smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([N-][C@H]1C[N@@H+](CCOc2ccccc2[N+](=O)[O-])CC[C@H]1c1ccc(F)cc1)C(F)(F)F ZINC001307921446 1070243187 /nfs/dbraw/zinc/24/31/87/1070243187.db2.gz XKQFRMNPSPLLKE-IRXDYDNUSA-N 0 1 455.408 3.649 20 5 JHBDMN CCOCCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2cnc(C)s2)C[C@H]1CC ZINC001314497816 1070421305 /nfs/dbraw/zinc/42/13/05/1070421305.db2.gz VULCFQUNZBVNPD-LJQANCHMSA-N 0 1 485.614 3.604 20 5 JHBDMN CCS[C@H]1CCCCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H](C)CN2CCOCC2)C1 ZINC001314598685 1070645245 /nfs/dbraw/zinc/64/52/45/1070645245.db2.gz JJBZBTGKRHVTQC-UGKGYDQZSA-N 0 1 488.658 3.934 20 5 JHBDMN CCN1CCN(c2ccc(Cn3c(-c4cccc([N+](=O)[O-])c4)nnc3N(C)CC(C)C)cn2)CC1 ZINC001313933177 1071597251 /nfs/dbraw/zinc/59/72/51/1071597251.db2.gz JRWPKBNKGSKXFA-UHFFFAOYSA-N 0 1 478.601 3.531 20 5 JHBDMN COc1cc2ncnc(N3CCC4(CCCN4Cc4csc(C)n4)CC3)c2cc1[N+](=O)[O-] ZINC001164694365 719808994 /nfs/dbraw/zinc/80/89/94/719808994.db2.gz WDZIWRLGNZUCGQ-UHFFFAOYSA-N 0 1 454.556 3.947 20 5 JHBDMN Cc1noc(C)c1CN1CCOC[C@@]2(CCCN(c3nc(Cl)nc4ccc([N+](=O)[O-])cc43)C2)C1 ZINC001164776418 721342979 /nfs/dbraw/zinc/34/29/79/721342979.db2.gz BECDSSSJDOETSZ-QHCPKHFHSA-N 0 1 486.960 3.915 20 5 JHBDMN Cc1noc(C)c1CN1CCOC[C@]2(CCCN(c3cc([N+](=O)[O-])cc4c(Cl)ncnc43)C2)C1 ZINC001164786139 721376649 /nfs/dbraw/zinc/37/66/49/721376649.db2.gz SVTUEBSFDUXLHY-HSZRJFAPSA-N 0 1 486.960 3.915 20 5 JHBDMN CN1CCN(C[C@H]2CCC[C@]3(CCN(c4ccc5c(ccc(Cl)c5[N+](=O)[O-])n4)C3)O2)CC1 ZINC001164884527 721419038 /nfs/dbraw/zinc/41/90/38/721419038.db2.gz DPFVKNZZTFUCQL-UZUQRXQVSA-N 0 1 459.978 3.562 20 5 JHBDMN Cc1ccc(CN2CCOC3(CCN(c4nc(Cl)nc(Cl)c4[N+](=O)[O-])CC3)C2)cc1 ZINC001164938930 721923362 /nfs/dbraw/zinc/92/33/62/721923362.db2.gz CDWXGXYCDWOABS-UHFFFAOYSA-N 0 1 452.342 3.871 20 5 JHBDMN O=[N+]([O-])c1c(Cl)c2ccccc2nc1N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164982680 722111396 /nfs/dbraw/zinc/11/13/96/722111396.db2.gz XRYXEVLVHPMPLT-FXAWDEMLSA-N 0 1 453.930 3.919 20 5 JHBDMN CC1(C)Cc2c(cnn2-c2ccccc2F)CN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC001307968661 1070263147 /nfs/dbraw/zinc/26/31/47/1070263147.db2.gz XZYVTJMNYHBOIV-GOSISDBHSA-N 0 1 454.502 3.744 20 5 JHBDMN C[C@H]1C[C@@H](CC[N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)C[N@@H+]1Cc1ccccc1 ZINC001309322347 1070697473 /nfs/dbraw/zinc/69/74/73/1070697473.db2.gz NCTMWRAJEZTRSX-GOEBONIOSA-N 0 1 455.939 3.966 20 5 JHBDMN C[C@H]1C[C@@H](CC[N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)C[N@H+]1Cc1ccccc1 ZINC001309322347 1070697476 /nfs/dbraw/zinc/69/74/76/1070697476.db2.gz NCTMWRAJEZTRSX-GOEBONIOSA-N 0 1 455.939 3.966 20 5 JHBDMN