smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(C[C@H](O)C[NH+]1CCOCC1)c1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC001118222237 847330136 /nfs/dbraw/zinc/33/01/36/847330136.db2.gz UBCDBHARLQPBHO-ZDUSSCGKSA-N 0 2 353.375 0.351 20 5 FCBDLN O=[N+]([O-])c1c(O)cc(O)cc1OC[C@@H]1COCCOCCOCCO1 ZINC001228973180 857241640 /nfs/dbraw/zinc/24/16/40/857241640.db2.gz HMOMWLCBUZDBJX-LBPRGKRZSA-N 0 2 359.331 0.833 20 5 FCBDLN O=[N+]([O-])/C=C/c1ccc(O[C@@H](C[NH+]2CCOCC2)CS(=O)(=O)[O-])cc1 ZINC001229120091 857251980 /nfs/dbraw/zinc/25/19/80/857251980.db2.gz VQVAHCYHXRYDHU-NFAHFFEMSA-N 0 2 372.399 0.901 20 5 FCBDLN CNC(=O)N[C@H]1CC[N@H+](Cc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)C1 ZINC001598653331 994480093 /nfs/dbraw/zinc/48/00/93/994480093.db2.gz PFACNIODZCTIKW-NSHDSACASA-N 0 2 352.347 0.562 20 5 FCBDLN CNC(=O)N[C@H]1CC[N@@H+](Cc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)C1 ZINC001598653331 994480097 /nfs/dbraw/zinc/48/00/97/994480097.db2.gz PFACNIODZCTIKW-NSHDSACASA-N 0 2 352.347 0.562 20 5 FCBDLN C[C@@]1(F)C[NH2+]CCN(S(=O)(=O)c2ccc(C(=O)[O-])c([N+](=O)[O-])c2)C1 ZINC001594046734 997707162 /nfs/dbraw/zinc/70/71/62/997707162.db2.gz DAXFQUKGFPLJKV-CYBMUJFWSA-N 0 2 361.351 0.615 20 5 FCBDLN Cc1nc(NS(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)nn1C ZINC000292472981 214103580 /nfs/dbraw/zinc/10/35/80/214103580.db2.gz MXINIFPSMAIEDT-UHFFFAOYSA-N 0 2 355.332 0.604 20 5 FCBDLN CN(C)c1cc(F)c(C(=O)NC[C@H]2CN3CCN2CC3)cc1[N+](=O)[O-] ZINC000295457570 214299202 /nfs/dbraw/zinc/29/92/02/214299202.db2.gz OBYRXZSPTLDHDY-NSHDSACASA-N 0 2 351.382 0.530 20 5 FCBDLN O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)NCCCN1CCNC(=O)C1 ZINC000295473698 214299763 /nfs/dbraw/zinc/29/97/63/214299763.db2.gz PDXHVNOLVZJJTM-UHFFFAOYSA-N 0 2 362.386 0.496 20 5 FCBDLN Cn1ccc(N2CCC[C@@H](NC(=O)c3ccc([N+](=O)[O-])cc3O)C2=O)n1 ZINC000274691425 211891901 /nfs/dbraw/zinc/89/19/01/211891901.db2.gz MQPQEDSINFIPDK-GFCCVEGCSA-N 0 2 359.342 0.959 20 5 FCBDLN CC(=O)N1CCN(C(=O)CCNC(=O)c2cc([N+](=O)[O-])ccc2O)CC1 ZINC000436669463 248046632 /nfs/dbraw/zinc/04/66/32/248046632.db2.gz LUKGEUVBYWMMAO-UHFFFAOYSA-N 0 2 364.358 0.111 20 5 FCBDLN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ncn(CC(=O)OC)n1 ZINC000437302585 248062567 /nfs/dbraw/zinc/06/25/67/248062567.db2.gz HWSVQJJSXJIIRH-UHFFFAOYSA-N 0 2 369.359 0.723 20 5 FCBDLN CNC(=O)Cn1cnc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)n1 ZINC000266363928 210328248 /nfs/dbraw/zinc/32/82/48/210328248.db2.gz SSSQGXVSJSYPGC-UHFFFAOYSA-N 0 2 354.348 0.042 20 5 FCBDLN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ncn(CC(=O)N(C)C)n1 