smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccccc2C(=O)[O-])c1C ZINC001600487277 970815859 /nfs/dbraw/zinc/81/58/59/970815859.db2.gz VRQCCUMZUTWUDP-UHFFFAOYSA-N -1 0 314.297 3.162 20 5 DGBDRM C[C@@H](SCc1cccc([N+](=O)[O-])c1Br)C(=O)[O-] ZINC000235309319 949857904 /nfs/dbraw/zinc/85/79/04/949857904.db2.gz DDADRIDSPOBYBV-ZCFIWIBFSA-N -1 0 320.164 3.064 20 5 DGBDRM CC[C@H](OC(=O)[C@]1(C(=O)[O-])CC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC001593625725 953548843 /nfs/dbraw/zinc/54/88/43/953548843.db2.gz RBJBYANUBHADDD-BLLLJJGKSA-N -1 0 321.329 3.090 20 5 DGBDRM C[C@@H](OC(=O)[C@@]1(C(=O)[O-])CC=CCC1)c1cccc([N+](=O)[O-])c1 ZINC001589160140 956403643 /nfs/dbraw/zinc/40/36/43/956403643.db2.gz YSFBTTHAXUIMFF-BZNIZROVSA-N -1 0 319.313 3.010 20 5 DGBDRM C[C@@](CNc1ccc([N+](=O)[O-])cc1F)(C(=O)[O-])c1ccccc1 ZINC001603192902 972295839 /nfs/dbraw/zinc/29/58/39/972295839.db2.gz BNZMOMVVGDUNSC-INIZCTEOSA-N -1 0 318.304 3.188 20 5 DGBDRM Cc1cc(C)c([N+](=O)[O-])cc1C(=O)Nc1sccc1C(=O)[O-] ZINC001594294572 957863795 /nfs/dbraw/zinc/86/37/95/957863795.db2.gz VTGFDBGCLVADNB-UHFFFAOYSA-N -1 0 320.326 3.224 20 5 DGBDRM Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1ccc(C(=O)[O-])cc1 ZINC001594294612 957863987 /nfs/dbraw/zinc/86/39/87/957863987.db2.gz YBORUHIJRBGZMR-UHFFFAOYSA-N -1 0 314.297 3.162 20 5 DGBDRM CSc1ccc(Nc2ncc(C(=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000162336655 959208466 /nfs/dbraw/zinc/20/84/66/959208466.db2.gz AYTWXBAWEIHJOD-UHFFFAOYSA-N -1 0 305.315 3.154 20 5 DGBDRM Cc1ccc(Sc2ncc(C(=O)[O-])cc2[N+](=O)[O-])cc1C ZINC000162465342 959214645 /nfs/dbraw/zinc/21/46/45/959214645.db2.gz LUUVUNMRUWNVBF-UHFFFAOYSA-N -1 0 304.327 3.456 20 5 DGBDRM C[C@@H](SCc1cc([N+](=O)[O-])ccc1C(F)(F)F)C(=O)[O-] ZINC001573641145 959610210 /nfs/dbraw/zinc/61/02/10/959610210.db2.gz PRWZYYSKFRERHE-ZCFIWIBFSA-N -1 0 309.265 3.320 20 5 DGBDRM CC[C@H](OC(=O)C1(CC(=O)[O-])CCC1)c1cccc([N+](=O)[O-])c1 ZINC001573949033 961639297 /nfs/dbraw/zinc/63/92/97/961639297.db2.gz GTHFSHUJAVYDCP-ZDUSSCGKSA-N -1 0 321.329 3.234 20 5 DGBDRM O=C([O-])CCc1cccc(Nc2ncc([N+](=O)[O-])cc2Cl)c1 ZINC001574709358 962695797 /nfs/dbraw/zinc/69/57/97/962695797.db2.gz DFOOTZFRHVFDLL-UHFFFAOYSA-N -1 0 321.720 3.404 20 5 DGBDRM CC[C@@H](CNc1ccc([N+](=O)[O-])c(-c2ccccc2)n1)C(=O)[O-] ZINC001603574638 973713065 /nfs/dbraw/zinc/71/30/65/973713065.db2.gz LFMNQBJNGUJUIG-NSHDSACASA-N -1 0 315.329 3.180 20 5 DGBDRM CCOc1cc(OCc2ccc(C(=O)[O-])cc2)ccc1[N+](=O)[O-] ZINC001603860138 974360684 /nfs/dbraw/zinc/36/06/84/974360684.db2.gz POIAMTXIXGBEAF-UHFFFAOYSA-N -1 0 317.297 3.271 20 5 DGBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NCc2cnc(Cl)s2)c1 ZINC000718881932 977980855 /nfs/dbraw/zinc/98/08/55/977980855.db2.gz OASHBCGSDHEWRO-UHFFFAOYSA-N -1 0 313.722 3.015 20 5 DGBDRM C[C@H](CC(=O)[O-])Sc1c2cc(F)ccc2ncc1[N+](=O)[O-] ZINC001592422028 978035150 /nfs/dbraw/zinc/03/51/50/978035150.db2.gz JLOQZFIBOCNDJM-SSDOTTSWSA-N -1 0 310.306 3.237 20 5 DGBDRM C[C@@H](CSCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C(=O)[O-] ZINC001592830092 979552252 /nfs/dbraw/zinc/55/22/52/979552252.db2.gz HHOVSLWJIAHGKO-VIFPVBQESA-N -1 0 322.342 3.204 20 5 DGBDRM CC[C@@H](CNC(=O)c1cc2ccccc2c2cccnc12)C(=O)[O-] ZINC001595160492 979685531 /nfs/dbraw/zinc/68/55/31/979685531.db2.gz LUZXADOYPFXCFT-LBPRGKRZSA-N -1 0 322.364 3.229 20 5 DGBDRM CC[C@@H]1CCC[C@@]1(C)C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001595435546 981065700 /nfs/dbraw/zinc/06/57/00/981065700.db2.gz LDURLGBLMSNXQL-BDJLRTHQSA-N -1 0 320.345 3.448 20 5 DGBDRM CC[C@H]1CCC[C@]1(C)C(=O)Oc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001595436737 981070733 /nfs/dbraw/zinc/07/07/33/981070733.db2.gz VBRPQWYMTHOQPQ-QFYYESIMSA-N -1 0 321.329 3.415 20 5 DGBDRM CC[C@H]1CCCC[C@@H]1Nc1nc(C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC001595444819 981090877 /nfs/dbraw/zinc/09/08/77/981090877.db2.gz UTTRXAGADWDWPQ-JQWIXIFHSA-N -1 0 307.350 3.377 20 5 DGBDRM CCC[C@H](CC)NC(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1C ZINC001595587508 981542435 /nfs/dbraw/zinc/54/24/35/981542435.db2.gz OXCXEZNGTDLXJM-NSHDSACASA-N -1 0 323.349 3.302 20 5 DGBDRM CCCCCCC(=O)COc1ccc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001595690914 982203321 /nfs/dbraw/zinc/20/33/21/982203321.db2.gz XAFVKDRZJNTJCY-UHFFFAOYSA-N -1 0 309.318 3.211 20 5 DGBDRM CCN(C(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1)C(C)(C)C(=O)[O-] ZINC001596167550 983533094 /nfs/dbraw/zinc/53/30/94/983533094.db2.gz WFOVAKXQVBKPJX-UHFFFAOYSA-N -1 0 322.361 3.044 20 5 DGBDRM CCN(CCSC)c1c(Cl)cc([N+](=O)[O-])cc1C(=O)[O-] ZINC001596347073 983796585 /nfs/dbraw/zinc/79/65/85/983796585.db2.gz BJPVLUVYVOGWOQ-UHFFFAOYSA-N -1 0 318.782 3.136 20 5 DGBDRM C/C(=C/Cl)CSc1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC001588991542 984915053 /nfs/dbraw/zinc/91/50/53/984915053.db2.gz YDPMZXUEPHZVCD-VURMDHGXSA-N -1 0 301.751 3.457 20 5 DGBDRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)c2csc([N+](=O)[O-])c2)c1 ZINC001589532647 987216463 /nfs/dbraw/zinc/21/64/63/987216463.db2.gz SKWWOABFTQEZKP-MRVPVSSYSA-N -1 0 320.326 3.097 20 5 DGBDRM C[C@H](C(=O)Oc1ccc(C(=O)[O-])c([N+](=O)[O-])c1)C1CCCC1 ZINC001589552944 987289056 /nfs/dbraw/zinc/28/90/56/987289056.db2.gz KHQNMKSBODERGO-VIFPVBQESA-N -1 0 307.302 3.025 20 5 DGBDRM CSCCCSCc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001599800239 988164219 /nfs/dbraw/zinc/16/42/19/988164219.db2.gz QVYMRVCENUHHAV-UHFFFAOYSA-N -1 0 301.389 3.279 20 5 DGBDRM CCc1ccc(OC[C@@H]2CCCC[C@@H]2C(=O)[O-])c([N+](=O)[O-])c1 ZINC001597557779 988298577 /nfs/dbraw/zinc/29/85/77/988298577.db2.gz QXRXIMFIOKVOSJ-STQMWFEESA-N -1 0 307.346 3.427 20 5 DGBDRM CCc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(C(=O)[O-])oc1C ZINC001597563821 988318154 /nfs/dbraw/zinc/31/81/54/988318154.db2.gz XAKWRDVDKDSGCZ-UHFFFAOYSA-N -1 0 318.285 3.009 20 5 DGBDRM C[C@H](OC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1)c1cccc([N+](=O)[O-])c1 ZINC001593562089 995649115 /nfs/dbraw/zinc/64/91/15/995649115.db2.gz DOGZRKWDCIBTTO-SRVKXCTJSA-N -1 0 321.329 3.090 20 5 DGBDRM CC1(C)CCC[C@@H]1CCNc1nc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001593903421 996773647 /nfs/dbraw/zinc/77/36/47/996773647.db2.gz SSONTRJRDIHVQY-SNVBAGLBSA-N -1 0 307.350 3.316 20 5 DGBDRM C[C@]1(CNc2c(Cl)cc([N+](=O)[O-])cc2C(=O)[O-])CC1(F)F ZINC001594030500 997596172 /nfs/dbraw/zinc/59/61/72/997596172.db2.gz UURPCPHVJZGXHN-LLVKDONJSA-N -1 0 320.679 3.404 20 5 DGBDRM C[C@@H]1CC[C@@H](Nc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])C[C@H]1C ZINC001594326492 999255082 /nfs/dbraw/zinc/25/50/82/999255082.db2.gz LKJDEUJVGORCPT-NQBHXWOUSA-N -1 0 306.362 3.459 20 5 DGBDRM C[C@H]1CCN(c2c(Cl)cc([N+](=O)[O-])cc2C(=O)[O-])C[C@H]1F ZINC001594432008 999607836 /nfs/dbraw/zinc/60/78/36/999607836.db2.gz PCXARBFLHHDSHT-WRWORJQWSA-N -1 0 316.716 3.131 20 5 DGBDRM CC[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1[O-])c1ccc(F)cc1 ZINC001152050722 1087885985 /nfs/dbraw/zinc/88/59/85/1087885985.db2.gz SMVQFEKUHSFVKK-CQSZACIVSA-N -1 0 318.304 3.321 20 5 DGBDRM Cc1cccc(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])c1O ZINC001153005749 1088136089 /nfs/dbraw/zinc/13/60/89/1088136089.db2.gz NITQTCJJZNTOSY-UHFFFAOYSA-N -1 0 322.704 3.220 20 5 DGBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1cccc2c1CCCC2 ZINC001153456297 1088253017 /nfs/dbraw/zinc/25/30/17/1088253017.db2.gz WHTYZWMVDJKYJZ-UHFFFAOYSA-N -1 0 312.325 3.432 20 5 DGBDRM O=C([O-])c1ccc(NC[C@H]2CCC(F)(F)C2)cc1[N+](=O)[O-] ZINC001162655039 1089861707 /nfs/dbraw/zinc/86/17/07/1089861707.db2.gz HFVKRXZZGDIMMJ-QMMMGPOBSA-N -1 0 300.261 3.140 20 5 DGBDRM CCc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])ccc1F ZINC001157295033 1089902075 /nfs/dbraw/zinc/90/20/75/1089902075.db2.gz CRKJLQHQZXXKGX-UHFFFAOYSA-N -1 0 304.277 3.254 20 5 DGBDRM CNc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(Cl)ccc1[O-] ZINC001163054302 1090062937 /nfs/dbraw/zinc/06/29/37/1090062937.db2.gz JKLBRWHXZPYSAX-UHFFFAOYSA-N -1 0 321.720 3.248 20 5 DGBDRM CC1(CNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)CCCCCC1 ZINC001137845788 1091299174 /nfs/dbraw/zinc/29/91/74/1091299174.db2.gz WVHLWAZAIHJHMV-UHFFFAOYSA-N -1 0 306.362 3.391 20 5 DGBDRM O=C(NCc1ccc2ccccc2c1)c1ccc([N+](=O)[O-])cc1[O-] ZINC001294167614 1091355857 /nfs/dbraw/zinc/35/58/57/1091355857.db2.gz RGURHWRVPVCEBI-UHFFFAOYSA-N -1 0 322.320 3.384 20 5 DGBDRM CC(C)CCC[C@H](C)Oc1nc(=O)[n-]c(Cl)c1[N+](=O)[O-] ZINC001231069623 1091661613 /nfs/dbraw/zinc/66/16/13/1091661613.db2.gz BKBIVPDIVBWMLA-QMMMGPOBSA-N -1 0 303.746 3.337 20 5 DGBDRM CC[C@H]1CCCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC001298622896 1092080553 /nfs/dbraw/zinc/08/05/53/1092080553.db2.gz FVZKYJCAZTUIEA-NWDGAFQWSA-N -1 0 306.362 3.247 20 5 DGBDRM O=C([O-])c1ccc(N[C@@H]2CCCC(F)(F)C2)cc1[N+](=O)[O-] ZINC001169218811 1092595544 /nfs/dbraw/zinc/59/55/44/1092595544.db2.gz MWPNPHFPSNDYSI-SECBINFHSA-N -1 0 300.261 3.283 20 5 DGBDRM O=C([O-])c1ccc(N[C@H](C2CCC2)C(F)(F)F)cc1[N+](=O)[O-] ZINC001169287716 1092629541 /nfs/dbraw/zinc/62/95/41/1092629541.db2.gz LYLKSFOJZLAOFM-LLVKDONJSA-N -1 0 318.251 3.436 20 5 DGBDRM O=[N+]([O-])c1cc(Nc2ccccc2C2OCCO2)ccc1[O-] ZINC001210397544 1093153832 /nfs/dbraw/zinc/15/38/32/1093153832.db2.gz AGWUQXLFIRHZNS-UHFFFAOYSA-N -1 0 302.286 3.089 20 5 DGBDRM CCOC(=O)c1ncsc1[N-]c1ccc(F)cc1[N+](=O)[O-] ZINC001210952806 1093333958 /nfs/dbraw/zinc/33/39/58/1093333958.db2.gz QRYIAWRCXBTMPW-UHFFFAOYSA-N -1 0 311.294 3.111 20 5 DGBDRM O=[N+]([O-])c1cc(F)ccc1[N-]c1nccnc1C(F)(F)F ZINC001210952597 1093334263 /nfs/dbraw/zinc/33/42/63/1093334263.db2.gz LJBSYFHTFKKBGL-UHFFFAOYSA-N -1 0 302.187 3.286 20 5 DGBDRM O=c1ccn(-c2ccc(Nc3ccc(F)c([N+](=O)[O-])c3)cc2)[n-]1 ZINC001211198361 1093415498 /nfs/dbraw/zinc/41/54/98/1093415498.db2.gz IYVXGRKCYOMZJH-UHFFFAOYSA-N -1 0 314.276 3.369 20 5 DGBDRM Cc1cccc(-c2noc(-c3cnc([N+](=O)[O-])c([O-])c3)n2)c1C ZINC001213596066 1093621495 /nfs/dbraw/zinc/62/14/95/1093621495.db2.gz KRDULEZTXVEUBO-UHFFFAOYSA-N -1 0 312.285 3.029 20 5 DGBDRM Cc1ccc(F)cc1-c1noc(-c2ccc([N+](=O)[O-])cc2[O-])n1 ZINC001216558905 1094219695 /nfs/dbraw/zinc/21/96/95/1094219695.db2.gz VZEHGXHVXJYZQT-UHFFFAOYSA-N -1 0 315.260 3.465 20 5 DGBDRM Cc1cc(-c2noc(-c3cc([O-])ccc3[N+](=O)[O-])n2)cnc1C ZINC001216682421 1094249639 /nfs/dbraw/zinc/24/96/39/1094249639.db2.gz PLRSSDBBSWWQHR-UHFFFAOYSA-N -1 0 312.285 3.029 20 5 DGBDRM O=[N+]([O-])c1cccc(-c2nc(-c3ccc(F)cc3F)no2)c1[O-] ZINC001216700927 1094252771 /nfs/dbraw/zinc/25/27/71/1094252771.db2.gz VGEBWSAYHLJXMJ-UHFFFAOYSA-N -1 0 319.223 3.296 20 5 DGBDRM COc1cc(-c2nc(-c3ccccc3)no2)cc([N+](=O)[O-])c1[O-] ZINC001216837264 1094268940 /nfs/dbraw/zinc/26/89/40/1094268940.db2.gz UASFTUFQVVBLKE-UHFFFAOYSA-N -1 0 313.269 3.026 20 5 DGBDRM Cc1cc(-c2noc(-c3c([O-])cccc3[N+](=O)[O-])n2)cnc1C ZINC001216847183 1094270554 /nfs/dbraw/zinc/27/05/54/1094270554.db2.gz UHYXUIYNXOXZMN-UHFFFAOYSA-N -1 0 312.285 3.029 20 5 DGBDRM COc1ccccc1-c1noc(-c2ccc([O-])cc2[N+](=O)[O-])n1 ZINC001216890380 1094274295 /nfs/dbraw/zinc/27/42/95/1094274295.db2.gz BQWXNKIJHFIKJE-UHFFFAOYSA-N -1 0 313.269 3.026 20 5 DGBDRM COc1cccc(-c2noc(-c3ccc([O-])cc3[N+](=O)[O-])n2)c1 ZINC001216890979 1094274817 /nfs/dbraw/zinc/27/48/17/1094274817.db2.gz LPLQXKDMJHFIRQ-UHFFFAOYSA-N -1 0 313.269 3.026 20 5 DGBDRM O=[N+]([O-])c1cc([O-])ccc1-c1nc(-c2ncccc2C2CC2)no1 ZINC001216894093 1094275640 /nfs/dbraw/zinc/27/56/40/1094275640.db2.gz KXTPCKPLOAODIN-UHFFFAOYSA-N -1 0 324.296 3.290 20 5 DGBDRM CC[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1[O-])C1CCCCC1 ZINC001136519003 1095060798 /nfs/dbraw/zinc/06/07/98/1095060798.db2.gz AKEPVMHYQIIEKS-AWEZNQCLSA-N -1 0 306.362 3.389 20 5 DGBDRM Cc1cc(Cl)cc(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])c1N ZINC001138013951 1095839089 /nfs/dbraw/zinc/83/90/89/1095839089.db2.gz ZVOLWHKYRGMQEE-UHFFFAOYSA-N -1 0 321.720 3.097 20 5 DGBDRM O=C(NCC(C1CCC1)C1CCC1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC001148727472 1096430943 /nfs/dbraw/zinc/43/09/43/1096430943.db2.gz TWQMUYJNBTUWON-UHFFFAOYSA-N -1 0 318.373 3.247 20 5 DGBDRM C[C@H](COCc1ccccc1)Oc1cc([O-])ccc1[N+](=O)[O-] ZINC001225491508 1096446423 /nfs/dbraw/zinc/44/64/23/1096446423.db2.gz PPKSYMJDOHJLID-GFCCVEGCSA-N -1 0 303.314 3.285 20 5 DGBDRM COc1ccc(OC)c([C@H](C)Oc2cc([O-])ccc2[N+](=O)[O-])c1 ZINC001225490769 1096446462 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DGBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1ccc(C(F)F)cc1 ZINC000356290606 433568471 /nfs/dbraw/zinc/56/84/71/433568471.db2.gz GFRLINMZXYJRKJ-UHFFFAOYSA-N -1 0 308.240 3.490 20 5 DGBDRM CC(C)[C@@H]1[C@@H](C(C)C)CN1C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000456358183 433614665 /nfs/dbraw/zinc/61/46/65/433614665.db2.gz YJPLEESOLVIUNB-UKRRQHHQSA-N -1 0 306.362 3.053 20 5 DGBDRM CC(C)(C)c1nnc(SCc2cc([O-])ccc2[N+](=O)[O-])[nH]1 ZINC000436475794 433973243 /nfs/dbraw/zinc/97/32/43/433973243.db2.gz QBSMHUOTOCRWNJ-UHFFFAOYSA-N -1 0 308.363 3.008 20 5 DGBDRM CCCc1cc(=O)[nH]c(SCc2cc([O-])ccc2[N+](=O)[O-])n1 ZINC000436476196 433975757 /nfs/dbraw/zinc/97/57/57/433975757.db2.gz RAIOHXHRFQGJFK-UHFFFAOYSA-N -1 0 321.358 3.041 20 5 DGBDRM CC(C)c1cccnc1NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000436509482 433991031 /nfs/dbraw/zinc/99/10/31/433991031.db2.gz LRJKRKSVRFHVKY-UHFFFAOYSA-N -1 0 301.302 3.071 20 5 DGBDRM CC[C@@H](C)n1ncc(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])c1C ZINC000436598516 434032662 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20 5 DGBDRM CC[C@H](C)[C@H](C)N(C(=O)c1cccc([N+](=O)[O-])c1[O-])C1CC1 ZINC000136944303 432167359 /nfs/dbraw/zinc/16/73/59/432167359.db2.gz GBXOETDNCOFGEZ-QWRGUYRKSA-N -1 0 306.362 3.340 20 5 DGBDRM Cc1cc(C)cc(N(C)C(=O)c2ccc([N+](=O)[O-])cc2[O-])c1 ZINC000157612881 228233728 /nfs/dbraw/zinc/23/37/28/228233728.db2.gz AAICULCIBFZZKH-UHFFFAOYSA-N -1 0 300.314 3.194 20 5 DGBDRM O=C(Nc1cccc(OC(F)F)c1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000159288105 228240473 /nfs/dbraw/zinc/24/04/73/228240473.db2.gz OVULLPTWYABGLW-UHFFFAOYSA-N -1 0 324.239 3.154 20 5 DGBDRM O=C(Nc1cccc2cccnc21)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000164010212 228263509 /nfs/dbraw/zinc/26/35/09/228263509.db2.gz IJHQUWGTTCAXPY-UHFFFAOYSA-N -1 0 309.281 3.101 20 5 DGBDRM Cc1cc([C@H](C)NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)c(C)s1 ZINC000164173007 228264728 /nfs/dbraw/zinc/26/47/28/228264728.db2.gz BALKUINGAMIUTD-VIFPVBQESA-N -1 0 320.370 3.470 20 5 DGBDRM C[C@@H](c1cccs1)N(C)C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000184669301 228385620 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306.362 3.199 20 5 DGBDRM CC(C)C[C@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000182101752 279206149 /nfs/dbraw/zinc/20/61/49/279206149.db2.gz WAFBSBAWPXMCMJ-GFCCVEGCSA-N -1 0 306.362 3.341 20 5 DGBDRM CC(C)C[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000182105601 279209726 /nfs/dbraw/zinc/20/97/26/279209726.db2.gz FKRRZZIVGJPJIU-GFCCVEGCSA-N -1 0 306.362 3.199 20 5 DGBDRM O=C(NCc1ccc2ccccc2c1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000074384219 431418963 /nfs/dbraw/zinc/41/89/63/431418963.db2.gz KFTQZPQAFHOUJM-UHFFFAOYSA-N -1 0 322.320 3.384 20 5 DGBDRM CC(C)Oc1ccc(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)cc1 ZINC000077243734 431576254 /nfs/dbraw/zinc/57/62/54/431576254.db2.gz KFVWAUSIOPEFFH-UHFFFAOYSA-N -1 0 316.313 3.340 20 5 DGBDRM CC(C)CC[C@H]1CCCN1C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000119263420 431668372 /nfs/dbraw/zinc/66/83/72/431668372.db2.gz CPGNWQRBQQZLLJ-CYBMUJFWSA-N -1 0 306.362 3.341 20 5 DGBDRM O=C(Nc1cccc2cccnc21)c1ccc([N+](=O)[O-])cc1[O-] ZINC000184597827 432411819 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COc1cc(-c2nc3ccc(F)cc3n2C)cc([N+](=O)[O-])c1[O-] ZINC000178976298 432792604 /nfs/dbraw/zinc/79/26/04/432792604.db2.gz HZRNRQXUNAGPKO-UHFFFAOYSA-N -1 0 317.276 3.002 20 5 DGBDRM CCS[C@H]1CCCCN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)C1 ZINC000332240235 432990360 /nfs/dbraw/zinc/99/03/60/432990360.db2.gz IQYBLCDYYNLMED-AWEZNQCLSA-N -1 0 324.402 3.048 20 5 DGBDRM C[C@@H](CC1CCCCC1)NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000446719155 433087451 /nfs/dbraw/zinc/08/74/51/433087451.db2.gz MPCURFOFIUDDOM-NSHDSACASA-N -1 0 306.362 3.389 20 5 DGBDRM O=C(C[C@@H]1C[C@H]1c1ccccc1)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000354524936 433128152 /nfs/dbraw/zinc/12/81/52/433128152.db2.gz ICMWSXKWXBARHT-JSGCOSHPSA-N -1 0 312.325 3.433 20 5 DGBDRM CSc1cccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2)c1 ZINC000337788570 433256573 /nfs/dbraw/zinc/25/65/73/433256573.db2.gz ZEFMQIYTYUZVJR-UHFFFAOYSA-N -1 0 324.383 3.118 20 5 DGBDRM O=[N+]([O-])c1ccc(-c2nc(-c3ccc(Cl)o3)no2)cc1[O-] ZINC000350904554 433323949 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CC(C)[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1[O-])c1cccnc1 ZINC000436152828 433890006 /nfs/dbraw/zinc/89/00/06/433890006.db2.gz KOBPHBVEAFRLKP-HNNXBMFYSA-N -1 0 315.329 3.074 20 5 DGBDRM CC(C)[C@H](NC(=O)c1ccc([O-])c([N+](=O)[O-])c1)c1ccccc1 ZINC000436633178 434045978 /nfs/dbraw/zinc/04/59/78/434045978.db2.gz GAMCMEWMZCIWAF-INIZCTEOSA-N -1 0 314.341 3.428 20 5 DGBDRM CC(C)c1cnc(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])s1 ZINC000436666309 434061963 /nfs/dbraw/zinc/06/19/63/434061963.db2.gz SHVAKWUHSTWOAC-UHFFFAOYSA-N -1 0 307.331 3.133 20 5 DGBDRM CCc1ccc2[nH]c(-c3cc(OC)c([O-])c([N+](=O)[O-])c3)nc2c1 ZINC000436743823 434090385 /nfs/dbraw/zinc/09/03/85/434090385.db2.gz YPYALDKXBSSSOZ-UHFFFAOYSA-N -1 0 313.313 3.415 20 5 DGBDRM CCc1cc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])ccc1F ZINC000507622240 294306944 /nfs/dbraw/zinc/30/69/44/294306944.db2.gz RTTNXKUPDRKZBA-UHFFFAOYSA-N -1 0 324.333 3.097 20 5 DGBDRM CC(=O)c1ccc([O-])c(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)c1 ZINC000436867017 434141613 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CC[C@@H](CC(F)(F)F)Nc1nc(C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000521880821 294890971 /nfs/dbraw/zinc/89/09/71/294890971.db2.gz GRGZGLQQCDKXBE-ZETCQYMHSA-N -1 0 321.255 3.139 20 5 DGBDRM O=C(Nc1cc(F)cc(Cl)c1[O-])c1ccc([N+](=O)[O-])cc1 ZINC000353885893 434501214 /nfs/dbraw/zinc/50/12/14/434501214.db2.gz DXQMRTSYDQBQLG-UHFFFAOYSA-N -1 0 310.668 3.345 20 5 DGBDRM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CCCC2(CCCC2)C1 ZINC000438563816 434511963 /nfs/dbraw/zinc/51/19/63/434511963.db2.gz WCSWFNGTZAQGHS-UHFFFAOYSA-N -1 0 304.346 3.097 20 5 DGBDRM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CCCC2(CCCC2)C1 ZINC000438693561 434522186 /nfs/dbraw/zinc/52/21/86/434522186.db2.gz OBZKZKXGRMDEDM-UHFFFAOYSA-N -1 0 304.346 3.097 20 5 DGBDRM CC(/C=C\c1cc(C(=O)[O-])ncn1)=C/c1cccc([N+](=O)[O-])c1 ZINC000527044367 295073054 /nfs/dbraw/zinc/07/30/54/295073054.db2.gz XMRAARDWBKSZKE-FUVGTJSASA-N -1 0 311.297 3.200 20 5 DGBDRM COc1cccc2c1N(Cc1cc([O-])ccc1[N+](=O)[O-])CCC2 ZINC000429693641 295338724 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O=C(/C=C/c1ccccc1[N+](=O)[O-])Nc1ccc(F)cc1[O-] ZINC000492250299 434943318 /nfs/dbraw/zinc/94/33/18/434943318.db2.gz SNZNABQYTDLLDH-VMPITWQZSA-N -1 0 302.261 3.091 20 5 DGBDRM C[C@@H](CNc1ccc([N+](=O)[O-])c(OC(C)(C)C)c1)CC(=O)[O-] ZINC000578327301 