smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COCCN1CCN(C)C2(CCN(c3nc(SC)nc(Cl)c3[N+](=O)[O-])CC2)C1=O ZINC001164633806 719269028 /nfs/dbraw/zinc/26/90/28/719269028.db2.gz IALSKTNEEYFKJU-UHFFFAOYSA-N 0 0 444.945 1.520 20 5 IDBDRN COCCN1CCN(C)C2(CCN(c3cc4ncnc(Cl)c4cc3[N+](=O)[O-])CC2)C1=O ZINC001164633848 719271641 /nfs/dbraw/zinc/27/16/41/719271641.db2.gz IWPRXIAUJJQDRW-UHFFFAOYSA-N 0 0 448.911 1.951 20 5 IDBDRN O=[N+]([O-])c1cc2c(Cl)ncnc2c(N2CCn3c(CN4CCOCC4)nnc3C2)c1 ZINC001164683657 719591004 /nfs/dbraw/zinc/59/10/04/719591004.db2.gz HGUNJFALAXDIBQ-UHFFFAOYSA-N 0 0 430.856 1.635 20 5 IDBDRN COCCNC(=O)[C@H]1Cn2nccc2CN(C(F)(F)c2ccc([N+](=O)[O-])c(Cl)n2)C1 ZINC001164699627 719827868 /nfs/dbraw/zinc/82/78/68/719827868.db2.gz YIXXGTGHRAUABN-LLVKDONJSA-N 0 0 444.826 1.784 20 5 IDBDRN COCCNC(=O)[C@@H]1Cn2nccc2CN(C(F)(F)c2ccc([N+](=O)[O-])c(Cl)n2)C1 ZINC001164699628 719827949 /nfs/dbraw/zinc/82/79/49/719827949.db2.gz YIXXGTGHRAUABN-NSHDSACASA-N 0 0 444.826 1.784 20 5 IDBDRN COC(=O)[C@@]1(C)C[C@H](N2CCOCC2)CCN1c1nc(SC)nc(Cl)c1[N+](=O)[O-] ZINC001164700417 719842633 /nfs/dbraw/zinc/84/26/33/719842633.db2.gz KJCJYJFXRSOJCT-PIGZYNQJSA-N 0 0 445.929 1.993 20 5 IDBDRN COC(=O)[C@]1(C)C[C@@H](N2CCOCC2)CCN1c1nc(SC)nc(Cl)c1[N+](=O)[O-] ZINC001164700416 719842917 /nfs/dbraw/zinc/84/29/17/719842917.db2.gz KJCJYJFXRSOJCT-GTNSWQLSSA-N 0 0 445.929 1.993 20 5 IDBDRN COC(=O)[C@@]1(C)C[C@H](N2CCOCC2)CCN1c1nc(Cl)nc(SC)c1[N+](=O)[O-] ZINC001164698847 719857476 /nfs/dbraw/zinc/85/74/76/719857476.db2.gz DXBARJPCVTZCHR-PIGZYNQJSA-N 0 0 445.929 1.993 20 5 IDBDRN Cn1nc(C(=O)N2CCN(C)CC2)c2c1CN(c1ccc3c(cccc3[N+](=O)[O-])n1)CC2 ZINC001164709357 719907232 /nfs/dbraw/zinc/90/72/32/719907232.db2.gz UJFBRAPXEMGXIR-UHFFFAOYSA-N 0 0 435.488 1.827 20 5 IDBDRN Cn1nc(C(=O)N2CCN(C)CC2)c2c1CN(c1ncnc3cccc([N+](=O)[O-])c31)CC2 ZINC001164708832 719934554 /nfs/dbraw/zinc/93/45/54/719934554.db2.gz TVQBOIUOYLCAAT-UHFFFAOYSA-N 0 0 436.476 1.222 20 5 IDBDRN Cn1nc(C(=O)N2CCN(C)CC2)c2c1CN(c1cnc3ccc([N+](=O)[O-])cc3n1)CC2 ZINC001164704175 719937457 /nfs/dbraw/zinc/93/74/57/719937457.db2.gz OEJGPPIHTZXIMW-UHFFFAOYSA-N 0 0 436.476 1.222 20 5 IDBDRN CNC(=O)CN1CCOC[C@@]2(CCCN(c3cc(/C=C\N(C)C)c([N+](=O)[O-])cn3)C2)C1 ZINC001164721286 720283027 /nfs/dbraw/zinc/28/30/27/720283027.db2.gz