ZINC000266372929 210328099 /nfs/dbraw/zinc/32/80/99/210328099.db2.gz VUAFAQUVFZREIA-UHFFFAOYSA-N 0 2 368.375 0.384 20 5 FCBDLN Cn1cc([C@H]2C[S@@](=O)CCN2C(=O)c2ccc([N+](=O)[O-])cc2O)cn1 ZINC000278717891 488891857 /nfs/dbraw/zinc/89/18/57/488891857.db2.gz UFWIMSUAAJMNNC-SHZVTRLKSA-N 0 2 364.383 0.980 20 5 FCBDLN COCCNC(=O)Cn1cc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)cn1 ZINC000273480434 488653772 /nfs/dbraw/zinc/65/37/72/488653772.db2.gz ZMIZEFNBJQTIAA-UHFFFAOYSA-N 0 2 363.330 0.512 20 5 FCBDLN O=c1nc([C@H]2CCCN(S(=O)(=O)c3cccc(F)c3[N+](=O)[O-])C2)[nH][nH]1 ZINC000288889778 489025988 /nfs/dbraw/zinc/02/59/88/489025988.db2.gz IIQWNGSFYUCCLH-QMMMGPOBSA-N 0 2 371.350 0.714 20 5 FCBDLN O=c1nc([C@H]2CCCN(S(=O)(=O)c3c(F)cccc3[N+](=O)[O-])C2)[nH][nH]1 ZINC000288964981 489032749 /nfs/dbraw/zinc/03/27/49/489032749.db2.gz QFGQPJBSUPUMOO-QMMMGPOBSA-N 0 2 371.350 0.714 20 5 FCBDLN O=C(N[C@@H]1CCCN(S(=O)(=O)C2CC2)C1)c1cc([N+](=O)[O-])ccc1O ZINC000286727346 489422102 /nfs/dbraw/zinc/42/21/02/489422102.db2.gz RHHSDTDVKLQMLA-SNVBAGLBSA-N 0 2 369.399 0.987 20 5 FCBDLN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccn(CC(=O)N(C)C)n1 ZINC000299646221 489467287 /nfs/dbraw/zinc/46/72/87/489467287.db2.gz WJDMNLAOJCGKCO-UHFFFAOYSA-N 0 2 367.387 0.989 20 5 FCBDLN O=C([O-])c1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2CCn3cc[nH+]c3C2)c1 ZINC000414328503 489495965 /nfs/dbraw/zinc/49/59/65/489495965.db2.gz AOXHVWUFVHAVRH-JTQLQIEISA-N 0 2 366.355 0.783 20 5 FCBDLN COC(=O)CNC(=O)[C@H]1CCCN1C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000416322070 489583413 /nfs/dbraw/zinc/58/34/13/489583413.db2.gz MEXQGJTYRSVYHT-LLVKDONJSA-N 0 2 351.315 0.194 20 5 FCBDLN CO[C@@H]1COC[C@H]1n1cc(CNC(=O)c2cccc(O)c2[N+](=O)[O-])nn1 ZINC000427217855 489598474 /nfs/dbraw/zinc/59/84/74/489598474.db2.gz KMEPBMCTNRNRLL-DGCLKSJQSA-N 0 2 363.330 0.408 20 5 FCBDLN O=C(NCC1([NH+]2CCOCC2)CCOCC1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000457980561 489665124 /nfs/dbraw/zinc/66/51/24/489665124.db2.gz MXFWHEBPVNYMDT-UHFFFAOYSA-N 0 2 365.386 0.912 20 5 FCBDLN CNS(=O)(=O)c1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)cn1 ZINC000474373215 489757698 /nfs/dbraw/zinc/75/76/98/489757698.db2.gz NQDJQUDLQAFFGX-UHFFFAOYSA-N 0 2 352.328 0.856 20 5 FCBDLN Cn1cc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)c(=O)[nH]c1=O ZINC000490363211 489763289 /nfs/dbraw/zinc/76/32/89/489763289.db2.gz IBPYVCPTIAAHSI-UHFFFAOYSA-N 0 2 357.286 0.432 20 5 FCBDLN Cc1cc(C)c(S(=O)(=O)Nc2cnn(CC(N)=O)c2)cc1[N+](=O)[O-] ZINC000491590438 489808253 /nfs/dbraw/zinc/80/82/53/489808253.db2.gz AASCWBDXOAGGLD-UHFFFAOYSA-N 0 2 353.360 0.694 20 5 