435075682 /nfs/dbraw/zinc/07/56/82/435075682.db2.gz YAMVFWRVPHYFNN-SNVBAGLBSA-N -1 0 310.350 3.295 20 5 DGBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CCC2(CCCC2)CC1 ZINC000153057201 304551987 /nfs/dbraw/zinc/55/19/87/304551987.db2.gz RQMCRLUJSJLDNZ-UHFFFAOYSA-N -1 0 304.346 3.097 20 5 DGBDRM CS[C@@H](CNc1ccc([N+](=O)[O-])c(C(=O)[O-])c1)C(C)(C)C ZINC000578774526 435109784 /nfs/dbraw/zinc/10/97/84/435109784.db2.gz CMZKWUJWRKYJBH-LBPRGKRZSA-N -1 0 312.391 3.483 20 5 DGBDRM Cc1ccc(C)c(S(=O)(=O)[N-]c2cc(F)cc([N+](=O)[O-])c2)c1 ZINC000475841213 435213019 /nfs/dbraw/zinc/21/30/19/435213019.db2.gz ZYQYIUZMLFQBGH-UHFFFAOYSA-N -1 0 324.333 3.152 20 5 DGBDRM COc1c(C(=O)Nc2cccc(Cl)c2[O-])cccc1[N+](=O)[O-] ZINC000476490060 435237641 /nfs/dbraw/zinc/23/76/41/435237641.db2.gz NGQGJSJSTQNGEM-UHFFFAOYSA-N -1 0 322.704 3.215 20 5 DGBDRM C[C@@H](CCCC(F)(F)F)Nc1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000583815556 435243751 /nfs/dbraw/zinc/24/37/51/435243751.db2.gz RFFXKMSWBDPERJ-ZETCQYMHSA-N -1 0 321.255 3.221 20 5 DGBDRM C[C@H](C1CCCCC1)N(C)C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436684000 298266578 /nfs/dbraw/zinc/26/65/78/298266578.db2.gz XCUSXLHNIHOXMS-LLVKDONJSA-N -1 0 306.362 3.341 20 5 DGBDRM Cc1cc([N-]c2nc(C)ccc2[N+](=O)[O-])nn1C1CCCCC1 ZINC000589606214 435297174 /nfs/dbraw/zinc/29/71/74/435297174.db2.gz QTLFHFSROYEWKG-UHFFFAOYSA-N -1 0 315.377 4.052 20 5 DGBDRM CC(C)N(CC1CC1)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000516068665 435511204 /nfs/dbraw/zinc/51/12/04/435511204.db2.gz KPUGHEDLXYZIBW-UHFFFAOYSA-N -1 0 312.753 3.214 20 5 DGBDRM C[C@@H](C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1)c1ccc(F)c(F)c1 ZINC000483440600 435519548 /nfs/dbraw/zinc/51/95/48/435519548.db2.gz OSXMZAZTAZRACR-MRVPVSSYSA-N -1 0 322.267 3.321 20 5 DGBDRM CC[C@H](Cc1ccccc1)Nc1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000569726684 435556208 /nfs/dbraw/zinc/55/62/08/435556208.db2.gz CVCYFWLOERZUNA-GFCCVEGCSA-N -1 0 315.329 3.121 20 5 DGBDRM CC(C)(C)[C@@H](NC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(F)(F)F ZINC000548452245 435694604 /nfs/dbraw/zinc/69/46/04/435694604.db2.gz BCKYLHKQWGOZDN-LLVKDONJSA-N -1 0 320.267 3.007 20 5 DGBDRM Cc1ccccc1C[C@@H](C)Nc1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000572769378 435866355 /nfs/dbraw/zinc/86/63/55/435866355.db2.gz YTFCIHDLTVZLHT-LLVKDONJSA-N -1 0 315.329 3.040 20 5 DGBDRM CC(C)[C@@H](Oc1ccccc1-c1ccc([N+](=O)[O-])nc1)C(=O)[O-] ZINC000572781541 435869160 /nfs/dbraw/zinc/86/91/60/435869160.db2.gz SVQJQPAKIYBZGF-OAHLLOKOSA-N -1 0 316.313 3.145 20 5 DGBDRM C[C@H]1c2ccsc2CCN1C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000274568212 300715530 /nfs/dbraw/zinc/71/55/30/300715530.db2.gz DEIWHRRGDTXERW-VIFPVBQESA-N -1 0 318.354 3.121 20 5 DGBDRM CCc1cccc2c1N(C(=O)c1ccc([O-])c([N+](=O)[O-])c1)CC2 ZINC000543552943 314141282 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O=[N+]([O-])c1c([N-]c2cnn(C3CCCC3)c2)nc2sccn21 ZINC000895887945 618845463 /nfs/dbraw/zinc/84/54/63/618845463.db2.gz VNJQDMWUCUZHHA-UHFFFAOYSA-N -1 0 318.362 3.359 20 5 DGBDRM Cc1c(-c2cn(C)nc2C(C)C)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000901005187 619465695 /nfs/dbraw/zinc/46/56/95/619465695.db2.gz ZZERSYIWDSJGAG-UHFFFAOYSA-N -1 0 303.318 3.125 20 5 DGBDRM Cc1cc(N(C)[C@H](C)c2cccnc2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000910351094 620290574 /nfs/dbraw/zinc/29/05/74/620290574.db2.gz CTPBXJTXNXIXHC-LLVKDONJSA-N -1 0 315.329 3.194 20 5 DGBDRM O=C(c1cc([O-])ccc1[N+](=O)[O-])N1C[C@@H]2CC[C@H]1c1ccccc12 ZINC000922541997 621054260 /nfs/dbraw/zinc/05/42/60/621054260.db2.gz ZQTZIFJYJFOQMP-ZBEGNZNMSA-N -1 0 324.336 3.375 20 5 DGBDRM O=C(OCc1cc([O-])ccc1[N+](=O)[O-])[C@@H]1C[C@H]1c1ccsc1 ZINC000860161634 621373503 /nfs/dbraw/zinc/37/35/03/621373503.db2.gz JEQNKIBBEKHUGJ-QWHCGFSZSA-N -1 0 319.338 3.209 20 5 DGBDRM Cc1cccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2F)c1 ZINC000754949239 621542712 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CC(C)C[C@@H](CNc1ccc2cc([N+](=O)[O-])ccc2n1)C(=O)[O-] ZINC000321725428 528330841 /nfs/dbraw/zinc/33/08/41/528330841.db2.gz NSFAPRHMCLZBLH-LBPRGKRZSA-N -1 0 317.345 3.302 20 5 DGBDRM CC(C)C[C@H](CNc1nccc2c1cccc2[N+](=O)[O-])C(=O)[O-] ZINC000424371357 528533236 /nfs/dbraw/zinc/53/32/36/528533236.db2.gz FXBZUOZYXIRCSE-LLVKDONJSA-N -1 0 317.345 3.302 20 5 DGBDRM CC(C)[C@@H]1CCC[C@H](NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000436964156 528689345 /nfs/dbraw/zinc/68/93/45/528689345.db2.gz RGRMGWKDKBBHTR-YPMHNXCESA-N -1 0 306.362 3.245 20 5 DGBDRM CCC(CC)(CNc1ccc([N+](=O)[O-])c2cnccc12)C(=O)[O-] ZINC000321559496 528697096 /nfs/dbraw/zinc/69/70/96/528697096.db2.gz KXRDLUZVEMLDKQ-UHFFFAOYSA-N -1 0 317.345 3.446 20 5 DGBDRM CCN(Cc1cccc(F)c1)C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000159541926 528810988 /nfs/dbraw/zinc/81/09/88/528810988.db2.gz NMDPICYGGAXCHC-UHFFFAOYSA-N -1 0 318.304 3.102 20 5 DGBDRM CCC1(CC)CN(C(=O)c2cccc([N+](=O)[O-])c2[O-])CCS1 ZINC000331234136 529078372 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O=C(N[C@H](c1ccccc1)C(F)F)c1cccc([N+](=O)[O-])c1[O-] ZINC000436884430 434151444 /nfs/dbraw/zinc/15/14/44/434151444.db2.gz CJVNIOURWMBNBV-GFCCVEGCSA-N -1 0 322.267 3.037 20 5 DGBDRM C[C@H](CN(C)C(=O)c1ccc([O-])c([N+](=O)[O-])c1)c1ccccc1 ZINC000436959794 434185081 /nfs/dbraw/zinc/18/50/81/434185081.db2.gz HZBQXZJCRIFCAF-GFCCVEGCSA-N -1 0 314.341 3.176 20 5 DGBDRM Cc1cccc(C)c1[C@@H](C)NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436977829 434186815 /nfs/dbraw/zinc/18/68/15/434186815.db2.gz FNZXKZBOBPKAAT-GFCCVEGCSA-N -1 0 314.341 3.408 20 5 DGBDRM CCCCC[C@@H]1CCCN1C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436966636 434189563 /nfs/dbraw/zinc/18/95/63/434189563.db2.gz OCMGPFAOJYTGES-GFCCVEGCSA-N -1 0 306.362 3.485 20 5 DGBDRM CC(C)(C)c1cnc(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)s1 ZINC000436964581 434190475 /nfs/dbraw/zinc/19/04/75/434190475.db2.gz RNURKWWTPPCOQH-UHFFFAOYSA-N -1 0 321.358 3.307 20 5 DGBDRM O=C(Cc1cccc([N+](=O)[O-])c1)Nc1cc(F)cc(Cl)c1[O-] ZINC000353877542 434492774 /nfs/dbraw/zinc/49/27/74/434492774.db2.gz OKSUVKDXIUEBAM-UHFFFAOYSA-N -1 0 324.695 3.274 20 5 DGBDRM O=C(Nc1cc(F)cc(Cl)c1[O-])c1ccc([N+](=O)[O-])s1 ZINC000353893610 434507875 /nfs/dbraw/zinc/50/78/75/434507875.db2.gz LKIOVLRDFJHXMX-UHFFFAOYSA-N -1 0 316.697 3.407 20 5 DGBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CCCC3(CCCC3)C2)n1 ZINC000522004574 434904947 /nfs/dbraw/zinc/90/49/47/434904947.db2.gz RLEJXLSSZCUJKZ-UHFFFAOYSA-N -1 0 319.361 3.157 20 5 DGBDRM CO[C@@H](CNc1cc(C)c([N+](=O)[O-])c(C(=O)[O-])c1)C(C)(C)C ZINC000522060440 434909208 /nfs/dbraw/zinc/90/92/08/434909208.db2.gz KRQVVIHOQSZTKS-LBPRGKRZSA-N -1 0 310.350 3.074 20 5 DGBDRM C[C@@H]1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@H]1C ZINC000573093437 434873542 /nfs/dbraw/zinc/87/35/42/434873542.db2.gz OICVXRXKRWPEGH-RKDXNWHRSA-N -1 0 312.753 3.072 20 5 DGBDRM Cc1cc(N[C@H]2CCO[C@H](C(C)C)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000574159564 434955270 /nfs/dbraw/zinc/95/52/70/434955270.db2.gz MMFDQWPATYZPKQ-FZMZJTMJSA-N -1 0 322.361 3.217 20 5 DGBDRM C[C@H](c1ccc(C(=O)[O-])o1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000573855435 434929897 /nfs/dbraw/zinc/92/98/97/434929897.db2.gz GWUMMTGRLGTAQP-SNVBAGLBSA-N -1 0 316.313 3.005 20 5 DGBDRM C[C@H](C1CCCCC1)N(C)C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436680880 298266601 /nfs/dbraw/zinc/26/66/01/298266601.db2.gz LNHSMYLBLIIIPV-LLVKDONJSA-N -1 0 306.362 3.341 20 5 DGBDRM CCc1cccc([N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])c1 ZINC000511121153 435313405 /nfs/dbraw/zinc/31/34/05/435313405.db2.gz NCISHFQSGGOFRT-UHFFFAOYSA-N -1 0 320.370 3.266 20 5 DGBDRM C[C@@H]1[C@H](C(F)(F)F)CCN1c1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000568095074 435390185 /nfs/dbraw/zinc/39/01/85/435390185.db2.gz XZIXCDFZRDUWHG-GMSGAONNSA-N -1 0 318.251 3.070 20 5 DGBDRM COCc1cc([N+](=O)[O-])ccc1NCC1(C(=O)[O-])CCCCC1 ZINC000514938792 435452211 /nfs/dbraw/zinc/45/22/11/435452211.db2.gz GYMMMDARQXGFQO-UHFFFAOYSA-N -1 0 322.361 3.188 20 5 DGBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N2Cc3ccccc3C3(CC3)C2)c1 ZINC000520233589 435730499 /nfs/dbraw/zinc/73/04/99/435730499.db2.gz DQELLSVCYLZDQZ-UHFFFAOYSA-N -1 0 324.336 3.345 20 5 DGBDRM CCCCN(CC)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000571447198 435708782 /nfs/dbraw/zinc/70/87/82/435708782.db2.gz PGUNRVHHHJMASP-UHFFFAOYSA-N -1 0 300.742 3.216 20 5 DGBDRM Cc1cc(N[C@@H](C)CC(=O)[O-])c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416429218 301364518 /nfs/dbraw/zinc/36/45/18/301364518.db2.gz XONSHNFMSJHSKR-ZETCQYMHSA-N -1 0 306.240 3.197 20 5 DGBDRM C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)[C@H]2CCCC[C@H]12 ZINC000530680543 313395516 /nfs/dbraw/zinc/39/55/16/313395516.db2.gz KZMKKIXRTFKYES-BNOWGMLFSA-N -1 0 318.373 3.341 20 5 DGBDRM CCC[C@@H]1CCCC[C@@H]1NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000542809252 314099627 /nfs/dbraw/zinc/09/96/27/314099627.db2.gz SDQMLKWAMGKYRY-ABAIWWIYSA-N -1 0 306.362 3.389 20 5 DGBDRM CCc1ccc(C(=O)[O-])cc1NCc1cccc([N+](=O)[O-])c1 ZINC000559981528 314897879 /nfs/dbraw/zinc/89/78/79/314897879.db2.gz OIUDTDWSOZAXFD-UHFFFAOYSA-N -1 0 300.314 3.468 20 5 DGBDRM CC[C@H](C)CN(C)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000563180812 315087728 /nfs/dbraw/zinc/08/77/28/315087728.db2.gz SMASDPGWDJZAEC-QMMMGPOBSA-N -1 0 300.742 3.072 20 5 DGBDRM Cc1oc(CN(C)[C@@H](C)c2ccccc2[N+](=O)[O-])cc1C(=O)[O-] ZINC000563283168 315099152 /nfs/dbraw/zinc/09/91/52/315099152.db2.gz PPCGZWDQHLJBHY-JTQLQIEISA-N -1 0 318.329 3.387 20 5 DGBDRM CC[C@H]1C[C@@H](C)CN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000565016924 315221860 /nfs/dbraw/zinc/22/18/60/315221860.db2.gz WYCCDUZFUWGBLD-SCZZXKLOSA-N -1 0 312.753 3.214 20 5 DGBDRM CC(C)C[C@H]1C[C@@H](Nc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CCO1 ZINC000565034437 315223472 /nfs/dbraw/zinc/22/34/72/315223472.db2.gz GRBMXAVILVMLGG-STQMWFEESA-N -1 0 322.361 3.299 20 5 DGBDRM CC(C)COc1ccc(-c2cc([N+](=O)[O-])ccc2C(=O)[O-])cn1 ZINC000565235974 315245628 /nfs/dbraw/zinc/24/56/28/315245628.db2.gz ANCCMSRWBXARIV-UHFFFAOYSA-N -1 0 316.313 3.390 20 5 DGBDRM CCCO[C@H]1CCCN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)CC1 ZINC000566070575 315309128 /nfs/dbraw/zinc/30/91/28/315309128.db2.gz HAPVXZKRFKBMOD-ZDUSSCGKSA-N -1 0 322.361 3.079 20 5 DGBDRM CCCn1nc(C)c(-c2cc([N+](=O)[O-])cc(C(=O)[O-])c2C)c1C ZINC000566493797 315352951 /nfs/dbraw/zinc/35/29/51/315352951.db2.gz HTOZOFIMZXHKQT-UHFFFAOYSA-N -1 0 317.345 3.492 20 5 DGBDRM C[C@@H](CCc1cccn1C)Nc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000567052049 315393301 /nfs/dbraw/zinc/39/33/01/315393301.db2.gz KWPVDOYHMSLUNZ-NSHDSACASA-N -1 0 317.345 3.065 20 5 DGBDRM COC1CCC(C)(CNc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC000567983835 315468060 /nfs/dbraw/zinc/46/80/60/315468060.db2.gz URTJEXMMABJGNN-UHFFFAOYSA-N -1 0 322.361 3.300 20 5 DGBDRM C[C@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])C(C)(C)C1 ZINC000569974718 315615990 /nfs/dbraw/zinc/61/59/90/315615990.db2.gz IKVGXHKBMKIMEV-MRVPVSSYSA-N -1 0 312.753 3.214 20 5 DGBDRM CC[C@H](Sc1c2ccc(OC)cc2ncc1[N+](=O)[O-])C(=O)[O-] ZINC000570335865 315641972 /nfs/dbraw/zinc/64/19/72/315641972.db2.gz OFGGDIUMQHHGCX-LBPRGKRZSA-N -1 0 322.342 3.107 20 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324021734 /nfs/dbraw/zinc/02/17/34/324021734.db2.gz SMPOHQGWSHBVRZ-SSDOTTSWSA-N -1 0 306.240 3.055 20 5 DGBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N2CCC[C@H]2c2cccnc2)c1 ZINC000583502259 324362695 /nfs/dbraw/zinc/36/26/95/324362695.db2.gz GUWIYVYBWMCWAV-ZDUSSCGKSA-N -1 0 313.313 3.030 20 5 DGBDRM O=C(Nc1cccc(C(F)F)c1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000184732820 534333768 /nfs/dbraw/zinc/33/37/68/534333768.db2.gz SMTGJCSRIIAOHJ-UHFFFAOYSA-N -1 0 308.240 3.490 20 5 DGBDRM O=C(Nc1cccc(C(F)F)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000181957084 534333909 /nfs/dbraw/zinc/33/39/09/534333909.db2.gz AAMAVLHYGMIAIV-UHFFFAOYSA-N -1 0 308.240 3.490 20 5 DGBDRM Cc1cccc(C(C)(C)NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1 ZINC000180038574 534636202 /nfs/dbraw/zinc/63/62/02/534636202.db2.gz RXQDUNLHLJJIEW-UHFFFAOYSA-N -1 0 314.341 3.274 20 5 DGBDRM Cc1nnc(SCc2cc([O-])ccc2[N+](=O)[O-])n1C(C)C ZINC000413008404 534870431 /nfs/dbraw/zinc/87/04/31/534870431.db2.gz XHYVZLFDDOZHTR-UHFFFAOYSA-N -1 0 308.363 3.074 20 5 DGBDRM CC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])cc1C ZINC000165381616 527313687 /nfs/dbraw/zinc/31/36/87/527313687.db2.gz UOWKIYQRNFQWKX-UHFFFAOYSA-N -1 0 314.297 3.064 20 5 DGBDRM CCN(Cc1cccs1)C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000179413757 528853502 /nfs/dbraw/zinc/85/35/02/528853502.db2.gz DKXXBQZOLFBYIF-UHFFFAOYSA-N -1 0 306.343 3.024 20 5 DGBDRM CCS[C@H]1CC[C@H](N(C)C(=O)c2cc([O-])cc([N+](=O)[O-])c2)C1 ZINC000330774969 529234125 /nfs/dbraw/zinc/23/41/25/529234125.db2.gz HAQKOUWAIPORDZ-FZMZJTMJSA-N -1 0 324.402 3.047 20 5 DGBDRM CC[C@H](C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1[O-])C(F)(F)F ZINC000444546217 529255561 /nfs/dbraw/zinc/25/55/61/529255561.db2.gz MFAVVSSETCUUFL-CPCISQLKSA-N -1 0 320.267 3.007 20 5 DGBDRM CC[C@H](C)[C@H]1CCCCN1C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436971120 529267133 /nfs/dbraw/zinc/26/71/33/529267133.db2.gz NTEVZSOIESXKIB-WCQYABFASA-N -1 0 306.362 3.341 20 5 DGBDRM CC(C)c1ccc(CNCc2ccc(C(=O)[O-])o2)cc1[N+](=O)[O-] ZINC000736513807 574755852 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DGBDRM CCN(C(=O)c1ccc([N+](=O)[O-])c([O-])c1)[C@H]1CCCC[C@@H]1C ZINC001546323065 1186595147 /nfs/dbraw/zinc/59/51/47/1186595147.db2.gz XDUGIXYRPODAAD-AAEUAGOBSA-N -1 0 306.362 3.341 20 5 DGBDRM O=C([N-]c1cc([N+](=O)[O-])ccc1F)c1scnc1C(F)F ZINC001524171842 1187219463 /nfs/dbraw/zinc/21/94/63/1187219463.db2.gz DYIKRELXOVGRAV-UHFFFAOYSA-N -1 0 317.248 3.380 20 5 DGBDRM CCOc1cc(C)ccc1NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC001542122469 1188277330 /nfs/dbraw/zinc/27/73/30/1188277330.db2.gz XQGUULFOPAJCQZ-UHFFFAOYSA-N -1 0 316.313 3.260 20 5 DGBDRM O=C(NCc1c(F)cccc1Cl)c1cc([N+](=O)[O-])ccc1[O-] ZINC001543486767 1188336926 /nfs/dbraw/zinc/33/69/26/1188336926.db2.gz SOUQOTFHDQIWSN-UHFFFAOYSA-N -1 0 324.695 3.023 20 5 DGBDRM C[C@@H]1CCCC[C@@H]1CCNC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC001617468684 1193571173 /nfs/dbraw/zinc/57/11/73/1193571173.db2.gz QRVGTFAQXITBGI-VXGBXAGGSA-N -1 0 306.362 3.247 20 5 DGBDRM C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1[O-])c1ccc(Cl)cc1 ZINC001556939785 1189031074 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1194691641 /nfs/dbraw/zinc/69/16/41/1194691641.db2.gz LMANEPPRXFVGBC-UHFFFAOYSA-N -1 0 323.308 3.030 20 5 DGBDRM O=[N+]([O-])c1ccc([O-])cc1CSc1ccc2c(c1)OCCO2 ZINC001640689187 1194825017 /nfs/dbraw/zinc/82/50/17/1194825017.db2.gz DDNGGAILRVECNY-UHFFFAOYSA-N -1 0 319.338 3.364 20 5 DGBDRM CSc1cccnc1[N-]C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC001640737092 1194826270 /nfs/dbraw/zinc/82/62/70/1194826270.db2.gz HSDFSOJTBLLFFJ-UHFFFAOYSA-N -1 0 307.306 3.103 20 5 DGBDRM CC(C)[C@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-])C1CC1 ZINC001646132686 1195215292 /nfs/dbraw/zinc/21/52/92/1195215292.db2.gz WUAVHDFUUFSUBQ-LBPRGKRZSA-N -1 0 312.753 3.118 20 5 DGBDRM Cc1nccc2c(NC(=O)c3ccc([N+](=O)[O-])c([O-])c3)cccc12 ZINC001651652983 1195491389 /nfs/dbraw/zinc/49/13/89/1195491389.db2.gz XAOJDJCXCUCAGX-UHFFFAOYSA-N -1 0 323.308 3.409 20 5 DGBDRM CC[C@H](CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)[O-] ZINC000087509473 949089246 /nfs/dbraw/zinc/08/92/46/949089246.db2.gz MDZUMILMAYRRSN-SSDOTTSWSA-N -1 0 306.240 3.136 20 5 DGBDRM C[C@@H](SCc1ccc(Br)cc1[N+](=O)[O-])C(=O)[O-] ZINC000162065347 949388862 /nfs/dbraw/zinc/38/88/62/949388862.db2.gz GRKARAGRKMDRLU-ZCFIWIBFSA-N -1 0 320.164 3.064 20 5 DGBDRM O=C([O-])c1ccccc1CNc1ccc2cnccc2c1[N+](=O)[O-] ZINC001595255285 949593140 /nfs/dbraw/zinc/59/31/40/949593140.db2.gz LXUHKGUHWVOYFM-UHFFFAOYSA-N -1 0 323.308 3.453 20 5 DGBDRM CC[C@@H](CNc1c(Cl)cc([N+](=O)[O-])cc1Cl)C(=O)[O-] ZINC000233885410 949806286 /nfs/dbraw/zinc/80/62/86/949806286.db2.gz NXFUBYUEFAZSJC-LURJTMIESA-N -1 0 307.133 3.424 20 5 DGBDRM CC[C@H](OC(=O)[C@H](C(=O)[O-])C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC001593625683 953548782 /nfs/dbraw/zinc/54/87/82/953548782.db2.gz OIDPYZVCMAXPOL-STQMWFEESA-N -1 0 323.345 3.336 20 5 DGBDRM Cc1ccc([C@@H](C)Nc2ncc(C(=O)[O-])cc2[N+](=O)[O-])s1 ZINC000162387149 959213670 /nfs/dbraw/zinc/21/36/70/959213670.db2.gz FBIBMZMZZCFKBI-MRVPVSSYSA-N -1 0 307.331 3.231 20 5 DGBDRM O=C([O-])c1ccc([N+](=O)[O-])c(Sc2ccc(F)c(F)c2)n1 ZINC000166887356 959324320 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C[C@@H](CN(C)c1nccc(C(=O)[O-])c1[N+](=O)[O-])C1CCCCC1 ZINC001592594259 978530273 /nfs/dbraw/zinc/53/02/73/978530273.db2.gz ZKQNXIBWGDGVML-NSHDSACASA-N -1 0 321.377 3.341 20 5 DGBDRM C[C@@H](CN(Cc1ccccc1)c1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC001592609533 978555203 /nfs/dbraw/zinc/55/52/03/978555203.db2.gz BRNIITYSTPHHPN-ZDUSSCGKSA-N -1 0 314.341 3.322 20 5 DGBDRM CC[C@H](COc1cccc(C(=O)[O-])c1[N+](=O)[O-])CC(F)F ZINC001595198885 979931937 /nfs/dbraw/zinc/93/19/37/979931937.db2.gz UQONOXGATSIAQZ-QMMMGPOBSA-N -1 0 303.261 3.353 20 5 DGBDRM CCC1(CC)[C@H](Nc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C[C@H]1OC ZINC001595373886 980877742 /nfs/dbraw/zinc/87/77/42/980877742.db2.gz QEHFKTSETOUXKO-ZIAGYGMSSA-N -1 0 322.361 3.299 20 5 DGBDRM CC[C@@H]1CCC[C@@]1(C)C(=O)Oc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001595436738 981070782 /nfs/dbraw/zinc/07/07/82/981070782.db2.gz VBRPQWYMTHOQPQ-QLJPJBMISA-N -1 0 321.329 3.415 20 5 DGBDRM CCC[C@H](NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)C(C)(C)C ZINC001595600102 981576844 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3.377 20 5 DGBDRM Cc1cc(NCC2(C(F)(F)F)CC2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600279536 1192826227 /nfs/dbraw/zinc/82/62/27/1192826227.db2.gz OTOJKAFSMZCILH-UHFFFAOYSA-N -1 0 318.251 3.356 20 5 DGBDRM Cc1cc([N+](=O)[O-])cc(Cl)c1N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC001600303925 1192828173 /nfs/dbraw/zinc/82/81/73/1192828173.db2.gz AFPNVORYUYRDCE-LLVKDONJSA-N -1 0 324.764 3.248 20 5 DGBDRM Cc1ccc(C(=O)[O-])cc1NCCc1ccc([N+](=O)[O-])cc1 ZINC001600360514 1192836744 /nfs/dbraw/zinc/83/67/44/1192836744.db2.gz OLYMIUZRDJNMAX-UHFFFAOYSA-N -1 0 300.314 3.256 20 5 DGBDRM Cc1ccc(C(=O)[O-])cc1OCc1ccc(F)cc1[N+](=O)[O-] ZINC001600360775 1192836974 /nfs/dbraw/zinc/83/69/74/1192836974.db2.gz AYTVGKHZMUCCBA-UHFFFAOYSA-N -1 0 305.261 3.320 20 5 DGBDRM Cc1ccc(CNc2cc(C(=O)[O-])cc([N+](=O)[O-])c2C)c(C)n1 ZINC001600420917 1192850051 /nfs/dbraw/zinc/85/00/51/1192850051.db2.gz VXOQHURSEIKPDQ-UHFFFAOYSA-N -1 0 315.329 3.225 20 5 DGBDRM Cc1ccc(NCc2cc(C(=O)[O-])ccc2[N+](=O)[O-])c(F)c1 ZINC001600460730 1192856798 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313.313 3.230 20 5 DGBDRM Cc1occc1CNc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC001600861564 1192905674 /nfs/dbraw/zinc/90/56/74/1192905674.db2.gz MNRFANJCDAEFCO-HYXAFXHYSA-N -1 0 302.286 3.206 20 5 DGBDRM