JBNWZIAPRBOJGV-DPVXCJKMSA-N 0 0 432.525 1.187 20 5 IDBDRN Cc1nc(CN2CCN(C)C3(CCN(c4ncc([N+](=O)[O-])cc4N)CC3)C2=O)cs1 ZINC001164820732 720377557 /nfs/dbraw/zinc/37/75/57/720377557.db2.gz RYPGNWGLQVYVJD-UHFFFAOYSA-N 0 0 431.522 1.650 20 5 IDBDRN Cc1c(C)c(N2Cc3ncn(C)c3[C@@H](COCCN3CCOCC3)C2)ncc1[N+](=O)[O-] ZINC001164831241 720457117 /nfs/dbraw/zinc/45/71/17/720457117.db2.gz NWMHQMGOZQFNDQ-QGZVFWFLSA-N 0 0 430.509 1.793 20 5 IDBDRN Cn1cnc2c1[C@@H](COCCN1CCOCC1)CN(c1cc([N+](=O)[O-])c3cc[nH]c3n1)C2 ZINC001164829996 720463853 /nfs/dbraw/zinc/46/38/53/720463853.db2.gz IOCUPXGUQLKTOI-OAHLLOKOSA-N 0 0 441.492 1.657 20 5 IDBDRN COc1nc(N2C[C@H](N(C)Cc3cccnc3)[C@H]3OCCC[C@H]32)nc(OC)c1[N+](=O)[O-] ZINC001164804463 721553257 /nfs/dbraw/zinc/55/32/57/721553257.db2.gz JSMZXTPUPVAXTM-VYDXJSESSA-N 0 0 430.465 1.665 20 5 IDBDRN COc1nc(N2C[C@H](N(C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)nc(OC)c1[N+](=O)[O-] ZINC001164804470 721553324 /nfs/dbraw/zinc/55/33/24/721553324.db2.gz JSMZXTPUPVAXTM-ZOBUZTSGSA-N 0 0 430.465 1.665 20 5 IDBDRN O=C(N[C@@H]1CN(C(F)(F)c2cnc(Cl)c([N+](=O)[O-])c2)[C@@H]2COC[C@H]12)c1cnccn1 ZINC001164802228 721597304 /nfs/dbraw/zinc/59/73/04/721597304.db2.gz ULTVCOUDTRXZAC-MPKXVKKWSA-N 0 0 440.794 1.612 20 5 IDBDRN O=C(N[C@@H]1CN(C(F)(F)c2cnc(Cl)c([N+](=O)[O-])c2)[C@@H]2COC[C@@H]12)c1cnccn1 ZINC001164802235 721597331 /nfs/dbraw/zinc/59/73/31/721597331.db2.gz ULTVCOUDTRXZAC-ZKYQVNSYSA-N 0 0 440.794 1.612 20 5 IDBDRN O=[N+]([O-])c1cc(Cl)[n+]([O-])c(N2CCO[C@@]3(C2)COCCN(Cc2cccnc2)C3)c1 ZINC001164914892 721788474 /nfs/dbraw/zinc/78/84/74/721788474.db2.gz HDOFAGNRHUBMPR-IBGZPJMESA-N 0 0 435.868 1.384 20 5 IDBDRN COC(=O)c1ccc([N+](=O)[O-])c(N2CCO[C@@]3(C2)COCCN(Cc2cccnc2)C3)n1 ZINC001164914402 721801545 /nfs/dbraw/zinc/80/15/45/721801545.db2.gz MZNSZCZOBMPHGV-NRFANRHFSA-N 0 0 443.460 1.279 20 5 IDBDRN COc1nc(N2CCO[C@@]3(C2)COCCN(Cc2csc(C)n2)C3)ncc1[N+](=O)[O-] ZINC001164918071 721822525 /nfs/dbraw/zinc/82/25/25/721822525.db2.gz AEXRNNNPIXINJZ-SFHVURJKSA-N 0 0 436.494 1.266 20 5 IDBDRN CCOC(=O)c1ccnc(N2CCN(Cc3nc(OC)cc(OC)n3)CC2)c1[N+](=O)[O-] ZINC001165029412 721851157 /nfs/dbraw/zinc/85/11/57/721851157.db2.gz LSHIWNBLUVUOJM-UHFFFAOYSA-N 0 0 432.437 1.296 20 5 IDBDRN