FCBDLN Cn1c2ccc(S(=O)(=O)Nc3ccncc3[N+](=O)[O-])cc2n(C)c1=O ZINC000461116458 489896837 /nfs/dbraw/zinc/89/68/37/489896837.db2.gz XNURYWJWGZWMQG-UHFFFAOYSA-N 0 2 363.355 0.403 20 5 FCBDLN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000436822615 490014149 /nfs/dbraw/zinc/01/41/49/490014149.db2.gz PVQXFNUHKUDXSR-RKDXNWHRSA-N 0 2 353.331 0.487 20 5 FCBDLN COC(=O)CCN1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2O)C1=O ZINC000436895610 490014684 /nfs/dbraw/zinc/01/46/84/490014684.db2.gz XWQDJTHYARVAPG-LLVKDONJSA-N 0 2 351.315 0.194 20 5 FCBDLN CS(=O)(=O)N[C@@H]1CCCC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436941005 490017080 /nfs/dbraw/zinc/01/70/80/490017080.db2.gz ZGAMFNKELNIQIO-NWDGAFQWSA-N 0 2 357.388 0.891 20 5 FCBDLN CS(=O)(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436941007 490017231 /nfs/dbraw/zinc/01/72/31/490017231.db2.gz ZGAMFNKELNIQIO-VXGBXAGGSA-N 0 2 357.388 0.891 20 5 FCBDLN COc1cc(C(=O)NCc2n[nH]c(=O)[nH]2)c([N+](=O)[O-])cc1OC(F)F ZINC000480503758 490204956 /nfs/dbraw/zinc/20/49/56/490204956.db2.gz DCLYOYPXLFGOIR-UHFFFAOYSA-N 0 2 359.245 0.959 20 5 FCBDLN CCn1cc(S(=O)(=O)N2CCC[C@@H](c3n[nH]c(=O)[nH]3)C2)c([N+](=O)[O-])n1 ZINC000549848719 490610655 /nfs/dbraw/zinc/61/06/55/490610655.db2.gz UDEJZVDWWHVIMG-MRVPVSSYSA-N 0 2 371.379 0.203 20 5 FCBDLN COC(=O)CCN1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)C1=O ZINC000501827148 490644289 /nfs/dbraw/zinc/64/42/89/490644289.db2.gz ZFMDSHSYKAPJLD-SNVBAGLBSA-N 0 2 351.315 0.194 20 5 FCBDLN NS(=O)(=O)c1ccc(CNC(=O)c2cc(O)ccc2[N+](=O)[O-])s1 ZINC000503685080 490770690 /nfs/dbraw/zinc/77/06/90/490770690.db2.gz QYHNQNAONDQGBM-UHFFFAOYSA-N 0 2 357.369 0.939 20 5 FCBDLN CNC(=O)Cn1nc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)cc1C ZINC000504247666 490793273 /nfs/dbraw/zinc/79/32/73/490793273.db2.gz VHVNAYITHDQCBP-UHFFFAOYSA-N 0 2 367.387 0.955 20 5 FCBDLN CC(C)(C)c1ccc(NC(=O)C(=O)NCc2n[nH]c(=O)[nH]2)cc1[N+](=O)[O-] ZINC000585759829 491725542 /nfs/dbraw/zinc/72/55/42/491725542.db2.gz LEHBVUPGOFQBOX-UHFFFAOYSA-N 0 2 362.346 0.971 20 5 FCBDLN COc1ccc(C(=O)NCC(=O)N(C)CC2N=NC(=O)O2)cc1[N+](=O)[O-] ZINC000598746308 492116732 /nfs/dbraw/zinc/11/67/32/492116732.db2.gz RLKZXCVWCQZHOD-UHFFFAOYSA-N 0 2 365.302 0.080 20 5 FCBDLN Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CC[C@](O)(C(F)(F)F)C2)n1 ZINC000599311040 492158679 /nfs/dbraw/zinc/15/86/79/492158679.db2.gz BFXVLTLEXXKRLC-HZGVNTEJSA-N 0 2 358.298 0.453 20 5 FCBDLN C[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2O)C(=O)N1c1cnn(C)c1 ZINC000611535412 492289847 /nfs/dbraw/zinc/28/98/47/492289847.db2.gz NRZZZADNUYWEAB-TVQRCGJNSA-N 0 2 359.342 