smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COC(=O)[C@H]([N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)c1ccc2ccccc2c1 ZINC001309338214 1070708141 /nfs/dbraw/zinc/70/81/41/1070708141.db2.gz NKODIFLYFZHQEH-GOSISDBHSA-N -1 0 452.847 3.733 20 5 JHBDRM COC(=O)[C@@H]([N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)c1ccc2ccccc2c1 ZINC001309338216 1070708387 /nfs/dbraw/zinc/70/83/87/1070708387.db2.gz NKODIFLYFZHQEH-SFHVURJKSA-N -1 0 452.847 3.733 20 5 JHBDRM C[C@@](CO)([N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC001309497018 1070811167 /nfs/dbraw/zinc/81/11/67/1070811167.db2.gz LLVQKPPIAZRPRD-HNNXBMFYSA-N -1 0 457.694 3.880 20 5 JHBDRM COc1ccc(NC(=O)Cc2cccc([N+](=O)[O-])c2)cc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC001306229806 1068614998 /nfs/dbraw/zinc/61/49/98/1068614998.db2.gz HTLITXXFZYSBPX-UHFFFAOYSA-N -1 0 459.455 3.725 20 5 JHBDRM Cc1c(NC(=O)N2CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C2)cc([N+](=O)[O-])cc1C(F)(F)F ZINC001311259670 1069310887 /nfs/dbraw/zinc/31/08/87/1069310887.db2.gz ZVBYHNFFWPSVQD-OQPBUACISA-N -1 0 456.343 3.843 20 5 JHBDRM Cc1nc(C(C)(C)[N-]S(=O)(=O)c2cc(Br)c(F)cc2[N+](=O)[O-])sc1C ZINC001309200677 1070601383 /nfs/dbraw/zinc/60/13/83/1070601383.db2.gz JXSSNBNNHJZPLM-UHFFFAOYSA-N -1 0 452.327 3.783 20 5 JHBDRM COC(=O)[C@H]([N-]S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1)c1ccc(Cl)c(F)c1 ZINC001309324123 1070699276 /nfs/dbraw/zinc/69/92/76/1070699276.db2.gz CCDSQRDPDLEBPM-OAHLLOKOSA-N -1 0 451.259 3.542 20 5 JHBDRM CCCN(Cc1nnc(-c2ccccc2Cl)o1)S(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC001309220822 1070620500 /nfs/dbraw/zinc/62/05/00/1070620500.db2.gz XNNQCJBJTQCCHB-UHFFFAOYSA-N -1 0 452.876 3.605 20 5 JHBDRM O=C(OCc1ccccc1)[C@H](C[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1ccccc1 ZINC001309414984 1070755427 /nfs/dbraw/zinc/75/54/27/1070755427.db2.gz MQRLECXKVMENPZ-GOSISDBHSA-N -1 0 458.467 3.539 20 5 JHBDRM CCOC(=O)[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)C1CCCCCC1 ZINC001309632081 1070892843 /nfs/dbraw/zinc/89/28/43/1070892843.db2.gz KYIZQTLPWMTOMT-INIZCTEOSA-N -1 0 452.451 3.794 20 5 JHBDRM CN([C@H]1CCSc2ccc(Br)cc21)S(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC001309171001 1070583395 /nfs/dbraw/zinc/58/33/95/1070583395.db2.gz MPSAEJILGHVJDS-ZDUSSCGKSA-N -1 0 459.343 3.921 20 5 JHBDRM COc1cccc(Cl)c1C[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-] ZINC001309400384 1070747282 /nfs/dbraw/zinc/74/72/82/1070747282.db2.gz FUIFFZPDTNIOJN-UHFFFAOYSA-N -1 0 453.673 3.637 20 5 JHBDRM CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)C1 ZINC001309416993 1070756268 /nfs/dbraw/zinc/75/62/68/1070756268.db2.gz AVCPRALMLAOZBO-GHMZBOCLSA-N -1 0 451.904 3.502 20 5 JHBDRM