C[C@@](CO)(NS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC001309497018 1070811195 /nfs/dbraw/zinc/81/11/95/1070811195.db2.gz LLVQKPPIAZRPRD-HNNXBMFYSA-N 0 1 457.694 3.880 20 5 JHBDMN CN(CCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C2CCC2)CC1)C(=O)OC(C)(C)C ZINC001314849273 1071212034 /nfs/dbraw/zinc/21/20/34/1071212034.db2.gz NZZKGFJOYCPWOF-UHFFFAOYSA-N 0 1 499.616 3.785 20 5 JHBDMN COc1ccc(NC(=O)Cc2cccc([N+](=O)[O-])c2)cc1NS(=O)(=O)c1ccc(F)cc1 ZINC001306229806 1068615005 /nfs/dbraw/zinc/61/50/05/1068615005.db2.gz HTLITXXFZYSBPX-UHFFFAOYSA-N 0 1 459.455 3.725 20 5 JHBDMN CN1CCN(C[C@@H]2CCC[C@@]3(CCN(c4ccc5c(ccc(Cl)c5[N+](=O)[O-])n4)C3)O2)CC1 ZINC001164884524 721418749 /nfs/dbraw/zinc/41/87/49/721418749.db2.gz DPFVKNZZTFUCQL-SBUREZEXSA-N 0 1 459.978 3.562 20 5 JHBDMN CN1CCN(C[C@@H]2CCC[C@]3(CCN(c4ccc5c(ccc(Cl)c5[N+](=O)[O-])n4)C3)O2)CC1 ZINC001164884520 721419049 /nfs/dbraw/zinc/41/90/49/721419049.db2.gz DPFVKNZZTFUCQL-GAJHUEQPSA-N 0 1 459.978 3.562 20 5 JHBDMN Cc1c(NC(=O)N2CC[C@@H](C)[C@@H](NC(=O)C(F)(F)F)C2)cc([N+](=O)[O-])cc1C(F)(F)F ZINC001311259670 1069310905 /nfs/dbraw/zinc/31/09/05/1069310905.db2.gz ZVBYHNFFWPSVQD-OQPBUACISA-N 0 1 456.343 3.843 20 5 JHBDMN Cc1ccc([C@H](CNC(=O)NCc2ccc(Br)cc2[N+](=O)[O-])N2CCCC2)o1 ZINC001311809565 1069554201 /nfs/dbraw/zinc/55/42/01/1069554201.db2.gz LMPJRGXHQAOHDY-KRWDZBQOSA-N 0 1 451.321 3.895 20 5 JHBDMN Cc1ccc([C@@H](CNC(=O)NCc2ccc(Br)cc2[N+](=O)[O-])N2CCCC2)o1 ZINC001311809566 1069554355 /nfs/dbraw/zinc/55/43/55/1069554355.db2.gz LMPJRGXHQAOHDY-QGZVFWFLSA-N 0 1 451.321 3.895 20 5 JHBDMN CN1CCN(CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C[C@H]1Cc1ccccc1 ZINC001307750637 1070165912 /nfs/dbraw/zinc/16/59/12/1070165912.db2.gz VLFQSLAXMNLWAH-HXUWFJFHSA-N 0 1 451.552 3.516 20 5 JHBDMN Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2C[C@@H](c3ccccc3)[C@H](C(N)=O)C2)c([N+](=O)[O-])c1 ZINC001307844724 1070209809 /nfs/dbraw/zinc/20/98/09/1070209809.db2.gz SBHRDAOSKJEGKT-YZUZCNPQSA-N 0 1 458.518 3.784 20 5 JHBDMN COc1cc(CNC[C@@H](O)C(F)(F)C(F)(F)F)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC001308502075 1070382360 /nfs/dbraw/zinc/38/23/60/1070382360.db2.gz WPSIEPCSNYUTHE-QGZVFWFLSA-N 0 1 450.360 3.831 20 5 JHBDMN CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H](C)CNC(=O)OC(C)(C)C)C[C@H]1C ZINC001313934005 1071600614 /nfs/dbraw/zinc/60/06/14/1071600614.db2.gz RBKCTTZLAUWRAD-ZWKOTPCHSA-N 0 1 487.605 3.545 20 5 JHBDMN CC[C@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2C[C@@H](C)O[C@@H](C)C2)CCN1CCOC ZINC001306405291 1068872337 /nfs/dbraw/zinc/87/23/37/1068872337.db2.gz CQZWJANBFWUPJX-IIZPIQPGSA-N 0 1 486.617 3.604 20 5 JHBDMN COc1cccc(OC)c1CN1CCC(N(C)c2cc(/C=C/N(C)C)c([N+](=O)[O-])cn2)CC1 