O=C(CCC1CCCC1)COc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC001601263838 1192925909 /nfs/dbraw/zinc/92/59/09/1192925909.db2.gz PPKKSQATGNVUCM-UHFFFAOYSA-N -1 0 321.329 3.211 20 5 DGBDRM O=C([O-])C1=CC[C@H](Nc2ccc(C(F)(F)F)c([N+](=O)[O-])c2)C1 ZINC001601739404 1192943508 /nfs/dbraw/zinc/94/35/08/1192943508.db2.gz HXYNOSPILXANAY-QMMMGPOBSA-N -1 0 316.235 3.199 20 5 DGBDRM O=C([O-])/C=C\c1ccc(NCc2ccc(O)cc2)c([N+](=O)[O-])c1 ZINC001601881844 1192949448 /nfs/dbraw/zinc/94/94/48/1192949448.db2.gz FLHYLLVJUBBLEO-YWEYNIOJSA-N -1 0 314.297 3.010 20 5 DGBDRM O=C([O-])Cc1ccc(N2CC3(CC3)c3ccccc32)c([N+](=O)[O-])c1 ZINC001602121217 1192958952 /nfs/dbraw/zinc/95/89/52/1192958952.db2.gz VICBITWPVDJSCG-UHFFFAOYSA-N -1 0 324.336 3.405 20 5 DGBDRM O=C([O-])Cc1ccc(NC[C@H]2C[C@H]2C2CCCC2)c([N+](=O)[O-])c1 ZINC001602126417 1192959213 /nfs/dbraw/zinc/95/92/13/1192959213.db2.gz DHGZYUYAMULCDE-KGLIPLIRSA-N -1 0 318.373 3.460 20 5 DGBDRM O=C([O-])c1cc(OCc2cccc3ncccc23)ccc1[N+](=O)[O-] ZINC001602288141 1192967753 /nfs/dbraw/zinc/96/77/53/1192967753.db2.gz HBXOLBLCXRKQEZ-UHFFFAOYSA-N -1 0 324.292 3.420 20 5 DGBDRM O=C([O-])c1ccc(CNc2ccc(F)cc2[N+](=O)[O-])c(F)c1 ZINC001602350370 1192972726 /nfs/dbraw/zinc/97/27/26/1192972726.db2.gz PSASVYQVLFLGST-UHFFFAOYSA-N -1 0 308.240 3.183 20 5 DGBDRM O=C([O-])c1ccc(CNc2ncc([N+](=O)[O-])c3ccccc32)o1 ZINC001602352419 1192973141 /nfs/dbraw/zinc/97/31/41/1192973141.db2.gz QGRCCRAGCHOAND-UHFFFAOYSA-N -1 0 313.269 3.046 20 5 DGBDRM O=C([O-])c1ccc(Cl)c(CNCc2ccc([N+](=O)[O-])cc2)c1 ZINC001602360424 1192974288 /nfs/dbraw/zinc/97/42/88/1192974288.db2.gz AKBCLVZVRHXWMG-UHFFFAOYSA-N -1 0 320.732 3.236 20 5 DGBDRM O=C([O-])c1ccc([N+](=O)[O-])c(SCc2ccccc2F)n1 ZINC001602409071 1192977448 /nfs/dbraw/zinc/97/74/48/1192977448.db2.gz NVMLOUQFBUURDO-UHFFFAOYSA-N -1 0 308.290 3.119 20 5 DGBDRM C/C(=C/C(C)(C)C)C(=O)Oc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001602960400 1193003859 /nfs/dbraw/zinc/00/38/59/1193003859.db2.gz SOIVDYZILMPKKX-HJWRWDBZSA-N -1 0 307.302 3.191 20 5 DGBDRM CC(C)(C)c1cc(COc2cc(C(=O)[O-])ccc2[N+](=O)[O-])no1 ZINC001603533005 1193019980 /nfs/dbraw/zinc/01/99/80/1193019980.db2.gz CVYSKGGJXJYMDF-UHFFFAOYSA-N -1 0 320.301 3.158 20 5 DGBDRM C[C@](CNc1sccc1[N+](=O)[O-])(C(=O)[O-])c1ccccc1 ZINC001604192746 1193060391 /nfs/dbraw/zinc/06/03/91/1193060391.db2.gz ZENVHLVSSIKIMV-CQSZACIVSA-N -1 0 306.343 3.111 20 5 DGBDRM CC1(C)CCC[C@H](CNc2ncc(C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC001604529050 1193079182 /nfs/dbraw/zinc/07/91/82/1193079182.db2.gz RFZWXLDXEJCZAP-JTQLQIEISA-N -1 0 307.350 3.316 20 5 DGBDRM C[C@@H]1CCC[C@@H](CNc2ncc(C(=O)[O-])cc2[N+](=O)[O-])[C@H]1C ZINC001604715993 1193090304 /nfs/dbraw/zinc/09/03/04/1193090304.db2.gz KZNOTHXKEUVORO-VWYCJHECSA-N -1 0 307.350 3.172 20 5 DGBDRM C[C@@H]1CCCC[C@@H]1CCNc1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC001604725252 1193090853 /nfs/dbraw/zinc/09/08/53/1193090853.db2.gz OPGJWEOWFFQJTE-GHMZBOCLSA-N -1 0 307.350 3.316 20 5 DGBDRM CCC(CC)c1noc(-c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)n1 ZINC001605018985 1193106739 /nfs/dbraw/zinc/10/67/39/1193106739.db2.gz QMVMVFMWVYYTBR-UHFFFAOYSA-N -1 0 305.290 3.247 20 5 DGBDRM CC[C@H](Nc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-])C(F)F ZINC001605105639 1193113964 /nfs/dbraw/zinc/11/39/64/1193113964.db2.gz FMIIWNDLNURHPE-RNEXMXFGSA-N -1 0 300.261 3.148 20 5 DGBDRM CC(C)CC1(CNC(=O)c2cc([N+](=O)[O-])ccc2[O-])CCC1 ZINC001545773345 1181763168 /nfs/dbraw/zinc/76/31/68/1181763168.db2.gz GIKPXVPMAUTIDT-UHFFFAOYSA-N -1 0 306.362 3.247 20 5 DGBDRM CC[C@@H]1CCCC[C@@H]1C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001605163432 1193122603 /nfs/dbraw/zinc/12/26/03/1193122603.db2.gz MPSXHKVLRHFZTR-YGRLFVJLSA-N -1 0 320.345 3.448 20 5 DGBDRM Cc1ccc(CC(=O)Nc2cc([N+](=O)[O-])ccc2[O-])cc1Cl ZINC001447270852 1182185520 /nfs/dbraw/zinc/18/55/20/1182185520.db2.gz 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O=C([O-])/C=C/c1ccc(N[C@@H]2CCC[C@H](F)C2)c([N+](=O)[O-])c1 ZINC001608661209 1193298573 /nfs/dbraw/zinc/29/85/73/1193298573.db2.gz OXRMRVDRTNPSLA-GAEWNOSXSA-N -1 0 308.309 3.385 20 5 DGBDRM O=C([O-])c1cccc(OC[C@H]2CCC3(CCC3)CO2)c1[N+](=O)[O-] ZINC001608936702 1193314829 /nfs/dbraw/zinc/31/48/29/1193314829.db2.gz HXJKMHHMNBALCY-LLVKDONJSA-N -1 0 321.329 3.021 20 5 DGBDRM O=C([O-])c1ccnc(N[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)c1[N+](=O)[O-] ZINC001608953338 1193316221 /nfs/dbraw/zinc/31/62/21/1193316221.db2.gz FLBGYURCMLBLSI-QJPTWQEYSA-N -1 0 319.361 3.459 20 5 DGBDRM O=C([O-])c1csc(CSCCc2ccc([N+](=O)[O-])cc2)n1 ZINC001608992890 1193318688 /nfs/dbraw/zinc/31/86/88/1193318688.db2.gz SFUONRSSTBBEQT-UHFFFAOYSA-N -1 0 324.383 3.225 20 5 DGBDRM C[C@H]1OCC[C@@H]1Sc1ccc([N+](=O)[O-])c(C(=O)[O-])c1Cl ZINC001609881294 1193362005 /nfs/dbraw/zinc/36/20/05/1193362005.db2.gz OZHKJHVOUKYEFD-SVRRBLITSA-N -1 0 317.750 3.216 20 5 DGBDRM Cc1c(NC(=O)N(C)C2CCCC2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001610419203 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C[C@H]1CC[C@H](N(C)C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000567953552 315466291 /nfs/dbraw/zinc/46/62/91/315466291.db2.gz UDKLYINUVOUPGM-WPRPVWTQSA-N -1 0 312.753 3.214 20 5 DGBDRM Cc1cc(NCCCC2CCOCC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000567978789 315467623 /nfs/dbraw/zinc/46/76/23/315467623.db2.gz RUHLKYBALGXKDN-UHFFFAOYSA-N -1 0 322.361 3.220 20 5 DGBDRM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ccc(Cl)o1 ZINC000180785648 323238034 /nfs/dbraw/zinc/23/80/34/323238034.db2.gz ZEVAUKBLYQNRSE-UHFFFAOYSA-N -1 0 317.084 3.453 20 5 DGBDRM Cc1cc(NC[C@@H](C)C(F)(F)F)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000579010928 323812384 /nfs/dbraw/zinc/81/23/84/323812384.db2.gz SHXVWAIOVOBLLE-SSDOTTSWSA-N -1 0 306.240 3.212 20 5 DGBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NC[C@H]2CC23CCSCC3)c1 ZINC000581192382 324085985 /nfs/dbraw/zinc/08/59/85/324085985.db2.gz AQMJBORHPCUNEM-LLVKDONJSA-N -1 0 322.386 3.238 20 5 DGBDRM CCO[C@H](CCNc1ccc([N+](=O)[O-])c(C(=O)[O-])c1)C(C)C ZINC000581827523 324156789 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DGBDRM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1cc(C2CC2)no1 ZINC000442885936 534817196 /nfs/dbraw/zinc/81/71/96/534817196.db2.gz MWNIETLYZOBGSX-UHFFFAOYSA-N -1 0 323.692 3.072 20 5 DGBDRM O=C(Nc1ccc(Cl)cc1F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000179384643 534830179 /nfs/dbraw/zinc/83/01/79/534830179.db2.gz DLCVHUZASATGRW-UHFFFAOYSA-N -1 0 310.668 3.345 20 5 DGBDRM CC(C)CCn1ccc([N-]c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])n1 ZINC000302042887 527884222 /nfs/dbraw/zinc/88/42/22/527884222.db2.gz SDVRTQUARTWUBH-UHFFFAOYSA-N -1 0 319.321 3.489 20 5 DGBDRM Cc1ccc(C(=O)NCCCCCCCC(=O)[O-])cc1[N+](=O)[O-] ZINC000197914428 546257163 /nfs/dbraw/zinc/25/71/63/546257163.db2.gz WKIPUOSZNLARHZ-UHFFFAOYSA-N -1 0 322.361 3.058 20 5 DGBDRM C[C@@H](C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1)c1ccsc1 ZINC000736215057 574736255 /nfs/dbraw/zinc/73/62/55/574736255.db2.gz IMUCHPYBKOPFIV-MRVPVSSYSA-N -1 0 320.326 3.097 20 5 DGBDRM C[C@@H](OC(=O)c1ccc(C(=O)[O-])cc1)c1cccc([N+](=O)[O-])c1 ZINC000736689370 574803170 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O=C([O-])c1ccc(-c2nc(-c3ccc([N+](=O)[O-])cc3)no2)s1 ZINC000740098133 574923182 /nfs/dbraw/zinc/92/31/82/574923182.db2.gz KPMHXVBUWFZGGT-UHFFFAOYSA-N -1 0 317.282 3.072 20 5 DGBDRM O=C([O-])/C=C/c1cnc(/C=C\c2ccccc2[N+](=O)[O-])s1 ZINC000748442157 575587147 /nfs/dbraw/zinc/58/71/47/575587147.db2.gz PPZOVYQQXCOUMR-CGXWXWIYSA-N -1 0 302.311 3.320 20 5 DGBDRM O=C([O-])/C=C\c1cnc(/C=C/c2ccccc2[N+](=O)[O-])s1 ZINC000748442163 575587162 /nfs/dbraw/zinc/58/71/62/575587162.db2.gz PPZOVYQQXCOUMR-YMBWGVAGSA-N -1 0 302.311 3.320 20 5 DGBDRM O=C(O[C@@H]1CCc2ccc(Cl)cc21)c1ccc([N+](=O)[O-])[n-]1 ZINC000727963052 576156433 /nfs/dbraw/zinc/15/64/33/576156433.db2.gz TVLCLFANAIVOTL-GFCCVEGCSA-N -1 0 306.705 3.421 20 5 DGBDRM CC[C@@H](CNc1nccc(C(=O)[O-])c1[N+](=O)[O-])c1ccccc1 ZINC000737785008 576188962 /nfs/dbraw/zinc/18/89/62/576188962.db2.gz XWWILTVGYDBLTO-NSHDSACASA-N -1 0 315.329 3.294 20 5 DGBDRM C[C@@H](CC(=O)[O-])Sc1ccc(Br)cc1[N+](=O)[O-] ZINC000090098839 600624926 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O=C([O-])c1ccc([N+](=O)[O-])c(CN(Cc2ccoc2)C2CC2)c1 ZINC000903946896 619843868 /nfs/dbraw/zinc/84/38/68/619843868.db2.gz OCSNQQAVZWPVJR-UHFFFAOYSA-N -1 0 316.313 3.051 20 5 DGBDRM C[C@@H]1C[C@@H](Nc2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])CCS1 ZINC000910335821 620287562 /nfs/dbraw/zinc/28/75/62/620287562.db2.gz ZBWZWGWUGCPBFV-PEWKINPCSA-N -1 0 322.386 3.389 20 5 DGBDRM CC[C@H]1c2ccccc2CN1c1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000910388471 620292363 /nfs/dbraw/zinc/29/23/63/620292363.db2.gz IDWQVZUWRYAMMB-ZDUSSCGKSA-N -1 0 313.313 3.159 20 5 DGBDRM CC[C@H]1c2ccccc2CN1c1ncc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000910388353 620292464 /nfs/dbraw/zinc/29/24/64/620292464.db2.gz GEZWCGGWOQYEQJ-ZDUSSCGKSA-N -1 0 313.313 3.159 20 5 DGBDRM C[C@@H]1c2sccc2CCN1C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000921515122 620894537 /nfs/dbraw/zinc/89/45/37/620894537.db2.gz YUEVZWHVDIAQBU-SECBINFHSA-N -1 0 318.354 3.121 20 5 DGBDRM CCc1ccc(OC(=O)c2ccc([O-])c([N+](=O)[O-])c2)c(OC)c1 ZINC000755645921 621582737 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432051985 /nfs/dbraw/zinc/05/19/85/432051985.db2.gz FQENTULFQNCDQG-RYUDHWBXSA-N -1 0 324.402 3.047 20 5 DGBDRM Cc1cc(NCCC(C)(C)C(=O)[O-])c2cccc([N+](=O)[O-])c2n1 ZINC000424375379 237896021 /nfs/dbraw/zinc/89/60/21/237896021.db2.gz MYROVRKGBLCGDX-UHFFFAOYSA-N -1 0 317.345 3.364 20 5 DGBDRM C[C@@H](N=c1nc(C(C)(C)C)[n-]s1)c1ccccc1[N+](=O)[O-] ZINC000477763021 296031777 /nfs/dbraw/zinc/03/17/77/296031777.db2.gz VBDWDAKFNYOSEV-SECBINFHSA-N -1 0 306.391 3.339 20 5 DGBDRM CCn1c(SCc2cc([O-])ccc2[N+](=O)[O-])nnc1C1CC1 ZINC000436477434 238458882 /nfs/dbraw/zinc/45/88/82/238458882.db2.gz WWBYIDDLMCYBTL-UHFFFAOYSA-N -1 0 320.374 3.082 20 5 DGBDRM C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1[O-])c1c(F)cccc1F ZINC000436740039 238524719 /nfs/dbraw/zinc/52/47/19/238524719.db2.gz PJYFXZMFMZHLEJ-QMMMGPOBSA-N -1 0 322.267 3.070 20 5 DGBDRM O=C(Nc1ccc2ncsc2c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436955974 238581773 /nfs/dbraw/zinc/58/17/73/238581773.db2.gz OGCXEXOCXPEWKT-UHFFFAOYSA-N -1 0 315.310 3.162 20 5 DGBDRM Cc1nc(=NC(=O)c2cc3ccccc3c3cccnc23)s[n-]1 ZINC000440290185 238939028 /nfs/dbraw/zinc/93/90/28/238939028.db2.gz HZEOKLZIDPSHAD-UHFFFAOYSA-N -1 0 320.377 3.222 20 5 DGBDRM CCC[C@@]1(C)CCCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000164824529 283722651 /nfs/dbraw/zinc/72/26/51/283722651.db2.gz HYDZZYKNKQKCBJ-INIZCTEOSA-N -1 0 306.362 3.343 20 5 DGBDRM Cc1cccc([C@@H](C)CNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1 ZINC000119035949 284132778 /nfs/dbraw/zinc/13/27/78/284132778.db2.gz HSTFQERUWCDXCE-LBPRGKRZSA-N -1 0 314.341 3.142 20 5 DGBDRM Cc1cccc(CCC(=O)Nc2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000120192068 284163038 /nfs/dbraw/zinc/16/30/38/284163038.db2.gz WRGWTNAMWODTIN-UHFFFAOYSA-N -1 0 300.314 3.180 20 5 DGBDRM Cc1ccc(C[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000489153267 245276054 /nfs/dbraw/zinc/27/60/54/245276054.db2.gz MHHNMKXGEVKLBI-LBPRGKRZSA-N -1 0 314.341 3.426 20 5 DGBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CCC[C@H]2CCCC[C@@H]21 ZINC000269271870 296183651 /nfs/dbraw/zinc/18/36/51/296183651.db2.gz GSVWMKPIZXXYND-ABAIWWIYSA-N -1 0 304.346 3.095 20 5 DGBDRM Cc1ccc(O[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000021028308 182262218 /nfs/dbraw/zinc/26/22/18/182262218.db2.gz ZKGZSSIQJOTYID-LLVKDONJSA-N -1 0 316.313 3.015 20 5 DGBDRM CCC[C@H](Nc1ccc(Br)cc1[N+](=O)[O-])C(=O)[O-] ZINC000036838410 182847499 /nfs/dbraw/zinc/84/74/99/182847499.db2.gz LKDDMIAOMWJCON-VIFPVBQESA-N -1 0 317.139 3.023 20 5 DGBDRM C[C@@H](CCNC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1ccccc1 ZINC000337113779 253048146 /nfs/dbraw/zinc/04/81/46/253048146.db2.gz FYKBBLMHCLZIII-LBPRGKRZSA-N -1 0 314.341 3.224 20 5 DGBDRM O=C(Cc1cccc(C(F)F)c1)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000344531135 254280182 /nfs/dbraw/zinc/28/01/82/254280182.db2.gz BUGNKFPSDCNLNG-UHFFFAOYSA-N -1 0 322.267 3.419 20 5 DGBDRM C[C@H](NC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1cccc(F)c1F ZINC000356737348 285466486 /nfs/dbraw/zinc/46/64/86/285466486.db2.gz ZAOADMANKBPMKX-QMMMGPOBSA-N -1 0 322.267 3.070 20 5 DGBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CCC=C(c2ccccc2)C1 ZINC000357022011 285608384 /nfs/dbraw/zinc/60/83/84/285608384.db2.gz RRKYADSQZWAGRX-UHFFFAOYSA-N -1 0 324.336 3.230 20 5 DGBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CCC[C@@H](C3CCC3)C2)n1 ZINC000595280434 400115558 /nfs/dbraw/zinc/11/55/58/400115558.db2.gz HACKBSMUQSLESS-GFCCVEGCSA-N -1 0 319.361 3.013 20 5 DGBDRM Cc1cc(NC[C@@H]2C(C)(C)C2(F)F)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000595278419 400116040 /nfs/dbraw/zinc/11/60/40/400116040.db2.gz ZOSGNDAYBZHARJ-SNVBAGLBSA-N -1 0 314.288 3.305 20 5 DGBDRM CCSC1(CNc2cc(C)c([N+](=O)[O-])c(C(=O)[O-])c2)CC1 ZINC000595277484 400116108 /nfs/dbraw/zinc/11/61/08/400116108.db2.gz LCFGNWCKJREERM-UHFFFAOYSA-N -1 0 310.375 3.299 20 5 DGBDRM Cc1cccc([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000092545926 400180413 /nfs/dbraw/zinc/18/04/13/400180413.db2.gz ZJFKAVDPBLXDHY-NSHDSACASA-N -1 0 300.314 3.351 20 5 DGBDRM C/C=C/C[C@@H]1CCCN(c2nc(C)cc(C(=O)[O-])c2[N+](=O)[O-])C1 ZINC000600679409 400127996 /nfs/dbraw/zinc/12/79/96/400127996.db2.gz WBNRZPISSPEBIL-AAOUONPWSA-N -1 0 319.361 3.179 20 5 DGBDRM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CC[C@@H]1c1cccc(F)c1 ZINC000610358720 400249737 /nfs/dbraw/zinc/24/97/37/400249737.db2.gz HCMXZHYAGJBSMP-CYBMUJFWSA-N -1 0 316.288 3.027 20 5 DGBDRM CN(Cc1nc(=O)c2sccc2[n-]1)c1ccsc1[N+](=O)[O-] ZINC000589558457 400304814 /nfs/dbraw/zinc/30/48/14/400304814.db2.gz HHIVPJOACRXIIQ-UHFFFAOYSA-N -1 0 322.371 3.003 20 5 DGBDRM Cc1ccc(CN(C(=O)c2cccc([N+](=O)[O-])c2[O-])C2CC2)o1 ZINC000610874939 400318268 /nfs/dbraw/zinc/31/82/68/400318268.db2.gz BQMVBMNJFIOXTL-UHFFFAOYSA-N -1 0 316.313 3.007 20 5 DGBDRM O=c1c2c([n-]n1-c1ccc([N+](=O)[O-])cc1F)CCCCCC2 ZINC000601943133 400382859 /nfs/dbraw/zinc/38/28/59/400382859.db2.gz PDEPDMMWOLOSSN-LLVKDONJSA-N -1 0 305.309 3.407 20 5 DGBDRM O=c1[nH]ccc(N2CCC(F)(c3ccccc3)CC2)c1[N+](=O)[O-] ZINC000596215487 400352031 /nfs/dbraw/zinc/35/20/31/400352031.db2.gz UGQZTTYOJCRVRB-UHFFFAOYSA-N -1 0 317.320 3.161 20 5 DGBDRM O=C([O-])CCCCNc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000070200326 400353353 /nfs/dbraw/zinc/35/33/53/400353353.db2.gz OOVSOSVVPIFBTK-UHFFFAOYSA-N -1 0 306.240 3.280 20 5 DGBDRM C[C@@H]1CC[C@H](C(F)(F)F)CN1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000611561514 400422296 /nfs/dbraw/zinc/42/22/96/400422296.db2.gz UUQWAXIMZXTRFZ-KOLCDFICSA-N -1 0 318.295 3.463 20 5 DGBDRM CC[C@@H](NC(=O)c1ccc([O-])c([N+](=O)[O-])c1)C1CCCCC1 ZINC000612534672 400560354 /nfs/dbraw/zinc/56/03/54/400560354.db2.gz FIAPSLFAZIWQOG-CYBMUJFWSA-N -1 0 306.362 3.389 20 5 DGBDRM C[C@@H]1CCC(C)(C)N1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000597753016 400667081 /nfs/dbraw/zinc/66/70/81/400667081.db2.gz MEJIKNPVGJENLB-MRVPVSSYSA-N -1 0 312.753 3.357 20 5 DGBDRM Cc1sc(NC(=O)c2cccc([O-])c2[N+](=O)[O-])nc1C(C)C ZINC000597895378 400689948 /nfs/dbraw/zinc/68/99/48/400689948.db2.gz WTKYGWPMLNDNAE-UHFFFAOYSA-N -1 0 321.358 3.441 20 5 DGBDRM Cc1cc(N2CC[C@H](c3ccco3)C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000592971203 400722554 /nfs/dbraw/zinc/72/25/54/400722554.db2.gz IMRQQVSLEXYYRX-NSHDSACASA-N -1 0 316.313 3.188 20 5 DGBDRM CC(C)OC1CCC(Nc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)CC1 ZINC000592976847 400723368 /nfs/dbraw/zinc/72/33/68/400723368.db2.gz AWKSKDNEJTVGQI-UHFFFAOYSA-N -1 0 322.361 3.441 20 5 DGBDRM Cc1nc(N[C@H]2C[C@H](C(=O)[O-])c3ccccc32)ccc1[N+](=O)[O-] ZINC000592980434 400723504 /nfs/dbraw/zinc/72/35/04/400723504.db2.gz FUGBGSRDLOQJTG-STQMWFEESA-N -1 0 313.313 3.023 20 5 DGBDRM CC(C)(C)[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)CCO1 ZINC000592977534 400723542 /nfs/dbraw/zinc/72/35/42/400723542.db2.gz QPFOBECHVHSDGG-RISCZKNCSA-N -1 0 322.361 3.299 20 5 DGBDRM CC(C)(C)[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)CCO1 ZINC000592977532 400723581 /nfs/dbraw/zinc/72/35/81/400723581.db2.gz QPFOBECHVHSDGG-BXUZGUMPSA-N -1 0 322.361 3.299 20 5 DGBDRM CN(C[C@H]1CC=CCC1)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000592787421 400702539 /nfs/dbraw/zinc/70/25/39/400702539.db2.gz OABAKPFVMCSUMG-JTQLQIEISA-N -1 0 324.764 3.382 20 5 DGBDRM Cc1cc(NCC[C@H]2CC2(F)F)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000598736145 400870025 /nfs/dbraw/zinc/87/00/25/400870025.db2.gz UKJSBCWRQKNZSN-QMMMGPOBSA-N -1 0 300.261 3.059 20 5 DGBDRM C[C@H](c1ccc(C(=O)[O-])o1)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000593732622 400900187 /nfs/dbraw/zinc/90/01/87/400900187.db2.gz PJBVVMFUHKOJGI-SNVBAGLBSA-N -1 0 304.302 3.079 20 5 DGBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N2CCC(c3ccco3)CC2)c1 ZINC000594735493 401163963 /nfs/dbraw/zinc/16/39/63/401163963.db2.gz HYNPKBNZTNTKRY-UHFFFAOYSA-N -1 0 316.313 3.270 20 5 DGBDRM O=C([O-])C[C@H](CNc1nccc2c1cccc2[N+](=O)[O-])C1CC1 ZINC000594734798 401164251 /nfs/dbraw/zinc/16/42/51/401164251.db2.gz FLLGEURJBUKHEC-LLVKDONJSA-N -1 0 315.329 3.056 20 5 DGBDRM O=C([O-])c1ccnc(N2CC[C@@H](C3CCCCC3)C2)c1[N+](=O)[O-] ZINC000594735012 401164738 /nfs/dbraw/zinc/16/47/38/401164738.db2.gz FRODICVRTFWDDP-GFCCVEGCSA-N -1 0 319.361 3.095 20 5 DGBDRM Cc1cc([C@H](C)NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)c(C)o1 ZINC000164403318 228264238 /nfs/dbraw/zinc/26/42/38/228264238.db2.gz LFZSJDBZOPVING-VIFPVBQESA-N -1 0 304.302 3.001 20 5 DGBDRM O=C(Nc1ccc2ncccc2c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000179432507 228350816 /nfs/dbraw/zinc/35/08/16/228350816.db2.gz CUNWSBSDHDUCQW-UHFFFAOYSA-N -1 0 309.281 3.101 20 5 DGBDRM O=C(Nc1cccc2cccnc21)c1cc([N+](=O)[O-])ccc1[O-] ZINC000179391018 228350830 /nfs/dbraw/zinc/35/08/30/228350830.db2.gz CRXGOWMVWPIRDD-UHFFFAOYSA-N -1 0 309.281 3.101 20 5 DGBDRM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CCc2c1cccc2Cl ZINC000182099450 228366107 /nfs/dbraw/zinc/36/61/07/228366107.db2.gz MJBIMOWKKBMUKA-UHFFFAOYSA-N -1 0 318.716 3.157 20 5 DGBDRM Cc1cccc(C)c1[C@H](C)NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000355354436 266048536 /nfs/dbraw/zinc/04/85/36/266048536.db2.gz ZFMXABXWHIQHFH-LBPRGKRZSA-N -1 0 314.341 3.408 20 5 DGBDRM C[C@@H](c1ccc(F)cc1)N(C)C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000355483323 266089646 /nfs/dbraw/zinc/08/96/46/266089646.db2.gz FMLMCBIOKDEXEZ-JTQLQIEISA-N -1 0 318.304 3.273 20 5 DGBDRM CCOc1ccc(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cc1F ZINC000355639441 266140141 /nfs/dbraw/zinc/14/01/41/266140141.db2.gz YWORZTOCLFMSPM-UHFFFAOYSA-N -1 0 320.276 3.091 20 5 DGBDRM Cc1cc(C)cc(N(C)C(=O)c2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC000355944122 266236916 /nfs/dbraw/zinc/23/69/16/266236916.db2.gz RGKIQGQUDSEYGT-UHFFFAOYSA-N -1 0 300.314 3.194 20 5 DGBDRM CC[C@H](NC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1ccc(C)cc1 