COC(=O)[C@@]1(C)C[C@H](N2CCOCC2)CCN1c1nc(Cl)nc(Cl)c1[N+](=O)[O-] ZINC001164700389 719847331 /nfs/dbraw/zinc/84/73/31/719847331.db2.gz JYKHTSVCJPAOMR-QLJPJBMISA-N 0 0 434.280 1.924 20 5 IDBDRN COC(=O)[C@@]1(C)C[C@@H](N2CCOCC2)CCN1c1ncnc2cc(OC)c([N+](=O)[O-])cc21 ZINC001164700663 719855360 /nfs/dbraw/zinc/85/53/60/719855360.db2.gz ISPMYTLLFDLNJY-LHSJRXKWSA-N 0 0 445.476 1.779 20 5 IDBDRN COC(=O)[C@@]1(C)C[C@H](N2CCOCC2)CCN1c1ncnc2cc(OC)c([N+](=O)[O-])cc21 ZINC001164700667 719855387 /nfs/dbraw/zinc/85/53/87/719855387.db2.gz ISPMYTLLFDLNJY-SPLOXXLWSA-N 0 0 445.476 1.779 20 5 IDBDRN COC(=O)[C@]1(C)C[C@H](N2CCOCC2)CCN1c1nc(Cl)nc(SC)c1[N+](=O)[O-] ZINC001164698843 719857361 /nfs/dbraw/zinc/85/73/61/719857361.db2.gz DXBARJPCVTZCHR-DIFFPNOSSA-N 0 0 445.929 1.993 20 5 IDBDRN Cc1cc(Cl)c([N+](=O)[O-])c(N2CCc3c(C(=O)N4CCN(C)CC4)nn(C)c3C2)n1 ZINC001164708713 719903479 /nfs/dbraw/zinc/90/34/79/719903479.db2.gz IMHIMSWEQYYLEW-UHFFFAOYSA-N 0 0 433.900 1.635 20 5 IDBDRN CCOc1nc(N2CCc3c(C(=O)N4CCN(C)CC4)nn(C)c3C2)ccc1[N+](=O)[O-] ZINC001164708772 719916877 /nfs/dbraw/zinc/91/68/77/719916877.db2.gz PSHAUXVTFMXPAP-UHFFFAOYSA-N 0 0 429.481 1.072 20 5 IDBDRN CNC(=O)CN1CCOC[C@]2(CCCN(c3cc4ncnc(Cl)c4cc3[N+](=O)[O-])C2)C1 ZINC001164718330 720231983 /nfs/dbraw/zinc/23/19/83/720231983.db2.gz DONWJNQHDYBWJV-HXUWFJFHSA-N 0 0 448.911 1.856 20 5 IDBDRN Cc1nc(CN2CCN(C)C3(CCN(c4c(C)c([N+](=O)[O-])cc[n+]4[O-])CC3)C2=O)cs1 ZINC001164820660 720374970 /nfs/dbraw/zinc/37/49/70/720374970.db2.gz QJSZBQWLFWTQKJ-UHFFFAOYSA-N 0 0 446.533 1.615 20 5 IDBDRN Cn1cnc2c1[C@H](COCCN1CCOCC1)CN(c1cc([N+](=O)[O-])cc(Cl)n1)C2 ZINC001164823720 720430432 /nfs/dbraw/zinc/43/04/32/720430432.db2.gz JITBQYWEEBRVJW-AWEZNQCLSA-N 0 0 436.900 1.829 20 5 IDBDRN Cn1cnc2c1[C@@H](COCCN1CCOCC1)CN(c1nc(Cl)ncc1[N+](=O)[O-])C2 ZINC001164828564 720430462 /nfs/dbraw/zinc/43/04/62/720430462.db2.gz XLSPLAMAOUUWPI-CYBMUJFWSA-N 0 0 437.888 1.224 20 5 IDBDRN O=C([C@@H]1C[C@@H]2[C@H](CCN2C(F)(F)c2cnc(Cl)c([N+](=O)[O-])c2)O1)N1CCOCC1 ZINC001164800978 721594770 /nfs/dbraw/zinc/59/47/70/721594770.db2.gz PUUCHGPSFUAORQ-XBFCOCLRSA-N 0 0 432.811 1.783 20 5 IDBDRN O=C([C@@H]1C[C@@H]2[C@@H](CCN2C(F)(F)c2cc([N+](=O)[O-])cnc2Cl)O1)N1CCOCC1 ZINC001164796926 721595455 /nfs/dbraw/zinc/59/54/55/721595455.db2.gz DYVYJDOVFHMVFI-MCIONIFRSA-N 0 0 