ZINC001165022769 721843542 /nfs/dbraw/zinc/84/35/42/721843542.db2.gz UHGZXHTYUCEKJB-FMIVXFBMSA-N 0 1 455.559 3.640 20 5 JHBDMN O=[N+]([O-])c1c(Cl)c2ccccc2nc1N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164982689 722111498 /nfs/dbraw/zinc/11/14/98/722111498.db2.gz XRYXEVLVHPMPLT-XLIONFOSSA-N 0 1 453.930 3.919 20 5 JHBDMN Cc1ccc(NC(=O)[C@@H](c2ccccc2)N(C)CC(C)(C)CN2CCOCC2)c([N+](=O)[O-])c1 ZINC001307603697 1070077382 /nfs/dbraw/zinc/07/73/82/1070077382.db2.gz QXPWXBMNRKFRSP-HSZRJFAPSA-N 0 1 454.571 3.873 20 5 JHBDMN Cc1nc(C(C)(C)NS(=O)(=O)c2cc(Br)c(F)cc2[N+](=O)[O-])sc1C ZINC001309200677 1070601391 /nfs/dbraw/zinc/60/13/91/1070601391.db2.gz JXSSNBNNHJZPLM-UHFFFAOYSA-N 0 1 452.327 3.783 20 5 JHBDMN COC(=O)[C@H](NS(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1)c1ccc(Cl)c(F)c1 ZINC001309324123 1070699294 /nfs/dbraw/zinc/69/92/94/1070699294.db2.gz CCDSQRDPDLEBPM-OAHLLOKOSA-N 0 1 451.259 3.542 20 5 JHBDMN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC001309356892 1070719493 /nfs/dbraw/zinc/71/94/93/1070719493.db2.gz FIASHMBAYFMAFR-AWEZNQCLSA-N 0 1 453.952 3.982 20 5 JHBDMN O=[N+]([O-])c1c(Cl)nc(C(F)(F)F)nc1N1CCN2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164908562 721554187 /nfs/dbraw/zinc/55/41/87/721554187.db2.gz QIQTWOZVRDENOH-DGCLKSJQSA-N 0 1 461.803 3.538 20 5 JHBDMN C[C@@H](NC(=O)NCCCCc1ccc([N+](=O)[O-])cc1)c1cc(F)ccc1N1CCN(C)CC1 ZINC001311818957 1069558528 /nfs/dbraw/zinc/55/85/28/1069558528.db2.gz AFUTWHAZMBLPAZ-GOSISDBHSA-N 0 1 457.550 3.869 20 5 JHBDMN CCOC(=O)c1cc([N+](=O)[O-])c(N2CC[C@]3(C2)CN(Cc2ccccc2)C[C@H](C)O3)cc1C ZINC001307195442 1069906281 /nfs/dbraw/zinc/90/62/81/1069906281.db2.gz JHHQMHZJQGKMDR-UQBPGWFLSA-N 0 1 453.539 3.950 20 5 JHBDMN CCOC(=O)C1C(CN[C@H](C)c2cccc([N+](=O)[O-])c2)=NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC001307623720 1070085964 /nfs/dbraw/zinc/08/59/64/1070085964.db2.gz YXJLZHLCLVBJGA-XCLFUZPHSA-N 0 1 458.902 3.770 20 5 JHBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CCC[C@@H](c2nc(C3CCCCC3)n[nH]2)C1 ZINC001307629482 1070089800 /nfs/dbraw/zinc/08/98/00/1070089800.db2.gz RZRVNBNKHWBWPM-NVXWUHKLSA-N 0 1 456.547 3.976 20 5 JHBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC001307629482 1070089814 /nfs/dbraw/zinc/08/98/14/1070089814.db2.gz RZRVNBNKHWBWPM-NVXWUHKLSA-N 0 1 456.547 3.976 20 5 JHBDMN C[C@H](c1ccccc1[N+](=O)[O-])N1CCC(c2nnc3n2CCN(C(=O)OC(C)(C)C)C3)CC1 ZINC001307719044 1070144411 /nfs/dbraw/zinc/14/44/11/1070144411.db2.gz IDSFFVBSGWYNST-MRXNPFEDSA-N 0 1 456.547 3.878 20 5 JHBDMN COc1ccc(-c2ccc(CNc3cccc(CN4CCC[C@@H]4C(N)=O)c3)o2)c([N+](=O)[O-])c1 ZINC001308325080 1070356307 /nfs/dbraw/zinc/35/63/07/1070356307.db2.gz