O=C([N-][C@@H]1CCO[C@H]1C1CCN(c2c3cc(Cl)ccc3ncc2[N+](=O)[O-])CC1)C(F)(F)F ZINC001307116118 1069894170 /nfs/dbraw/zinc/89/41/70/1069894170.db2.gz FDXMGBBDORJHCB-QAPCUYQASA-N -1 0 472.851 3.849 20 5 JHBDRM COC(=O)C[C@@H]([N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC001309090531 1070534357 /nfs/dbraw/zinc/53/43/57/1070534357.db2.gz FXWLCTOKLPAADT-CYBMUJFWSA-N -1 0 451.259 3.623 20 5 JHBDRM C[C@](CO)([N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC001309497019 1070811244 /nfs/dbraw/zinc/81/12/44/1070811244.db2.gz LLVQKPPIAZRPRD-OAHLLOKOSA-N -1 0 457.694 3.880 20 5 JHBDRM O=[N+]([O-])c1cccc([C@H]([N-]S(=O)(=O)c2c[nH]c3nccc(Cl)c32)C(F)(F)F)c1F ZINC001309586592 1070870170 /nfs/dbraw/zinc/87/01/70/1070870170.db2.gz GRSHFRTVVXYTAQ-ZDUSSCGKSA-N -1 0 452.773 3.846 20 5 JHBDRM O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)c2ncco2)c(Br)c1 ZINC001309625217 1070889152 /nfs/dbraw/zinc/88/91/52/1070889152.db2.gz CZPRAZAAONMBOI-HNNXBMFYSA-N -1 0 452.286 3.608 20 5 JHBDRM Cn1ccnc1[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)c1ccc(Cl)cc1 ZINC001309022581 1070489894 /nfs/dbraw/zinc/48/98/94/1070489894.db2.gz SJKIWANXONOWLP-INIZCTEOSA-N -1 0 459.286 3.842 20 5 JHBDRM Cc1nc([C@@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)c2ccc(Cl)cc2)no1 ZINC001309357811 1070720032 /nfs/dbraw/zinc/72/00/32/1070720032.db2.gz LEGOTUGLVCFQMP-INIZCTEOSA-N -1 0 457.295 3.969 20 5 JHBDRM CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)C1 ZINC001309416994 1070756463 /nfs/dbraw/zinc/75/64/63/1070756463.db2.gz AVCPRALMLAOZBO-MNOVXSKESA-N -1 0 451.904 3.502 20 5 JHBDRM CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC001309606070 1070880483 /nfs/dbraw/zinc/88/04/83/1070880483.db2.gz LVWXNDMVMGYRIM-CHWSQXEVSA-N -1 0 451.904 3.502 20 5 JHBDRM C[C@]1(Cc2cccc(Br)c2)CCCN1S(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC001309868857 1071000569 /nfs/dbraw/zinc/00/05/69/1071000569.db2.gz BSAWZOGNZCGMDH-GOSISDBHSA-N -1 0 455.330 3.849 20 5 JHBDRM CC1(c2ccc(Br)cc2)CCN(S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)CC1 ZINC001309431886 1070765999 /nfs/dbraw/zinc/76/59/99/1070765999.db2.gz IQMZOEUHWHYDLL-UHFFFAOYSA-N -1 0 455.330 3.805 20 5 JHBDRM O=[N+]([O-])c1cccc([C@@H]([N-]S(=O)(=O)c2c[nH]c3nccc(Cl)c32)C(F)(F)F)c1F ZINC001309586588 1070870639 /nfs/dbraw/zinc/87/06/39/1070870639.db2.gz GRSHFRTVVXYTAQ-CYBMUJFWSA-N -1 0 452.773 3.846 20 5 JHBDRM CCOC(=O)[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)C1CCCCCC1 ZINC001309632083 1070892808 /nfs/dbraw/zinc/89/28/08/1070892808.db2.gz KYIZQTLPWMTOMT-MRXNPFEDSA-N -1 0 452.451 3.794 20 5 JHBDRM O=C1CCCN1Cc1ccc(C[N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])cc1 ZINC001309082896 1070528809 /nfs/dbraw/zinc/52/88/09/1070528809.db2.gz IDLDSVSUGQQCKW-UHFFFAOYSA-N -1 0 458.323 3.503 20 5 JHBDRM