432.811 1.783 20 5 IDBDRN Cc1nc(Cl)nc(N2CCO[C@]3(C2)COCCN(Cc2cccnc2)C3)c1[N+](=O)[O-] ZINC001164911618 721768442 /nfs/dbraw/zinc/76/84/42/721768442.db2.gz HUPXAFAXEGXWGS-LJQANCHMSA-N 0 0 434.884 1.849 20 5 IDBDRN COc1nc(C)c([N+](=O)[O-])c(N2CCO[C@@]3(C2)COCCN(Cc2cccnc2)C3)n1 ZINC001164915625 721782561 /nfs/dbraw/zinc/78/25/61/721782561.db2.gz MEKLNQJNYGTUFR-FQEVSTJZSA-N 0 0 430.465 1.205 20 5 IDBDRN COC(=O)c1ccnc(N2CCO[C@@]3(C2)COCCN(Cc2cccnc2)C3)c1[N+](=O)[O-] ZINC001164915202 721785556 /nfs/dbraw/zinc/78/55/56/721785556.db2.gz KHBQWPSZKSSOFG-NRFANRHFSA-N 0 0 443.460 1.279 20 5 IDBDRN COc1cc(OC)nc(CN2CCN(c3nc(Cl)nc(SC)c3[N+](=O)[O-])CC2)n1 ZINC001165028520 721848432 /nfs/dbraw/zinc/84/84/32/721848432.db2.gz BKCQKQUISAHNPB-UHFFFAOYSA-N 0 0 441.901 1.890 20 5 IDBDRN CCOC(=O)c1ccnc(N2C[C@H]3OCCN(Cc4c(C)noc4C)[C@H]3C2)c1[N+](=O)[O-] ZINC001164947775 721961750 /nfs/dbraw/zinc/96/17/50/721961750.db2.gz RKMGZYCUXVNGNB-DLBZAZTESA-N 0 0 431.449 1.861 20 5 IDBDRN CN1CC(=O)N(c2cccc(F)c2)C[C@@]12CCN(c1cc([N+](=O)[O-])cc(Cl)[n+]1[O-])C2 ZINC001165006153 722265976 /nfs/dbraw/zinc/26/59/76/722265976.db2.gz HHARGLFPMAQVJW-IBGZPJMESA-N 0 0 435.843 1.948 20 5 IDBDRN COCCN1CCN(C)C2(CCN(C(F)(F)c3cnc(Cl)c([N+](=O)[O-])c3)CC2)C1=O ZINC001164638903 719268709 /nfs/dbraw/zinc/26/87/09/719268709.db2.gz PVQQVCZMSJKUCF-UHFFFAOYSA-N 0 0 447.870 1.948 20 5 IDBDRN COCCN1CCN(C)C2(CCN(c3cc(/C=C\N(C)C)c([N+](=O)[O-])cn3)CC2)C1=O ZINC001164640976 719279878 /nfs/dbraw/zinc/27/98/78/719279878.db2.gz RBDADPLANGFJMA-YVMONPNESA-N 0 0 432.525 1.282 20 5 IDBDRN CSc1nc(Cl)c([N+](=O)[O-])c(N2CCn3c(CN4CCOCC4)nnc3C2)n1 ZINC001164676750 719571889 /nfs/dbraw/zinc/57/18/89/719571889.db2.gz MOJUHGFDDAGKNM-UHFFFAOYSA-N 0 0 426.890 1.204 20 5 IDBDRN Cc1cc([N+](=O)[O-])c(N2CCc3c(C(=O)N4CCN(C)CC4)nn(C)c3C2)nc1Cl ZINC001164702412 719903726 /nfs/dbraw/zinc/90/37/26/719903726.db2.gz FYKSLYAHJIFZDM-UHFFFAOYSA-N 0 0 433.900 1.635 20 5 IDBDRN Cn1nc(C(=O)N2CCN(C)CC2)c2c1CN(c1nccc3ccc([N+](=O)[O-])cc31)CC2 ZINC001164708033 719919475 /nfs/dbraw/zinc/91/94/75/719919475.db2.gz AQSVYCACBCJDIY-UHFFFAOYSA-N 0 0 435.488 1.827 20 5 IDBDRN CNC(=O)CN1CCOC[C@]2(CCCN(c3nc(Cl)nc(Cl)c3[N+](=O)[O-])C2)C1 ZINC001164718494 720229889 /nfs/dbraw/zinc/22/98/89/720229889.db2.gz MLHHRDOBBOAGBW-MRXNPFEDSA-N 