TYEWXKMXMCAZTD-OAQYLSRUSA-N 0 1 450.495 3.925 20 5 JHBDMN O=C(OCc1ccccc1)[C@H](CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1ccccc1 ZINC001309414984 1070755440 /nfs/dbraw/zinc/75/54/40/1070755440.db2.gz MQRLECXKVMENPZ-GOSISDBHSA-N 0 1 458.467 3.539 20 5 JHBDMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001310364985 1071341554 /nfs/dbraw/zinc/34/15/54/1071341554.db2.gz TWMAJANGOZMMGQ-UHFFFAOYSA-N 0 1 453.543 3.942 20 5 JHBDMN O=[N+]([O-])c1cc(F)c(Oc2ccnc(Cl)c2)cc1N1CCN2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164740141 720697618 /nfs/dbraw/zinc/69/76/18/720697618.db2.gz QHSQVIRUQOZKDV-GOEBONIOSA-N 0 1 486.891 3.707 20 5 JHBDMN CN1CCN(C[C@H]2CCC[C@]3(CCN(c4nc5ccccc5c(Cl)c4[N+](=O)[O-])C3)O2)CC1 ZINC001164888803 721405225 /nfs/dbraw/zinc/40/52/25/721405225.db2.gz OQVQYTVESCYSAA-UZUQRXQVSA-N 0 1 459.978 3.562 20 5 JHBDMN COc1cc2ncnc(N3CCC4(CC3)CN(Cc3ccc(C)cc3)CCO4)c2cc1[N+](=O)[O-] ZINC001164940863 721926474 /nfs/dbraw/zinc/92/64/74/721926474.db2.gz VIAJPQSLMORQRC-UHFFFAOYSA-N 0 1 463.538 3.726 20 5 JHBDMN O=C(Nc1nc(SCCO)n[nH]1)c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC001306706818 1069441429 /nfs/dbraw/zinc/44/14/29/1069441429.db2.gz RMZDOVIYIDWSPY-UHFFFAOYSA-N 0 1 451.917 3.854 20 5 JHBDMN CCOC(=O)C1C(CN[C@@H](C)c2cccc([N+](=O)[O-])c2)=NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC001307623717 1070086299 /nfs/dbraw/zinc/08/62/99/1070086299.db2.gz YXJLZHLCLVBJGA-RBZFPXEDSA-N 0 1 458.902 3.770 20 5 JHBDMN CCN(CC)[C@@H](CNS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1)c1ccccc1 ZINC001309014504 1070485523 /nfs/dbraw/zinc/48/55/23/1070485523.db2.gz SSASQMSJURLMSL-SFHVURJKSA-N 0 1 456.362 3.719 20 5 JHBDMN Cc1cc(S(=O)(=O)N(CCN(C)C)Cc2cccc(C(F)(F)F)c2)c([N+](=O)[O-])s1 ZINC001309127921 1070553988 /nfs/dbraw/zinc/55/39/88/1070553988.db2.gz SGNLBWCOTXVCNN-UHFFFAOYSA-N 0 1 451.492 3.736 20 5 JHBDMN COc1cccc(Cl)c1CNS(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-] ZINC001309400384 1070747287 /nfs/dbraw/zinc/74/72/87/1070747287.db2.gz FUIFFZPDTNIOJN-UHFFFAOYSA-N 0 1 453.673 3.637 20 5 JHBDMN CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](NS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)C1 ZINC001309416993 1070756286 /nfs/dbraw/zinc/75/62/86/1070756286.db2.gz AVCPRALMLAOZBO-GHMZBOCLSA-N 0 1 451.904 3.502 20 5 JHBDMN O=C(NCc1nc(-c2ccc(F)cc2)n[nH]1)N[C@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F ZINC001310878729 1069205840 /nfs/dbraw/zinc/20/58/40/1069205840.db2.gz ITHHGYXHLRJLJL-OAHLLOKOSA-N 0 1 456.331 3.761 20 5 JHBDMN O=C(NCc1n[nH]c(-c2ccc(F)cc2)n1)N[C@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F ZINC001310878729 1069205849 /nfs/dbraw/zinc/20/58/49/1069205849.db2.gz