0.958 20 5 FCBDLN COC(=O)Cn1cnc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)n1 ZINC000437326963 536386285 /nfs/dbraw/zinc/38/62/85/536386285.db2.gz SJZLDMYOZLITLN-UHFFFAOYSA-N 0 2 371.331 0.169 20 5 FCBDLN O=C(NCCNS(=O)(=O)c1cccnc1)c1cc(O)ccc1[N+](=O)[O-] ZINC000552115178 547324955 /nfs/dbraw/zinc/32/49/55/547324955.db2.gz QPGYEWLQVFYEDZ-UHFFFAOYSA-N 0 2 366.355 0.404 20 5 FCBDLN Cc1nn(CC(=O)Nc2ccccc2[N+](=O)[O-])c(=O)c(-c2nn[nH]n2)c1C ZINC000737512969 598473382 /nfs/dbraw/zinc/47/33/82/598473382.db2.gz DFCQTPPEUPRZOR-UHFFFAOYSA-N 0 2 370.329 0.587 20 5 FCBDLN C[C@H](CC(=O)[O-])[NH+]1CCN(S(=O)(=O)c2cccnc2[N+](=O)[O-])CC1 ZINC000827386958 601258033 /nfs/dbraw/zinc/25/80/33/601258033.db2.gz ZUGFOJYGUPKFBE-SNVBAGLBSA-N 0 2 358.376 0.159 20 5 FCBDLN Cc1nn(C[C@@H](O)c2cccc([N+](=O)[O-])c2)c(=O)c(-c2nn[nH]n2)c1C ZINC000826334137 607531150 /nfs/dbraw/zinc/53/11/50/607531150.db2.gz JJVFDDSQHLBODL-GFCCVEGCSA-N 0 2 357.330 0.682 20 5 FCBDLN Cc1nn(C[C@H](O)c2cccc([N+](=O)[O-])c2)c(=O)c(-c2nn[nH]n2)c1C ZINC000826334138 607531210 /nfs/dbraw/zinc/53/12/10/607531210.db2.gz JJVFDDSQHLBODL-LBPRGKRZSA-N 0 2 357.330 0.682 20 5 FCBDLN O=C(C[NH2+][C@]1(C(=O)[O-])CCOC1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000833764243 604491540 /nfs/dbraw/zinc/49/15/40/604491540.db2.gz CGKWNXDZHDAMLR-CQSZACIVSA-N 0 2 353.287 0.095 20 5 FCBDLN O=C([N-]S(=O)(=O)[C@H]1CCOC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000733720225 666930213 /nfs/dbraw/zinc/93/02/13/666930213.db2.gz RXCZELDCDZYNGG-NSHDSACASA-N 0 2 366.355 0.629 20 5 FCBDLN CS(=O)(=O)c1cc(C(=O)NCCc2n[nH]c(=S)o2)cc([N+](=O)[O-])c1 ZINC000773098356 668072118 /nfs/dbraw/zinc/07/21/18/668072118.db2.gz WBYZUZVQSJLXJJ-UHFFFAOYSA-N 0 2 372.384 0.643 20 5 FCBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)C1=CC=CN2CCS(=O)(=O)N=C12 ZINC000770855575 668224745 /nfs/dbraw/zinc/22/47/45/668224745.db2.gz GBHNZKKKDNHSAS-UHFFFAOYSA-N 0 2 364.339 0.737 20 5 FCBDLN CC(C)[C@@H](CO)ONC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000836904028 670067522 /nfs/dbraw/zinc/06/75/22/670067522.db2.gz BOGZXTBDJCBQOF-LLVKDONJSA-N 0 2 357.388 0.851 20 5 FCBDLN CC(C)c1nc(CN2CCC(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n[nH]1 ZINC001001400511 676070819 /nfs/dbraw/zinc/07/08/19/676070819.db2.gz SSQPYZGNINPAAJ-CHWSQXEVSA-N 0 2 350.423 0.922 20 5 FCBDLN CN(CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)C(=O)C1=NC(=O)N(C)C1 ZINC000988531532 1192263052 /nfs/dbraw/zinc/26/30/52/1192263052.db2.gz JWYSWEXYDVHHKW-DGCLKSJQSA-N 0 2 365.390 0.102 20 5 FCBDLN Cc1nc2c(cccc2C(=O)N(C)C2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)[nH]1 ZINC000955304901 