ZINC000356197310 266314860 /nfs/dbraw/zinc/31/48/60/266314860.db2.gz INDKQPUXNWVGAL-INIZCTEOSA-N -1 0 314.341 3.490 20 5 DGBDRM CC[C@@H](CNC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1ccccc1 ZINC000356219559 266321222 /nfs/dbraw/zinc/32/12/22/266321222.db2.gz MDXBDZYDFMVVIR-LBPRGKRZSA-N -1 0 314.341 3.224 20 5 DGBDRM CN(CCCc1ccccc1)C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000356324534 266354458 /nfs/dbraw/zinc/35/44/58/266354458.db2.gz LEKJFDOKCKLVGC-UHFFFAOYSA-N -1 0 314.341 3.005 20 5 DGBDRM CCN(Cc1cccc(F)c1)C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000070898667 431264693 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Cc1cc(C)cc([C@@H](C)NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC000356542500 433614817 /nfs/dbraw/zinc/61/48/17/433614817.db2.gz ACSUHLPXZJNDGJ-GFCCVEGCSA-N -1 0 314.341 3.408 20 5 DGBDRM CC[C@H](C)[C@@H]1CCCCN1C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000356791096 433699522 /nfs/dbraw/zinc/69/95/22/433699522.db2.gz XZSLRUNAYFSUHC-NHYWBVRUSA-N -1 0 306.362 3.341 20 5 DGBDRM CS[C@H](C)CCC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000351766037 433711716 /nfs/dbraw/zinc/71/17/16/433711716.db2.gz VYKPSTGLNSIDOC-SSDOTTSWSA-N -1 0 318.782 3.424 20 5 DGBDRM CC(C)[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1[O-])c1cccnc1 ZINC000436152830 433889591 /nfs/dbraw/zinc/88/95/91/433889591.db2.gz KOBPHBVEAFRLKP-OAHLLOKOSA-N -1 0 315.329 3.074 20 5 DGBDRM C[C@@H](CCNC(=O)c1ccc([O-])c([N+](=O)[O-])c1)c1ccccc1 ZINC000436482603 433978339 /nfs/dbraw/zinc/97/83/39/433978339.db2.gz ANECCTNUCRWLON-LBPRGKRZSA-N -1 0 314.341 3.224 20 5 DGBDRM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CCc2cc(Cl)ccc21 ZINC000436556106 434010833 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DGBDRM O=C(Nc1cnc2ccccc2c1)c1cccc([N+](=O)[O-])c1[O-] ZINC000391788535 434385314 /nfs/dbraw/zinc/38/53/14/434385314.db2.gz VKCKIBDAPMVIIS-UHFFFAOYSA-N -1 0 309.281 3.101 20 5 DGBDRM CC[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1[O-])CC(F)(F)F ZINC000402471350 434501959 /nfs/dbraw/zinc/50/19/59/434501959.db2.gz IHPCBASHLADXQD-MRVPVSSYSA-N -1 0 320.267 3.009 20 5 DGBDRM CC(C)[C@@H](CC(F)(F)F)NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000438604100 434517079 /nfs/dbraw/zinc/51/70/79/434517079.db2.gz YNPDKKUZMDQMKF-SECBINFHSA-N -1 0 320.267 3.007 20 5 DGBDRM Cc1cc(N2CCS[C@@H](C(C)C)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000573210740 434882749 /nfs/dbraw/zinc/88/27/49/434882749.db2.gz VLBRMPUMCQNXOR-CYBMUJFWSA-N -1 0 324.402 3.179 20 5 DGBDRM Cc1cc(N[C@@H]2CCO[C@H](C(C)C)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000574159566 434954935 /nfs/dbraw/zinc/95/49/35/434954935.db2.gz MMFDQWPATYZPKQ-RISCZKNCSA-N -1 0 322.361 3.217 20 5 DGBDRM O=C([O-])c1cnc(N2CCC[C@@]3(CC=CCC3)C2)c([N+](=O)[O-])c1 ZINC000578536564 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322.361 3.359 20 5 DGBDRM CCc1ccc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1C ZINC000538756075 435519829 /nfs/dbraw/zinc/51/98/29/435519829.db2.gz HABOMRHBXJAPOV-UHFFFAOYSA-N -1 0 320.370 3.266 20 5 DGBDRM O=C([O-])c1ccoc1CN(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000515489275 435489173 /nfs/dbraw/zinc/48/91/73/435489173.db2.gz AUWUZZZMELXGGF-UHFFFAOYSA-N -1 0 316.313 3.051 20 5 DGBDRM CCc1noc(C)c1CNc1cc(C)c([N+](=O)[O-])cc1C(=O)[O-] ZINC000517238932 435584636 /nfs/dbraw/zinc/58/46/36/435584636.db2.gz JYDBUWRAKQJGPL-UHFFFAOYSA-N -1 0 319.317 3.072 20 5 DGBDRM CCCC[C@H](Sc1ncnc2cccc([N+](=O)[O-])c21)C(=O)[O-] ZINC000517960968 435621530 /nfs/dbraw/zinc/62/15/30/435621530.db2.gz MOWZHBJOHGJJSK-NSHDSACASA-N -1 0 321.358 3.274 20 5 DGBDRM O=C([O-])c1cc(N[C@H]2CCCC23CCOCC3)ccc1[N+](=O)[O-] ZINC000518380870 435635655 /nfs/dbraw/zinc/63/56/55/435635655.db2.gz DDUSZCJZGCSZOM-AWEZNQCLSA-N -1 0 320.345 3.054 20 5 DGBDRM C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])[C@@H]2CCCC[C@H]12 ZINC000547859805 435654002 /nfs/dbraw/zinc/65/40/02/435654002.db2.gz QKSVUSXMFRVINE-UXIGCNINSA-N -1 0 318.373 3.341 20 5 DGBDRM Cc1cccnc1CCCNc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000571213560 435685577 /nfs/dbraw/zinc/68/55/77/435685577.db2.gz IJWGIYRIDPPMEW-UHFFFAOYSA-N -1 0 315.329 3.041 20 5 DGBDRM CCOc1cccc(CNc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)c1 ZINC000549915906 435784460 /nfs/dbraw/zinc/78/44/60/435784460.db2.gz MSIVCEONFOXCFH-UHFFFAOYSA-N -1 0 316.313 3.304 20 5 DGBDRM CC(C)(C)[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1[O-])C(F)(F)F ZINC000541862088 314043568 /nfs/dbraw/zinc/04/35/68/314043568.db2.gz VJSBJKXTCOGPHU-LLVKDONJSA-N -1 0 320.267 3.007 20 5 DGBDRM CC(C)SCC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000542761580 314094872 /nfs/dbraw/zinc/09/48/72/314094872.db2.gz BOICLZGHAOYPTM-UHFFFAOYSA-N -1 0 304.755 3.034 20 5 DGBDRM CSCc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000542791486 314097597 /nfs/dbraw/zinc/09/75/97/314097597.db2.gz BGLNBRIAFVTZNN-UHFFFAOYSA-N -1 0 318.354 3.416 20 5 DGBDRM 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CC(C)c1nc(/C=C/c2ccccc2[N+](=O)[O-])ncc1C(=O)[O-] ZINC000172488174 400829148 /nfs/dbraw/zinc/82/91/48/400829148.db2.gz VWJPDXSXCKHBEK-BQYQJAHWSA-N -1 0 313.313 3.377 20 5 DGBDRM O=C(c1cccc([O-])c1[N+](=O)[O-])N1CCC[C@@H]2CCCC[C@@H]21 ZINC000598569443 400831661 /nfs/dbraw/zinc/83/16/61/400831661.db2.gz NNMBLNBHKOFJCZ-AAEUAGOBSA-N -1 0 304.346 3.095 20 5 DGBDRM CCC[C@@H](OCC)C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000599735075 401128864 /nfs/dbraw/zinc/12/88/64/401128864.db2.gz HHXDEMWLZYAXSV-LLVKDONJSA-N -1 0 316.741 3.098 20 5 DGBDRM O=[N+]([O-])c1ccc(-c2nc(Cc3cccs3)no2)cc1[O-] ZINC000358716401 286132046 /nfs/dbraw/zinc/13/20/46/286132046.db2.gz UOKZCNWEJFPBNZ-UHFFFAOYSA-N -1 0 303.299 3.003 20 5 DGBDRM Cc1cc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2)sc1C ZINC000360043366 286413428 /nfs/dbraw/zinc/41/34/28/286413428.db2.gz XPUYMDDPLSQNAA-UHFFFAOYSA-N -1 0 312.372 3.074 20 5 DGBDRM CCCC[C@@H](Nc1ccc([N+](=O)[O-])c2cnccc12)C(=O)[O-] ZINC000261670277 165731382 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DGBDRM C[C@H](c1ccccc1F)N(C)C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000164150267 228264107 /nfs/dbraw/zinc/26/41/07/228264107.db2.gz FUPYOEYIWKGHHZ-SNVBAGLBSA-N -1 0 318.304 3.273 20 5 DGBDRM O=C(NCc1ccc([N+](=O)[O-])cc1)c1cc(F)cc(Cl)c1[O-] ZINC000177087989 228324600 /nfs/dbraw/zinc/32/46/00/228324600.db2.gz KRAAJYHGKOZKRL-UHFFFAOYSA-N -1 0 324.695 3.023 20 5 DGBDRM C[C@H](c1ccccc1)N(C)C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000179398876 228350915 /nfs/dbraw/zinc/35/09/15/228350915.db2.gz PJHFOCDJVROUFW-LLVKDONJSA-N -1 0 300.314 3.134 20 5 DGBDRM Cc1cc(C)cc(N(C)C(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1 ZINC000183450767 228374556 /nfs/dbraw/zinc/37/45/56/228374556.db2.gz CJWMZPRGWGUPCS-UHFFFAOYSA-N -1 0 300.314 3.194 20 5 DGBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1cc2c(s1)CCCC2 ZINC000216596908 263834952 /nfs/dbraw/zinc/83/49/52/263834952.db2.gz RTWDVPMYBBTQDB-UHFFFAOYSA-N -1 0 318.354 3.493 20 5 DGBDRM Cc1cc(C)c(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)c(C)c1 ZINC000355627134 266135935 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DGBDRM C[C@@H](c1ccccc1F)N(C)C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000074378747 431419197 /nfs/dbraw/zinc/41/91/97/431419197.db2.gz LLADJWBLJVLFMU-JTQLQIEISA-N -1 0 318.304 3.273 20 5 DGBDRM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CCC[C@H]1c1ccccc1 ZINC000073801206 431383271 /nfs/dbraw/zinc/38/32/71/431383271.db2.gz QAAOZTDHARQSQP-AWEZNQCLSA-N -1 0 312.325 3.278 20 5 DGBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1c(F)cccc1Cl ZINC000075283652 431465304 /nfs/dbraw/zinc/46/53/04/431465304.db2.gz WHXBPFGQUQDMBU-UHFFFAOYSA-N -1 0 310.668 3.345 20 5 DGBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CCC[C@@H]1c1ccsc1 ZINC000119020653 431633432 /nfs/dbraw/zinc/63/34/32/431633432.db2.gz OEOHQRGYBMYSFQ-GFCCVEGCSA-N -1 0 318.354 3.339 20 5 DGBDRM CC(C)CC[C@@H]1CCCN1C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000119263304 431667664 /nfs/dbraw/zinc/66/76/64/431667664.db2.gz CPGNWQRBQQZLLJ-ZDUSSCGKSA-N -1 0 306.362 3.341 20 5 DGBDRM CCSc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])cn1 ZINC000089531529 431869491 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Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(F)c2)c1[N+](=O)[O-] ZINC000189224548 432772598 /nfs/dbraw/zinc/77/25/98/432772598.db2.gz OPZGWQMLHRCHHN-UHFFFAOYSA-N -1 0 324.333 3.152 20 5 DGBDRM CCS[C@@H]1CC[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])c([O-])c2)C1 ZINC000162877058 432836864 /nfs/dbraw/zinc/83/68/64/432836864.db2.gz MOUGUIGDLQFTRW-VXGBXAGGSA-N -1 0 324.402 3.047 20 5 DGBDRM Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(C(=O)[O-])c(C)c2)c1 ZINC000237778454 432800981 /nfs/dbraw/zinc/80/09/81/432800981.db2.gz VOWSDMBUCDAMGQ-UHFFFAOYSA-N -1 0 314.297 3.162 20 5 DGBDRM CC(C)(C)[C@@H]1CCCN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)C1 ZINC000331094965 432929665 /nfs/dbraw/zinc/92/96/65/432929665.db2.gz ZVMISWWRMCWSSS-GFCCVEGCSA-N -1 0 306.362 3.199 20 5 DGBDRM CC(C)(C)[C@H]1CCCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000331242464 432937392 /nfs/dbraw/zinc/93/73/92/432937392.db2.gz PKRGYUMWBXHGPE-LBPRGKRZSA-N -1 0 306.362 3.199 20 5 DGBDRM O=C(N[C@@H]1CC[C@H]2CCCC[C@H]2C1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000332592045 433010215 /nfs/dbraw/zinc/01/02/15/433010215.db2.gz JUIKAOLMHCNSKR-FRRDWIJNSA-N -1 0 318.373 3.389 20 5 DGBDRM