0 0 433.296 1.356 20 5 IDBDRN CNC(=O)CN1CCOC[C@]2(CCCN(c3nc(Cl)cc(Cl)c3[N+](=O)[O-])C2)C1 ZINC001164719357 720244124 /nfs/dbraw/zinc/24/41/24/720244124.db2.gz LEQRFQCIHWXVDD-QGZVFWFLSA-N 0 0 432.308 1.961 20 5 IDBDRN Cn1cnc2c1[C@@H](COCCN1CCOCC1)CN(c1cc(Cl)cc([N+](=O)[O-])n1)C2 ZINC001164824055 720445759 /nfs/dbraw/zinc/44/57/59/720445759.db2.gz LNQUDICCYJBCRX-CQSZACIVSA-N 0 0 436.900 1.829 20 5 IDBDRN Cc1cc(C)c([N+](=O)[O-])c(N2Cc3ncn(C)c3[C@@H](COCCN3CCOCC3)C2)n1 ZINC001164831798 720457119 /nfs/dbraw/zinc/45/71/19/720457119.db2.gz QNQWSIQZZIPIEZ-QGZVFWFLSA-N 0 0 430.509 1.793 20 5 IDBDRN O=C([C@@H]1C[C@@H]2[C@H](CCN2C(F)(F)c2cc([N+](=O)[O-])cnc2Cl)O1)N1CCOCC1 ZINC001164796928 721595439 /nfs/dbraw/zinc/59/54/39/721595439.db2.gz DYVYJDOVFHMVFI-RDBSUJKOSA-N 0 0 432.811 1.783 20 5 IDBDRN O=C(N[C@@H]1CN(C(F)(F)c2cc([N+](=O)[O-])cnc2Cl)[C@@H]2COC[C@@H]12)c1cnccn1 ZINC001164802755 721598025 /nfs/dbraw/zinc/59/80/25/721598025.db2.gz UZISKLZQAAQYIY-ZLKJLUDKSA-N 0 0 440.794 1.612 20 5 IDBDRN CN(C)C(=O)COCc1nnc2n1CCN(C(F)(F)c1cc([N+](=O)[O-])cnc1Cl)C2 ZINC001165010310 721723037 /nfs/dbraw/zinc/72/30/37/721723037.db2.gz GCNWHOWYTUQNMK-UHFFFAOYSA-N 0 0 445.814 1.405 20 5 IDBDRN COc1nc(N2CCO[C@]3(C2)COCCN(Cc2csc(C)n2)C3)ccc1[N+](=O)[O-] ZINC001164923584 721824847 /nfs/dbraw/zinc/82/48/47/721824847.db2.gz KAPYFNXKOWKZAW-LJQANCHMSA-N 0 0 435.506 1.871 20 5 IDBDRN COc1cc(N2CCO[C@@]3(C2)COCCN(Cc2csc(C)n2)C3)ncc1[N+](=O)[O-] ZINC001164925544 721826840 /nfs/dbraw/zinc/82/68/40/721826840.db2.gz RXKFNVCTXDDHGS-IBGZPJMESA-N 0 0 435.506 1.871 20 5 IDBDRN 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ZINC001164676774 719570421 /nfs/dbraw/zinc/57/04/21/719570421.db2.gz NXSHWEAUMNGFPO-UHFFFAOYSA-N 0 0 429.815 1.632 20 5 IDBDRN COC(=O)[C@]1(C)C[C@@H](N2CCOCC2)CCN1c1cc(/C=C\N(C)C)c([N+](=O)[O-])cn1 ZINC001164707599 719866985 /nfs/dbraw/zinc/86/69/85/719866985.db2.gz UELIPSULWCEMIV-LQCVIVONSA-N 0 0 433.509 1.755 20 5 IDBDRN Cc1nc(Cl)c([N+](=O)[O-])c(N2CCc3c(C(=O)N4CCN(C)CC4)nn(C)c3C2)n1 ZINC001164701707 719938320 /nfs/dbraw/zinc/93/83/20/719938320.db2.gz ATERSBGLKMMEBP-UHFFFAOYSA-N 0 0 434.888 1.030 20 5 IDBDRN Cc1c(C)c(N2Cc3ncn(C)c3[C@H](COCCN3CCOCC3)C2)ncc1[N+](=O)[O-] ZINC001164831238 720457380 /nfs/dbraw/zinc/45/73/80/720457380.db2.gz