1213138454 /nfs/dbraw/zinc/13/84/54/1213138454.db2.gz ZASYMKGLDFNMPW-TZMCWYRMSA-N 0 2 357.370 0.819 20 5 FCBDLN CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CN(C(=O)c2ccc3[nH]nnc3c2)C1 ZINC000967951571 1215266744 /nfs/dbraw/zinc/26/67/44/1215266744.db2.gz IEOUNRUIXOXQBZ-BXUZGUMPSA-N 0 2 358.358 0.296 20 5 FCBDLN O=C(NCc1cnn2c1C[N@H+](CC1CCOCC1)CC2)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001069860690 1216806310 /nfs/dbraw/zinc/80/63/10/1216806310.db2.gz FBFXEOAANRDYRR-HUUCEWRRSA-N 0 2 363.418 0.407 20 5 FCBDLN Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2CC[C@H](c3c[nH]nn3)CC2)n1 ZINC001577659008 1274673388 /nfs/dbraw/zinc/67/33/88/1274673388.db2.gz WYUQBTMPTLPYPH-KYZUINATSA-N 0 2 355.380 0.451 20 5 FCBDLN C[C@@H](CNc1[nH]c(=O)n(C)c(=O)c1-c1nn[nH]n1)c1ccccc1[N+](=O)[O-] ZINC001589876511 1283105698 /nfs/dbraw/zinc/10/56/98/1283105698.db2.gz YGCXYFAOKJRBEV-QMMMGPOBSA-N 0 2 372.345 0.790 20 5 FCBDLN CCn1cc(-c2nn[nH]n2)c(=O)n(Cc2cc([N+](=O)[O-])ccc2OC)c1=O ZINC001609258155 1289023211 /nfs/dbraw/zinc/02/32/11/1289023211.db2.gz SITXNRAWUKNFSB-UHFFFAOYSA-N 0 2 373.329 0.175 20 5 FCBDLN O=C([O-])C[C@H]1C(=O)NCC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001601939227 1286877953 /nfs/dbraw/zinc/87/79/53/1286877953.db2.gz KHESKTLKLGBAJU-LBPRGKRZSA-N 0 2 350.331 0.199 20 5 FCBDLN O=C([O-])C[C@H]1C(=O)NCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001601939227 1286877963 /nfs/dbraw/zinc/87/79/63/1286877963.db2.gz KHESKTLKLGBAJU-LBPRGKRZSA-N 0 2 350.331 0.199 20 5 FCBDLN CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001605494846 1287981535 /nfs/dbraw/zinc/98/15/35/1287981535.db2.gz IVVWFULHFGICQL-BJOHPYRUSA-N 0 2 352.347 0.718 20 5 FCBDLN O=C([O-])[C@H]1C[C@H](O)C[N@@H+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC001610661696 1289544988 /nfs/dbraw/zinc/54/49/88/1289544988.db2.gz IJJDNLMPGGJCQO-WPRPVWTQSA-N 0 2 357.750 0.954 20 5 FCBDLN O=C([O-])[C@H]1C[C@H](O)C[N@H+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC001610661696 1289544996 /nfs/dbraw/zinc/54/49/96/1289544996.db2.gz IJJDNLMPGGJCQO-WPRPVWTQSA-N 0 2 357.750 0.954 20 5 FCBDLN CC(C)Cc1ncc(C(=O)N(C)CCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])[nH]1 ZINC001689079056 1294599317 /nfs/dbraw/zinc/59/93/17/1294599317.db2.gz IOHWYSMSOUZGII-DGCLKSJQSA-N 0 2 351.407 0.804 20 5 FCBDLN Cc1c(C(=O)NCCCc2n[nH]c(=O)[nH]2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000748383533 836300189 /nfs/dbraw/zinc/30/01/89/836300189.db2.gz VTIYZLAZKMGYTR-UHFFFAOYSA-N 0 2 350.291 0.998 20 5 FCBDLN CSc1nc(Cl)nc(Nc2c(O)[nH]c(=O)[nH]c2=S)c1[N+](=O)[O-] ZINC001160848079 850203420 /nfs/dbraw/zinc/20/34/20/850203420.db2.gz HIMBUDMPGKFMAQ-UWTATZPHSA-N 0 2 362.780 0.707 20 5 FCBDLN O=[N+]([O-])c1c(O)cc(O)cc1O[C@H](C[n+]1ccccc1)CS(=O)(=O)[O-] ZINC001228975232 857241416 /nfs/dbraw/zinc/24/14/16/857241416.db2.gz YRGRBHVYJOJRHH-LLVKDONJSA-O 0 2 371.347 0.629 20 5 FCBDLN C[C@@H]1C[N@H+](CCC(=O)[O-])CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC001594525037 986032010 /nfs/dbraw/zinc/03/20/10/986032010.db2.gz HKCLZQNTNHUCEN-LLVKDONJSA-N 0 2 357.388 0.764 20 5 FCBDLN C[C@@H]1C[N@@H+](CCC(=O)[O-])CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC001594525037 986032020 /nfs/dbraw/zinc/03/20/20/986032020.db2.gz HKCLZQNTNHUCEN-LLVKDONJSA-N 0 2 357.388 0.764 20 5 FCBDLN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1C[C@H](C(=O)[O-])C[C@H](O)C1 ZINC001599622520 994103775 /nfs/dbraw/zinc/10/37/75/994103775.db2.gz QYWIZMPEUSAKAU-UMNHJUIQSA-N 0 2 367.358 0.698 20 5 FCBDLN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1C[C@H](C(=O)[O-])C[C@H](O)C1 ZINC001599622520 994103777 /nfs/dbraw/zinc/10/37/77/994103777.db2.gz QYWIZMPEUSAKAU-UMNHJUIQSA-N 0 2 367.358 0.698 20 5 FCBDLN COCCOCC[NH+]1CCN(c2ncc(C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC001599251224 998234792 /nfs/dbraw/zinc/23/47/92/998234792.db2.gz COLQFOUZSQYEAY-UHFFFAOYSA-N 0 2 354.363 0.473 20 5 FCBDLN NC(=O)CNC(=O)c1cccc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)c1 ZINC000436946069 248055245 /nfs/dbraw/zinc/05/52/45/248055245.db2.gz CHHGWWRJCSZKQH-UHFFFAOYSA-N 0 2 358.310 0.768 20 5 FCBDLN O=C(NCCCO)C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000437000368 248057305 /nfs/dbraw/zinc/05/73/05/248057305.db2.gz NHJGXEBCCUFXCN-UHFFFAOYSA-N 0 2 351.359 0.651 20 5 FCBDLN CC(C)NC(=O)C(=O)N1CCN(C(=O)c2cc([N+](=O)[O-])ccc2O)CC1 ZINC000271279115 211370894 /nfs/dbraw/zinc/37/08/94/211370894.db2.gz NPRLVRLGLOCTEY-UHFFFAOYSA-N 0 2 364.358 0.109 20 5 FCBDLN COCCCN(C(=O)c1ccc([N+](=O)[O-])c(O)c1)[C@H]1CCS(=O)(=O)C1 ZINC000270680051 211246372 /nfs/dbraw/zinc/24/63/72/211246372.db2.gz SLVBFVJVHMAWCZ-LBPRGKRZSA-N 0 2 372.399 0.966 20 5 FCBDLN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ncn(CC(=O)N(C)C)n1 ZINC000266307707 210319139 /nfs/dbraw/zinc/31/91/39/210319139.db2.gz DHQNKZURFRJHFY-UHFFFAOYSA-N 0 2 368.375 0.384 20 5 FCBDLN COC(=O)Cn1cc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)cn1 ZINC000054040717 488215950 /nfs/dbraw/zinc/21/59/50/488215950.db2.gz FPNDKWJIPYVOTJ-UHFFFAOYSA-N 0 2 370.343 0.774 20 5 FCBDLN COc1ccc(S(=O)(=O)N2CC[NH+]([C@H](C)C(=O)[O-])CC2)cc1[N+](=O)[O-] ZINC000261626384 488527849 /nfs/dbraw/zinc/52/78/49/488527849.db2.gz GTSFWQGYVJYNNQ-SNVBAGLBSA-N 0 2 373.387 0.383 20 5 FCBDLN