C[C@@H](CC(F)F)C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000412236597 433115405 /nfs/dbraw/zinc/11/54/05/433115405.db2.gz WDLUDLBNQNDNHG-YFKPBYRVSA-N -1 0 308.668 3.184 20 5 DGBDRM Cc1cccc(C)c1[C@@H](C)NC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000354790365 433274861 /nfs/dbraw/zinc/27/48/61/433274861.db2.gz KVJSFFYIQTYZHY-GFCCVEGCSA-N -1 0 314.341 3.408 20 5 DGBDRM CCC[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1[O-])c1ccccn1 ZINC000339352268 433527687 /nfs/dbraw/zinc/52/76/87/433527687.db2.gz LIBMYZNYRKBDTQ-LBPRGKRZSA-N -1 0 315.329 3.218 20 5 DGBDRM CCOCc1cccc(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC000356509323 433593558 /nfs/dbraw/zinc/59/35/58/433593558.db2.gz GUNNNLLPKNAKLX-UHFFFAOYSA-N -1 0 316.313 3.089 20 5 DGBDRM Cc1ccsc1S(=O)(=O)[N-]c1cc([N+](=O)[O-])ccc1C ZINC000356673679 433647388 /nfs/dbraw/zinc/64/73/88/433647388.db2.gz BBLONRQGVNFHDV-UHFFFAOYSA-N -1 0 312.372 3.074 20 5 DGBDRM O=C([O-])[C@@H]1CC[C@H](Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000316388254 292892987 /nfs/dbraw/zinc/89/29/87/292892987.db2.gz USJHNSRHZJTQRE-APPZFPTMSA-N -1 0 318.251 3.279 20 5 DGBDRM CC(C)[C@@H]1CN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)[C@H]1C(C)C ZINC000456355935 433613256 /nfs/dbraw/zinc/61/32/56/433613256.db2.gz XGLIEFOQQUIPRN-WFASDCNBSA-N -1 0 306.362 3.053 20 5 DGBDRM CSc1c(F)cccc1C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000436159558 433893824 /nfs/dbraw/zinc/89/38/24/433893824.db2.gz YVGWXEZJKUJVBJ-UHFFFAOYSA-N -1 0 322.317 3.414 20 5 DGBDRM Cc1cc(CNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)ccc1Cl ZINC000352226856 433993431 /nfs/dbraw/zinc/99/34/31/433993431.db2.gz IWECMURCNNENOE-UHFFFAOYSA-N -1 0 320.732 3.192 20 5 DGBDRM COc1ccc(NC(=O)c2ccc([O-])c(Cl)c2)cc1[N+](=O)[O-] ZINC000436743191 434093346 /nfs/dbraw/zinc/09/33/46/434093346.db2.gz YIUAZWQJAIVSEK-UHFFFAOYSA-N -1 0 322.704 3.215 20 5 DGBDRM CC(C)[C@@H]1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)C1 ZINC000508529445 294324602 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CC(C)CSCCNc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC001591422316 992502122 /nfs/dbraw/zinc/50/21/22/992502122.db2.gz ARQYKFRFZNPJPU-XQRVVYSFSA-N -1 0 324.402 3.494 20 5 DGBDRM C[C@@H](OC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1)c1cccc([N+](=O)[O-])c1 ZINC001593562088 995649197 /nfs/dbraw/zinc/64/91/97/995649197.db2.gz DOGZRKWDCIBTTO-IJLUTSLNSA-N -1 0 321.329 3.090 20 5 DGBDRM C[C@H](OC(=O)c1cccc(C(=O)[O-])c1)c1ccccc1[N+](=O)[O-] ZINC001593585812 995704028 /nfs/dbraw/zinc/70/40/28/995704028.db2.gz LPKNTOYOYVLZFL-JTQLQIEISA-N -1 0 315.281 3.211 20 5 DGBDRM COCC1(CCNc2cc(C)c([N+](=O)[O-])cc2C(=O)[O-])CCC1 ZINC001599198022 997252952 /nfs/dbraw/zinc/25/29/52/997252952.db2.gz IWIARKKGTANQIF-UHFFFAOYSA-N -1 0 322.361 3.220 20 5 DGBDRM COCC1CCC(Nc2cc(C)c([N+](=O)[O-])cc2C(=O)[O-])CC1 ZINC001599204677 997384101 /nfs/dbraw/zinc/38/41/01/997384101.db2.gz RUFJEAHCAXZJKO-UHFFFAOYSA-N -1 0 322.361 3.219 20 5 DGBDRM COCC[C@H](C)CNc1ccc([N+](=O)[O-])c(C(=O)[O-])c1Cl ZINC001599210471 997491242 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DGBDRM C[C@@H]1CCC[C@H](C2CN(C(=O)c3ccc([N+](=O)[O-])cc3[O-])C2)C1 ZINC001152403173 1087967149 /nfs/dbraw/zinc/96/71/49/1087967149.db2.gz TVEQOVMWLUKJJS-NEPJUHHUSA-N -1 0 318.373 3.199 20 5 DGBDRM Cc1ccc([N-]c2cc([C@H]3CCCCN3)no2)c([N+](=O)[O-])c1 ZINC001159314109 1088285439 /nfs/dbraw/zinc/28/54/39/1088285439.db2.gz XYIYKJQQUVLSFS-LLVKDONJSA-N -1 0 302.334 3.449 20 5 DGBDRM Cc1conc1NC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001128827274 1091094266 /nfs/dbraw/zinc/09/42/66/1091094266.db2.gz QWXVXBQNXVBEHU-UHFFFAOYSA-N -1 0 315.207 3.162 20 5 DGBDRM CC(C)C1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC001294664449 1091427495 /nfs/dbraw/zinc/42/74/95/1091427495.db2.gz SJYPQIYHSLCYKT-UHFFFAOYSA-N -1 0 306.362 3.245 20 5 DGBDRM C[C@@H]1CCC[C@@H](CNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)[C@H]1C ZINC001139523794 1091584737 /nfs/dbraw/zinc/58/47/37/1091584737.db2.gz KHOVGOQRHMCSDX-WOPDTQHZSA-N -1 0 306.362 3.103 20 5 DGBDRM Cc1ccc([C@H](C)Nc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)nc1 ZINC001168861493 1092402228 /nfs/dbraw/zinc/40/22/28/1092402228.db2.gz XFQKBUOGKDMGNX-JTQLQIEISA-N -1 0 301.302 3.170 20 5 DGBDRM CC(=O)Oc1ccc(F)c(Nc2ccc([O-])c([N+](=O)[O-])c2)c1 ZINC001210398759 1093154689 /nfs/dbraw/zinc/15/46/89/1093154689.db2.gz KRXGHQVRKJOAQB-UHFFFAOYSA-N -1 0 306.249 3.108 20 5 DGBDRM O=[N+]([O-])c1cccc([O-])c1-c1nc(-c2ccc(F)cc2F)no1 ZINC001216845202 1094269569 /nfs/dbraw/zinc/26/95/69/1094269569.db2.gz BRLIUZJPUUFKFX-UHFFFAOYSA-N -1 0 319.223 3.296 20 5 DGBDRM O=[N+]([O-])c1cc([O-])ccc1-c1nc(-c2ccc(F)cc2F)no1 ZINC001216890647 1094274586 /nfs/dbraw/zinc/27/45/86/1094274586.db2.gz FPDQRQNNJBYYPQ-UHFFFAOYSA-N -1 0 319.223 3.296 20 5 DGBDRM Cc1ccnc(-c2noc(-c3cc([N+](=O)[O-])c([O-])cc3C)n2)c1 ZINC001217096131 1094304629 /nfs/dbraw/zinc/30/46/29/1094304629.db2.gz KGBWSIOACCPYHV-UHFFFAOYSA-N -1 0 312.285 3.029 20 5 DGBDRM C[C@@H]1CCCC[C@@H]1NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001135512616 1094564628 /nfs/dbraw/zinc/56/46/28/1094564628.db2.gz GNNSPABODQGLAA-KCJUWKMLSA-N -1 0 312.753 3.262 20 5 DGBDRM O=C(Nc1cccc(-n2cccc2)c1)c1ccc([N+](=O)[O-])cc1[O-] ZINC001136161932 1094916490 /nfs/dbraw/zinc/91/64/90/1094916490.db2.gz AIJBFJACJJAJDO-UHFFFAOYSA-N -1 0 323.308 3.343 20 5 DGBDRM COc1c(Cl)cccc1NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC001136398673 1095019337 /nfs/dbraw/zinc/01/93/37/1095019337.db2.gz QRENGTPCKZCCAP-UHFFFAOYSA-N -1 0 322.704 3.215 20 5 DGBDRM CC[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1[O-])C1CCCCC1 ZINC001136519004 1095060687 /nfs/dbraw/zinc/06/06/87/1095060687.db2.gz AKEPVMHYQIIEKS-CQSZACIVSA-N -1 0 306.362 3.389 20 5 DGBDRM CCn1cccc1C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001137826385 1095754076 /nfs/dbraw/zinc/75/40/76/1095754076.db2.gz DGQNDCOVLBYKRE-UHFFFAOYSA-N -1 0 309.709 3.028 20 5 DGBDRM Cc1cccc(C(C)(C)NC(=O)c2cccc([N+](=O)[O-])c2[O-])c1 ZINC001147210371 1096182084 /nfs/dbraw/zinc/18/20/84/1096182084.db2.gz FDLRJGBFCBZXFF-UHFFFAOYSA-N -1 0 314.341 3.274 20 5 DGBDRM CCC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC001147359253 1096208128 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DGBDRM O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1cccc(Cl)c1[O-] ZINC000179720455 312814129 /nfs/dbraw/zinc/81/41/29/312814129.db2.gz RQUCHWYGOHNAFB-UHFFFAOYSA-N -1 0 306.705 3.135 20 5 DGBDRM Cn1ccc2c1cccc2NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000541879796 314045882 /nfs/dbraw/zinc/04/58/82/314045882.db2.gz GRRGAGXEQOBVGE-UHFFFAOYSA-N -1 0 311.297 3.044 20 5 DGBDRM C[C@@H]1CCCC[C@H]1OCCNc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000549525677 314510220 /nfs/dbraw/zinc/51/02/20/314510220.db2.gz NYVVCMARDKMJDW-IAQYHMDHSA-N -1 0 322.361 3.300 20 5 DGBDRM Cc1cc(NC[C@@H](C)c2nccs2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000563208065 315090314 /nfs/dbraw/zinc/09/03/14/315090314.db2.gz ZOXRVSWRTFPZEC-SECBINFHSA-N -1 0 321.358 3.274 20 5 DGBDRM Cc1cc(NC[C@@H]2CCOC(C)(C)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000565036251 315224218 /nfs/dbraw/zinc/22/42/18/315224218.db2.gz SVCUJOWLXDVNLM-LLVKDONJSA-N -1 0 322.361 3.219 20 5 DGBDRM COCCC1(CNc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)CCCC1 ZINC000566290680 315331740 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DGBDRM CC[C@]1(C)CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000575061550 316029000 /nfs/dbraw/zinc/02/90/00/316029000.db2.gz ILFXWSWKINTUTH-CQSZACIVSA-N -1 0 312.753 3.216 20 5 DGBDRM Cc1cc(CNc2cc(C)c([N+](=O)[O-])c(C(=O)[O-])c2)cc(C)n1 ZINC000575185169 316041452 /nfs/dbraw/zinc/04/14/52/316041452.db2.gz PIEQRWNXYOJKKL-UHFFFAOYSA-N -1 0 315.329 3.225 20 5 DGBDRM Cc1csc([C@@H](C)CNc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)n1 ZINC000579963812 323941086 /nfs/dbraw/zinc/94/10/86/323941086.db2.gz DCIHCEHHDDXBPA-QMMMGPOBSA-N -1 0 321.358 3.274 20 5 DGBDRM O=C([O-])c1cc(N[C@@H]2CCCC(F)(F)C2)ccc1[N+](=O)[O-] ZINC000580776449 324038320 /nfs/dbraw/zinc/03/83/20/324038320.db2.gz TXXQVOQELYTVKX-SECBINFHSA-N -1 0 300.261 3.283 20 5 DGBDRM CCc1nc(CNc2cc(C)c([N+](=O)[O-])cc2C(=O)[O-])cs1 ZINC000582065176 324184826 /nfs/dbraw/zinc/18/48/26/324184826.db2.gz CMVWOPHFGAYYEY-UHFFFAOYSA-N -1 0 321.358 3.232 20 5 DGBDRM CC(C)c1cnc(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)s1 ZINC000164781059 528225716 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O=C([O-])c1cc(N2CCC[C@@H]2c2ccncc2)ccc1[N+](=O)[O-] ZINC000910339462 620287861 /nfs/dbraw/zinc/28/78/61/620287861.db2.gz DRCPIBNOHPJCML-CQSZACIVSA-N -1 0 313.313 3.030 20 5 DGBDRM C[C@H](Nc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-])c1ccccn1 ZINC000920960067 620830059 /nfs/dbraw/zinc/83/00/59/620830059.db2.gz CHVOUJGIXWHBIN-JYKYSHPRSA-N -1 0 313.313 3.261 20 5 DGBDRM O=C([O-])/C=C\c1ccc(NCc2cccs2)c([N+](=O)[O-])c1 ZINC000920964317 620830126 /nfs/dbraw/zinc/83/01/26/620830126.db2.gz SVSQYJKLRYNRPG-XQRVVYSFSA-N -1 0 304.327 3.366 20 5 DGBDRM Cc1cc(/C=C\c2ncc([N+](=O)[O-])cc2C(=O)[O-])cnc1Cl ZINC000760261473 621926077 /nfs/dbraw/zinc/92/60/77/621926077.db2.gz CZNOPEOEDYLRBQ-IHWYPQMZSA-N -1 0 319.704 3.215 20 5 DGBDRM CC[C@@H]1CCCC[C@H]1OCCOC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000770938879 622691052 /nfs/dbraw/zinc/69/10/52/622691052.db2.gz XJADCPLTNDJVFW-DGCLKSJQSA-N -1 0 310.350 3.065 20 5 DGBDRM COc1cc(Cl)ccc1NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000775359094 623259555 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