Cc1nc([C@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)c2ccc(Cl)cc2)no1 ZINC001309357812 1070720119 /nfs/dbraw/zinc/72/01/19/1070720119.db2.gz LEGOTUGLVCFQMP-MRXNPFEDSA-N -1 0 457.295 3.969 20 5 JHBDRM CCc1[n-]n(Cc2ccccc2C)c(=O)c1CCNC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC001306839783 1069653710 /nfs/dbraw/zinc/65/37/10/1069653710.db2.gz PEHBGQDTCWYHAZ-SFHVURJKSA-N -1 0 459.506 3.996 20 5 JHBDRM COc1ccc([C@@H]2CCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)C[C@@H]2[N-]C(=O)C(F)(F)F)cc1F ZINC001307160711 1069901559 /nfs/dbraw/zinc/90/15/59/1069901559.db2.gz MKVOLZFYEKAMDM-GUYCJALGSA-N -1 0 481.406 3.660 20 5 JHBDRM C[C@@H](CCCNC(=O)OC(C)(C)C)[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC001309528850 1070831298 /nfs/dbraw/zinc/83/12/98/1070831298.db2.gz FVRVKHXQQRGVBI-JTQLQIEISA-N -1 0 456.348 3.873 20 5 JHBDRM O=[N+]([O-])c1ccc(CCS(=O)(=O)[N-][C@@H](c2ccccc2OC(F)F)C(F)(F)F)cc1 ZINC001309357977 1070720172 /nfs/dbraw/zinc/72/01/72/1070720172.db2.gz GUDGTGKMKDGPKY-HNNXBMFYSA-N -1 0 454.373 3.962 20 5 JHBDRM C[C@H](CCCNC(=O)OC(C)(C)C)[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC001309528851 1070831142 /nfs/dbraw/zinc/83/11/42/1070831142.db2.gz FVRVKHXQQRGVBI-SNVBAGLBSA-N -1 0 456.348 3.873 20 5 JHBDRM O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)c2ncco2)c(Br)c1 ZINC001309625218 1070889391 /nfs/dbraw/zinc/88/93/91/1070889391.db2.gz CZPRAZAAONMBOI-OAHLLOKOSA-N -1 0 452.286 3.608 20 5 JHBDRM O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]CCc1cccc2c1OC(F)(F)O2 ZINC001309693610 1070926754 /nfs/dbraw/zinc/92/67/54/1070926754.db2.gz WWJGVJKSFDTAPJ-UHFFFAOYSA-N -1 0 455.222 3.744 20 5 JHBDRM O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)[N-]C2CN(c3ccc(C(F)(F)F)cc3)C2)c1 ZINC001309873402 1071002516 /nfs/dbraw/zinc/00/25/16/1071002516.db2.gz CGELPONGGZBXKR-UHFFFAOYSA-N -1 0 453.801 3.573 20 5 JHBDRM COc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2C[C@H]2C2CCC2)ccc1Cl ZINC001306858030 1069663637 /nfs/dbraw/zinc/66/36/37/1069663637.db2.gz AGAYSELGYGNFJI-DOTOQJQBSA-N -1 0 479.942 3.976 20 5 JHBDRM COc1c(Cl)cccc1C[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-] ZINC001309907424 1071011821 /nfs/dbraw/zinc/01/18/21/1071011821.db2.gz IULWQYBUWYCQKE-UHFFFAOYSA-N -1 0 453.673 3.637 20 5 JHBDRM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-]CCSc1ncc(C(F)(F)F)cc1Cl ZINC001309945027 1071025366 /nfs/dbraw/zinc/02/53/66/1071025366.db2.gz KLUBZGCDMFMYJR-UHFFFAOYSA-N -1 0 459.830 3.872 20 5 JHBDRM COc1ccc([C@@H]2CCN(c3ccc(F)cc3[N+](=O)[O-])C[C@@H]2[N-]C(=O)C(F)(F)F)cc1F ZINC001307160962 1069901653 /nfs/dbraw/zinc/90/16/53/1069901653.db2.gz NPILAECJWMIRTR-ZFWWWQNUSA-N -1 0 459.371 3.923 20 5 JHBDRM COc1cc(C(=O)Nc2ncc(C([O-])(C(F)(F)F)C(F)(F)F)s2)cc([N+](=O)[O-])c1C