c2)c1 ZINC001164624005 719042925 /nfs/dbraw/zinc/04/29/25/719042925.db2.gz NPUNQRNNNIRFMX-YJYMSZOUSA-N 0 0 437.830 4.387 20 5 IIBDRN O=[N+]([O-])c1ccc(C(F)(F)N2C[C@@H]3C[C@H](c4nc(C5CC5)cs4)O[C@@H]3C2)nc1Cl ZINC001164648534 719287951 /nfs/dbraw/zinc/28/79/51/719287951.db2.gz UVVLFBHKWLYCQR-ZLKJLUDKSA-N 0 0 442.875 4.488 20 5 IIBDRN O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2C[C@@H]3C[C@@H](c4nc(C5CC5)cs4)O[C@@H]3C2)c1 ZINC001164650217 719288161 /nfs/dbraw/zinc/28/81/61/719288161.db2.gz YICIYVFLVGEKOX-NZVBXONLSA-N 0 0 442.875 4.488 20 5 IIBDRN CN(Cc1ccco1)Cc1cncc2c1CCN(c1nc(Cl)cc(Cl)c1[N+](=O)[O-])C2 ZINC001164909590 721753237 /nfs/dbraw/zinc/75/32/37/721753237.db2.gz JESGGSDIPTZSMB-UHFFFAOYSA-N 0 0 448.310 4.479 20 5 IIBDRN Cc1ccc(N2C[C@@]3(CCN(C(F)(F)c4ccc([N+](=O)[O-])c(Cl)n4)C3)CC2=O)s1 ZINC001164962295 722043858 /nfs/dbraw/zinc/04/38/58/722043858.db2.gz OKYQUJHPKPTAOT-KRWDZBQOSA-N 0 0 442.875 4.191 20 5 IIBDRN COc1ccc(-c2ccc(C[NH2+][C@H](Cc3c[nH]c4ccccc34)C(=O)[O-])o2)c([N+](=O)[O-])c1 ZINC000426650127 1126081254 /nfs/dbraw/zinc/08/12/54/1126081254.db2.gz ZUZBOPSEZGAUFY-HXUWFJFHSA-N 0 0 435.436 4.130 20 5 IIBDRN COc1c(Cl)cc(Cl)cc1C[NH2+][C@@H](Cc1c[nH]c2ccc([N+](=O)[O-])cc12)C(=O)[O-] ZINC000426737263 1126085210 /nfs/dbraw/zinc/08/52/10/1126085210.db2.gz NFZDNNGTCWBOKH-KRWDZBQOSA-N 0 0 438.267 4.177 20 5 IIBDRN O=C([O-])[C@H](Cc1ccc(F)cc1)[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000426747406 1126086557 /nfs/dbraw/zinc/08/65/57/1126086557.db2.gz OZCAZTMJIGKJJN-IBGZPJMESA-N 0 0 428.391 4.451 20 5 IIBDRN O=C([O-])[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccc(-c2ccc(Br)cc2)o1 ZINC000426799685 1126091073 /nfs/dbraw/zinc/09/10/73/1126091073.db2.gz JFJGRTXVLUOABJ-SFHVURJKSA-N 0 0 445.269 4.403 20 5 IIBDRN Cc1ccc(Sc2ccc(C[NH2+][C@H](Cn3cc(Cl)cn3)C(=O)[O-])cc2[N+](=O)[O-])cc1 ZINC001320872318 1126170575 /nfs/dbraw/zinc/17/05/75/1126170575.db2.gz MDBKAEAWSUJQPY-QGZVFWFLSA-N 0 0 446.916 4.147 20 5 IIBDRN O=C1CC2(CCN(C(F)(F)c3ccc([N+](=O)[O-])c(Cl)n3)CC2)c2cc(F)ccc21 ZINC001164425974 718937247 /nfs/dbraw/zinc/93/72/47/718937247.db2.gz ZNKJVPVVCWDHHD-UHFFFAOYSA-N 0 0 425.794 4.452 20 5 IIBDRN O=[N+]([O-])c1cc(C(F)(F)N2CCO[C@@H]3[C@H](OCC4CCCC4)CC[C@H]32)cnc1Cl ZINC001164662577 719342012 /nfs/dbraw/zinc/34/20/12/719342012.db2.gz PWSAWLFMMCDHRE-OIISXLGYSA-N 0 0 431.867 4.131 20 5 IIBDRN O=[N+]([O-])c1ccc2ccc(N3CCC4(CC3)COCCN4Cc3ccc(F)cc3)nc2c1 ZINC001164673196 719501982 /nfs/dbraw/zinc/50/19/82/719501982.db2.gz