ITHHGYXHLRJLJL-OAHLLOKOSA-N 0 1 456.331 3.761 20 5 JHBDMN CN1CCN(c2ccc([N+](=O)[O-])c(NC(=O)NCCc3ccc(C(F)(F)F)cc3)c2)CC1 ZINC001311243354 1069306262 /nfs/dbraw/zinc/30/62/62/1069306262.db2.gz JJBLCMGAGCPFFQ-UHFFFAOYSA-N 0 1 451.449 3.730 20 5 JHBDMN CN1CCN(c2ccc([N+](=O)[O-])c(NC(=O)NCc3ccccc3OC3CCCC3)c2)CC1 ZINC001311242516 1069306373 /nfs/dbraw/zinc/30/63/73/1069306373.db2.gz 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CCc1cc(N2C[C@H](N(C)Cc3cccnc3)[C@H]3OCCC[C@H]32)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164812005 721583831 /nfs/dbraw/zinc/58/38/31/721583831.db2.gz ZNJLNMJEOQGJOA-CUYJMHBOSA-N 0 1 474.565 3.877 20 5 JHBDMN CSc1nc(Cl)c([N+](=O)[O-])c(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)n1 ZINC001164907420 721587146 /nfs/dbraw/zinc/58/71/46/721587146.db2.gz SKUPPNYTSDFRJD-GOSISDBHSA-N 0 1 470.933 3.893 20 5 JHBDMN COc1cccc(OC)c1CN1CCC(N(C)c2cc(/C=C\N(C)C)c([N+](=O)[O-])cn2)CC1 ZINC001165022772 721843374 /nfs/dbraw/zinc/84/33/74/721843374.db2.gz UHGZXHTYUCEKJB-XFXZXTDPSA-N 0 1 455.559 3.640 20 5 JHBDMN CC(C)(NC(=O)NCCCN1CCN(c2cccc(Cl)c2)CC1)c1ccccc1[N+](=O)[O-] ZINC001311905630 1069607769 /nfs/dbraw/zinc/60/77/69/1069607769.db2.gz WTKGAJWPPAWJFN-UHFFFAOYSA-N 0 1 459.978 3.995 20 5 JHBDMN Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCC[C@@H](CN3CCOCC3)C2)c([N+](=O)[O-])c1 ZINC001307714509 1070140580 /nfs/dbraw/zinc/14/05/80/1070140580.db2.gz FZSAZAYWYTXPEX-GBXCKJPGSA-N 0 1 452.555 3.627 20 5 JHBDMN O=C(CCN1CCC[C@H](NC(=O)CCCc2ccccc2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC001307759305 1070171191 /nfs/dbraw/zinc/17/11/91/1070171191.db2.gz IPAKSEOIESEANW-IBGZPJMESA-N 0 1 456.518 3.666 20 5 JHBDMN COC(=O)C[C@H](NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC001309090542 1070534397 /nfs/dbraw/zinc/53/43/97/1070534397.db2.gz FXWLCTOKLPAADT-ZDUSSCGKSA-N 0 1 451.259 3.623 20 5 JHBDMN C[C@@H]1C[C@H](NS(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC001309260287 1070652461 /nfs/dbraw/zinc/65/24/61/1070652461.db2.gz CNADHBCAKPRBLS-RHSMWYFYSA-N 0 1 457.474 3.945 20 5 JHBDMN CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC(C)(C)NC(=O)OC(C)(C)C)C[C@@H]1C ZINC001313934303 1071601660 /nfs/dbraw/zinc/60/16/60/1071601660.db2.gz TWKIVHBIYJFRDL-KRWDZBQOSA-N 0 1 487.605 3.687 20 5 JHBDMN O=[N+]([O-])c1cc(F)c(Oc2ccnc(Cl)c2)cc1N1CCN2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164740145 720698262 /nfs/dbraw/zinc/69/82/62/720698262.db2.gz QHSQVIRUQOZKDV-ZBFHGGJFSA-N 0 1 486.891 3.707 20 5 JHBDMN Cc1noc(C)c1CN1CCOC[C@@]2(CCCN(c3ncc([N+](=O)[O-])c4ccccc43)C2)C1 ZINC001164780080 721347752 /nfs/dbraw/zinc/34/77/52/721347752.db2.gz ZKGDURRTKLVURF-DEOSSOPVSA-N 0 1 451.527 3.867 20 5 JHBDMN