ZINC001306338403 1068775299 /nfs/dbraw/zinc/77/52/99/1068775299.db2.gz BPUAVSOHMKRJPP-UHFFFAOYSA-N -1 0 459.324 3.933 20 5 JHBDRM Cc1cc(S(=O)(=O)[N-]Cc2cccc(C(=O)NCc3ccc(C)cc3)c2)c([N+](=O)[O-])s1 ZINC001309064827 1070518292 /nfs/dbraw/zinc/51/82/92/1070518292.db2.gz VWETZXNCBFTEMW-UHFFFAOYSA-N -1 0 459.549 3.682 20 5 JHBDRM O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-][C@@H]1CCN(c2ncccc2Cl)C1 ZINC001309296134 1070678012 /nfs/dbraw/zinc/67/80/12/1070678012.db2.gz HQUSLNARZDIJDD-SNVBAGLBSA-N -1 0 451.719 3.507 20 5 JHBDRM O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-][C@H]1CCN(c2ncccc2Cl)C1 ZINC001309296133 1070678028 /nfs/dbraw/zinc/67/80/28/1070678028.db2.gz HQUSLNARZDIJDD-JTQLQIEISA-N -1 0 451.719 3.507 20 5 JHBDRM CC(C)(C)OC(=O)NCCCCCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC001309613118 1070884749 /nfs/dbraw/zinc/88/47/49/1070884749.db2.gz UUCLMUOCRBVGQW-UHFFFAOYSA-N -1 0 453.920 3.751 20 5 JHBDRM O=[N+]([O-])c1cc(F)c(Br)cc1S(=O)(=O)[N-]CC(F)(F)c1cccc(F)c1 ZINC001309661014 1070908402 /nfs/dbraw/zinc/90/84/02/1070908402.db2.gz SAFOPAULXPWBPX-UHFFFAOYSA-N -1 0 457.199 3.706 20 5 JHBDRM CCOc1cccc(C[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])c1OC(F)F ZINC001309307539 1070686596 /nfs/dbraw/zinc/68/65/96/1070686596.db2.gz PGQXZLDIQDWQEK-UHFFFAOYSA-N -1 0 454.810 3.866 20 5 JHBDRM O=C(OCc1ccccc1)[C@@H](C[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1ccccc1 ZINC001309414986 1070755262 /nfs/dbraw/zinc/75/52/62/1070755262.db2.gz MQRLECXKVMENPZ-SFHVURJKSA-N -1 0 458.467 3.539 20 5 JHBDRM CC(=O)c1ccc(N2CC[C@@H](c3ccc(F)cc3)[C@@H]([N-]C(=O)C(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC001307163528 1069902245 /nfs/dbraw/zinc/90/22/45/1069902245.db2.gz VXYDAXILQZFTKA-IRXDYDNUSA-N -1 0 453.392 3.978 20 5 JHBDRM CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)C1 ZINC001309416996 1070756433 /nfs/dbraw/zinc/75/64/33/1070756433.db2.gz AVCPRALMLAOZBO-WDEREUQCSA-N -1 0 451.904 3.502 20 5 JHBDRM O=C([N-][C@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC[C@H]1c1cccc(F)c1)C(F)(F)F ZINC001307915060 1070238447 /nfs/dbraw/zinc/23/84/47/1070238447.db2.gz RQPSZCHCQVHUTJ-RDJZCZTQSA-N -1 0 466.391 3.912 20 5 JHBDRM O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]CCNc1ccc(C(F)(F)F)cn1 ZINC001309107535 1070543853 /nfs/dbraw/zinc/54/38/53/1070543853.db2.gz HROGXRXAWIXMAV-UHFFFAOYSA-N -1 0 459.233 3.706 20 5 JHBDRM COc1ccc(OC(F)F)c(C[N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)c1 ZINC001309308674 1070688235 /nfs/dbraw/zinc/68/82/35/1070688235.db2.gz MMDKUZHSMJRMKM-UHFFFAOYSA-N -1 0 457.238 3.990 20 5 JHBDRM O=[N+]([O-])c1ccc(CCS(=O)(=O)[N-][C@H](c2ccccc2OC(F)F)C(F)(F)F)cc1 ZINC001309357978 1070719892 /nfs/dbraw/zinc/71/98/92/1070719892.db2.gz GUDGTGKMKDGPKY-OAHLLOKOSA-N -1 