POFXOYUYAYOAKP-UHFFFAOYSA-N 0 0 436.487 4.154 20 5 IIBDRN CN1C(=O)CC[C@@H]2[C@H]1CCN2C(F)(F)c1cnc(Cl)c(-c2cccc([N+](=O)[O-])c2)c1 ZINC001164934644 721894789 /nfs/dbraw/zinc/89/47/89/721894789.db2.gz ROERBWCHJHBVNY-IAGOWNOFSA-N 0 0 436.846 4.055 20 5 IIBDRN Cn1nc(-c2ccccc2)c2c1C[C@H]1CN(C(F)(F)c3cnc(Cl)c([N+](=O)[O-])c3)C[C@H]21 ZINC001164952161 722003281 /nfs/dbraw/zinc/00/32/81/722003281.db2.gz KQPNWLVVRKCGGX-ZFWWWQNUSA-N 0 0 445.857 4.365 20 5 IIBDRN Cc1ccc(N2C[C@@]3(CCN(C(F)(F)c4cc([N+](=O)[O-])cnc4Cl)C3)CC2=O)s1 ZINC001164961087 722043893 /nfs/dbraw/zinc/04/38/93/722043893.db2.gz LPNFYPUSUKHBEP-KRWDZBQOSA-N 0 0 442.875 4.191 20 5 IIBDRN O=C([O-])[C@H](Cc1ccc(OC(F)F)cc1)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000426794695 1126090890 /nfs/dbraw/zinc/09/08/90/1126090890.db2.gz SRLIXGBEJHSFDX-SFHVURJKSA-N 0 0 432.379 4.242 20 5 IIBDRN Cc1ccc(-c2nc(C[NH2+][C@@H](Cc3c[nH]c4ccc([N+](=O)[O-])cc34)C(=O)[O-])cs2)cc1 ZINC000426744198 1126086161 /nfs/dbraw/zinc/08/61/61/1126086161.db2.gz WCYFXUIRNRODRK-FQEVSTJZSA-N 0 0 436.493 4.294 20 5 IIBDRN O=C([O-])[C@@H](Cc1ccc(F)cc1)[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000426747407 1126086485 /nfs/dbraw/zinc/08/64/85/1126086485.db2.gz OZCAZTMJIGKJJN-LJQANCHMSA-N 0 0 428.391 4.451 20 5 IIBDRN O=[N+]([O-])c1cccc(-c2nc(CN[C@H](Cc3ccccc3)[C@@H](O)C(F)(F)F)cs2)c1 ZINC000609707713 1126100589 /nfs/dbraw/zinc/10/05/89/1126100589.db2.gz UUQOCVQJGGFWMN-QZTJIDSGSA-N 0 0 437.443 4.342 20 5 IIBDRN COC(=O)[C@@]1(C)CCCN1C(F)(F)c1cnc(Cl)c(-c2cccc([N+](=O)[O-])c2)c1 ZINC001164390848 718806065 /nfs/dbraw/zinc/80/60/65/718806065.db2.gz RUBXGNASSCHDCR-GOSISDBHSA-N 0 0 425.819 4.387 20 5 IIBDRN O=[N+]([O-])c1ccc(-c2cc(C(F)(F)N3CCC4(C[C@@H]4CCO)CC3)c(Cl)nn2)cc1 ZINC001164393742 718812340 /nfs/dbraw/zinc/81/23/40/718812340.db2.gz VJQPYOAQBOBSDI-AWEZNQCLSA-N 0 0 438.862 4.239 20 5 IIBDRN O=[N+]([O-])c1ccc(C(F)(F)N2CCO[C@@H]3[C@@H](OCC4CCCC4)CC[C@@H]32)nc1Cl ZINC001164663160 719342784 /nfs/dbraw/zinc/34/27/84/719342784.db2.gz VHLLBTMTFNDNBA-QRTARXTBSA-N 0 0 431.867 4.131 20 5 IIBDRN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(C)cc(C)c1[N+](=O)[O-])CC2 ZINC001164658979 719351278 /nfs/dbraw/zinc/35/12/78/719351278.db2.gz OFWJGQXTSVFFJM-UHFFFAOYSA-N 0 0 446.555 4.301 20 5 IIBDRN CN(Cc1ccco1)Cc1cncc2c1CCN(c1nccc3cc([N+](=O)[O-])ccc31)C2 ZINC001164909530 721765341 /nfs/dbraw/zinc/76/53/41/721765341.db2.gz BTEMTTTZODIJHT-UHFFFAOYSA-N 0 0 429.480 4.326 20 5 