NWMHQMGOZQFNDQ-KRWDZBQOSA-N 0 0 430.509 1.793 20 5 IDBDRN COc1nc(N2C[C@H](N(C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)nc(OC)c1[N+](=O)[O-] ZINC001164804467 721553195 /nfs/dbraw/zinc/55/31/95/721553195.db2.gz JSMZXTPUPVAXTM-YQQAZPJKSA-N 0 0 430.465 1.665 20 5 IDBDRN O=C([C@@H]1C[C@@H]2[C@H](CCN2C(F)(F)c2ccc([N+](=O)[O-])c(Cl)n2)O1)N1CCOCC1 ZINC001164797396 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/nfs/dbraw/zinc/82/48/67/721824867.db2.gz KAPYFNXKOWKZAW-IBGZPJMESA-N 0 0 435.506 1.871 20 5 IDBDRN COc1cnc(N2CCO[C@]3(C2)COCCN(Cc2csc(C)n2)C3)c([N+](=O)[O-])c1 ZINC001164924803 721826985 /nfs/dbraw/zinc/82/69/85/721826985.db2.gz OQALFPHFVXXJFQ-LJQANCHMSA-N 0 0 435.506 1.871 20 5 IDBDRN COCCN1CCO[C@H]2CN(C(F)(F)c3cc([N+](=O)[O-])cnc3Cl)CC[C@@H]2C1=O ZINC001164921689 721842302 /nfs/dbraw/zinc/84/23/02/721842302.db2.gz PDGJBYJLFMKHGC-JSGCOSHPSA-N 0 0 434.827 1.888 20 5 IDBDRN COCCN1CCO[C@H]2CN(C(F)(F)c3cc([N+](=O)[O-])cnc3Cl)CC[C@H]2C1=O ZINC001164921692 721842470 /nfs/dbraw/zinc/84/24/70/721842470.db2.gz PDGJBYJLFMKHGC-OCCSQVGLSA-N 0 0 434.827 1.888 20 5 IDBDRN COc1cc(OC)nc(CN2CCN(c3nc(Cl)nc(Cl)c3[N+](=O)[O-])CC2)n1 ZINC001165029611 721846654 /nfs/dbraw/zinc/84/66/54/721846654.db2.gz JHDGQNZOUNHBAY-UHFFFAOYSA-N 0 0 430.252 1.821 20 5 IDBDRN CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2CCC3(CC2)COCCN3Cc2ccn(C)n2)n1 ZINC001164935590 721910145 /nfs/dbraw/zinc/91/01/45/721910145.db2.gz LPJABVZZPFSJDG-UHFFFAOYSA-N 0 0 444.496 1.257 20 5 IDBDRN O=C1NCCN(Cc2ccccc2)C12CCN(c1c(Cl)[n+]([O-])ccc1[N+](=O)[O-])CC2 ZINC001164946951 721974341 /nfs/dbraw/zinc/97/43/41/721974341.db2.gz MKPZGHMKTYAQIK-UHFFFAOYSA-N 0 0 431.880 1.853 20 5 IDBDRN COC(=O)c1ccc([N+](=O)[O-])c(N2CCC3(CC2)C(=O)NCCN3Cc2ccccc2)n1 ZINC001164946454 721981882 /nfs/dbraw/zinc/98/18/82/721981882.db2.gz GCTBIXVLZDPWAP-UHFFFAOYSA-N 0 0 439.472 1.747 20 5 IDBDRN Cn1nc(C(=O)N2CCOCC2)c2c1CN(C(F)(F)c1ccc([N+](=O)[O-])c(Cl)n1)C2 ZINC001164974773 722159639 /nfs/dbraw/zinc/15/96/39/722159639.db2.gz PUDBLHUUJSZGDA-UHFFFAOYSA-N 0 0 442.810 1.914 20 5 IDBDRN CN1CC(=O)N(c2cccc(F)c2)C[C@]12CCN(c1ncc([N+](=O)[O-])cc1[N+](=O)[O-])C2 ZINC001165003487 722262444 /nfs/dbraw/zinc/26/24/44/722262444.db2.gz GQLZUQYVXRPUAB-LJQANCHMSA-N 0 0 430.396 1.965 20 5 IDBDRN