0 454.373 3.962 20 5 JHBDRM CC(C)(C)OC(=O)N[C@H]1CCC[C@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)C1 ZINC001309416995 1070756536 /nfs/dbraw/zinc/75/65/36/1070756536.db2.gz AVCPRALMLAOZBO-QWRGUYRKSA-N -1 0 451.904 3.502 20 5 JHBDRM C[C@@]1(Cc2cccc(Br)c2)CCCN1S(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC001309868858 1071000817 /nfs/dbraw/zinc/00/08/17/1071000817.db2.gz BSAWZOGNZCGMDH-SFHVURJKSA-N -1 0 455.330 3.849 20 5 JHBDRM O=[N+]([O-])c1cc(S(=O)(=O)N2CCC(O)(c3ccc(-c4ccccc4)cc3)CC2)ccc1[O-] ZINC001309456129 1070781280 /nfs/dbraw/zinc/78/12/80/1070781280.db2.gz LJRMGXCEPPHSRW-UHFFFAOYSA-N -1 0 454.504 3.640 20 5 JHBDRM Cn1ccnc1[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)c1ccc(Cl)cc1 ZINC001309022582 1070489851 /nfs/dbraw/zinc/48/98/51/1070489851.db2.gz SJKIWANXONOWLP-MRXNPFEDSA-N -1 0 459.286 3.842 20 5 JHBDRM COC(=O)[C@@H]([N-]S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1)c1ccc(Cl)c(F)c1 ZINC001309324121 1070699361 /nfs/dbraw/zinc/69/93/61/1070699361.db2.gz CCDSQRDPDLEBPM-HNNXBMFYSA-N -1 0 451.259 3.542 20 5 JHBDRM COc1cc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])ccc1OCc1ccc(Br)cc1 ZINC000033471649 521984182 /nfs/dbraw/zinc/98/41/82/521984182.db2.gz CXZIQLNSBYCSBE-YWEYNIOJSA-N -1 0 474.267 3.904 20 5 JHBDRM CN([C@@H]1CCSc2ccc(Br)cc21)S(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC001309171000 1070583239 /nfs/dbraw/zinc/58/32/39/1070583239.db2.gz MPSAEJILGHVJDS-CYBMUJFWSA-N -1 0 459.343 3.921 20 5 JHBDRM CC(C)(C)[C@H]([N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)C(=O)OCc1ccccc1 ZINC001309349739 1070713879 /nfs/dbraw/zinc/71/38/79/1070713879.db2.gz RQMHBISYZSKNQE-QGZVFWFLSA-N -1 0 458.895 3.824 20 5 JHBDRM O=[N+]([O-])c1cc(Br)ccc1CNS(=O)(=O)c1cc(C(F)(F)F)ccc1[O-] ZINC001309810901 1070978669 /nfs/dbraw/zinc/97/86/69/1070978669.db2.gz SPAANICQIZWVPS-UHFFFAOYSA-N -1 0 455.208 3.560 20 5 JHBDRM CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1[C@@H]([N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])C2 ZINC001309941694 1071024018 /nfs/dbraw/zinc/02/40/18/1071024018.db2.gz SOORUQFERZBWOE-WXHSDQCUSA-N -1 0 466.343 3.720 20 5 JHBDRM CCc1[n-]n(Cc2ccccc2C)c(=O)c1CCNC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC001306839782 1069653689 /nfs/dbraw/zinc/65/36/89/1069653689.db2.gz PEHBGQDTCWYHAZ-GOSISDBHSA-N -1 0 459.506 3.996 20 5 JHBDRM COc1ccc(NC(=O)N2CC[C@H](c3ccccc3)[C@H]([N-]C(=O)C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC001310466730 1071408824 /nfs/dbraw/zinc/40/88/24/1071408824.db2.gz ZBYNYLFETCJVFO-HZPDHXFCSA-N -1 0 466.416 3.672 20 5 JHBDRM COC(=O)C[C@H]([N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC001309090542 1070534386 /nfs/dbraw/zinc/53/43/86/1070534386.db2.gz FXWLCTOKLPAADT-ZDUSSCGKSA-N -1 0 451.259 3.623 20 5 JHBDRM