IIBDRN O=C(NCC1CC1)[C@H]1CCC2(C1)CCN(C(F)(F)c1cc([N+](=O)[O-])cnc1Cl)CC2 ZINC001164974208 722091346 /nfs/dbraw/zinc/09/13/46/722091346.db2.gz NVDGXDXWEPKDGK-AWEZNQCLSA-N 0 0 442.894 4.101 20 5 IIBDRN O=C([O-])[C@H](Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[NH2+]Cc1ccc(-c2c(F)cccc2F)o1 ZINC000426735755 1126084915 /nfs/dbraw/zinc/08/49/15/1126084915.db2.gz VBCROCVZZZPBLR-IBGZPJMESA-N 0 0 441.390 4.400 20 5 IIBDRN COc1ccc(C[NH2+][C@H](Cc2csc(-c3ccccc3Cl)n2)C(=O)[O-])cc1[N+](=O)[O-] ZINC000426738733 1126085196 /nfs/dbraw/zinc/08/51/96/1126085196.db2.gz YKCVVEQTDQBILM-MRXNPFEDSA-N 0 0 447.900 4.166 20 5 IIBDRN O=C([O-])[C@@H](Cc1cccc(Br)c1)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000426763371 1126089056 /nfs/dbraw/zinc/08/90/56/1126089056.db2.gz ROAIYNRGMYJNID-QGZVFWFLSA-N 0 0 445.269 4.403 20 5 IIBDRN O=C([O-])[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1csc(COc2ccc(Cl)cc2)n1 ZINC000426783429 1126090239 /nfs/dbraw/zinc/09/02/39/1126090239.db2.gz LEHBJYOQNTVAJX-SFHVURJKSA-N 0 0 447.900 4.069 20 5 IIBDRN COc1cc(C[C@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C(=O)[O-])cc(OC)c1 ZINC000426797626 1126091048 /nfs/dbraw/zinc/09/10/48/1126091048.db2.gz BNZLGBWOOVVVOR-FQEVSTJZSA-N 0 0 442.493 4.126 20 5 IIBDRN O=C([O-])[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000426800996 1126091224 /nfs/dbraw/zinc/09/12/24/1126091224.db2.gz PRCWHCLGUDRCHF-HNNXBMFYSA-N 0 0 436.308 4.418 20 5 IIBDRN CC(C)n1nc(CN(C)C)c2c1CN(c1cc(Cl)nc3ccc([N+](=O)[O-])cc31)CC2 ZINC001164650250 719315732 /nfs/dbraw/zinc/31/57/32/719315732.db2.gz AWNSZVDHDOGHBU-UHFFFAOYSA-N 0 0 428.924 4.198 20 5 IIBDRN Cc1nc(CN2CCO[C@@H]3CCN(c4ccc5ccc6cccnc6c5n4)CC[C@H]32)cs1 ZINC001164983046 722178436 /nfs/dbraw/zinc/17/84/36/722178436.db2.gz BCJOTHOCVAPXLW-FGZHOGPDSA-N 0 0 445.592 4.418 20 5 IIBDRN COc1ccc(-c2ccc(C[NH2+][C@@H](Cc3c[nH]c4ccccc34)C(=O)[O-])o2)c([N+](=O)[O-])c1 ZINC000426650125 1126081344 /nfs/dbraw/zinc/08/13/44/1126081344.db2.gz ZUZBOPSEZGAUFY-FQEVSTJZSA-N 0 0 435.436 4.130 20 5 IIBDRN O=C([O-])[C@@H](Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[NH2+]Cc1cc(C(F)(F)F)ccc1F ZINC000426720279 1126082070 /nfs/dbraw/zinc/08/20/70/1126082070.db2.gz LTBHRWQJBKLNFF-QGZVFWFLSA-N 0 0 425.338 4.020 20 5 IIBDRN O=C([O-])[C@H](Cc1cccc(Br)c1)[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000426748987 1126086762 /nfs/dbraw/zinc/08/67/62/1126086762.db2.gz BSHYTRAMVMWKED-SFHVURJKSA-N 0 0 445.269 4.403 20 5 IIBDRN