COC(=O)C1(NC(=O)c2cc([N+](=O)[O-])ccc2O)CCS(=O)(=O)CC1 ZINC000272372129 488576096 /nfs/dbraw/zinc/57/60/96/488576096.db2.gz HJTGUHVNBCVWLK-UHFFFAOYSA-N 0 2 372.355 0.151 20 5 FCBDLN CS(=O)(=O)N[C@@H]1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000272397995 488578130 /nfs/dbraw/zinc/57/81/30/488578130.db2.gz MISGIANJVFNEJT-JOYOIKCWSA-N 0 2 357.388 0.748 20 5 FCBDLN Cn1ccc(N2CCC[C@@H](NC(=O)c3cc([N+](=O)[O-])ccc3O)C2=O)n1 ZINC000272470373 488582968 /nfs/dbraw/zinc/58/29/68/488582968.db2.gz ZETIKUATCVSCRH-GFCCVEGCSA-N 0 2 359.342 0.959 20 5 FCBDLN CC(=O)N1CCN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000273298874 488642568 /nfs/dbraw/zinc/64/25/68/488642568.db2.gz ZJNAUOGSGMINAI-UHFFFAOYSA-N 0 2 364.358 0.111 20 5 FCBDLN COC(=O)CCCONC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000290644089 489154958 /nfs/dbraw/zinc/15/49/58/489154958.db2.gz MYUWTQXHAAFEFF-UHFFFAOYSA-N 0 2 373.749 0.979 20 5 FCBDLN Cn1cc([C@@H]2C[S@](=O)CCN2C(=O)c2cc([N+](=O)[O-])ccc2O)cn1 ZINC000282446448 489165054 /nfs/dbraw/zinc/16/50/54/489165054.db2.gz SMFMOOUCJZEREK-ZJWNCGCPSA-N 0 2 364.383 0.980 20 5 FCBDLN CC[C@@]1(C)NC(=O)N(NC(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)C1=O ZINC000298218867 489305551 /nfs/dbraw/zinc/30/55/51/489305551.db2.gz PSXKNTDYVALYJO-OAHLLOKOSA-N 0 2 364.314 0.747 20 5 FCBDLN CCn1cc([N+](=O)[O-])c(C(=O)Nc2nnc(CCCC(=O)OC)s2)n1 ZINC000427359651 489604232 /nfs/dbraw/zinc/60/42/32/489604232.db2.gz OUQOQDPPZIJZRS-UHFFFAOYSA-N 0 2 368.375 1.411 20 5 FCBDLN O=C(NCCNS(=O)(=O)Cc1ccon1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000427977715 489631538 /nfs/dbraw/zinc/63/15/38/489631538.db2.gz VDMKGCHLBAMXTH-UHFFFAOYSA-N 0 2 370.343 0.138 20 5 FCBDLN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)[C@@H]1CC[C@H](C(=O)N2CCOCC2)O1 ZINC000376962564 489825209 /nfs/dbraw/zinc/82/52/09/489825209.db2.gz VQINCIXKXQHIRD-UONOGXRCSA-N 0 2 365.342 0.645 20 5 FCBDLN O=C(CSc1n[nH]c(=O)[nH]1)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000461410342 489909182 /nfs/dbraw/zinc/90/91/82/489909182.db2.gz SZJQTPAVBGFTCR-UHFFFAOYSA-N 0 2 351.344 0.932 20 5 FCBDLN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000436822609 490013705 /nfs/dbraw/zinc/01/37/05/490013705.db2.gz PVQXFNUHKUDXSR-BDAKNGLRSA-N 0 2 353.331 0.487 20 5 FCBDLN COC(=O)Cn1cnc(NS(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])n1 ZINC000479604762 490106944 /nfs/dbraw/zinc/10/69/44/490106944.db2.gz WIVUFDUCTMNWEO-UHFFFAOYSA-N 0 2 369.359 0.777 20 5 FCBDLN NS(=O)(=O)c1ccc(CCNC(=O)c2cc(O)ccc2[N+](=O)[O-])cc1 ZINC000393005409 490156721 /nfs/dbraw/zinc/15/67/21/490156721.db2.gz QEPXCSAWXYHBQH-UHFFFAOYSA-N 0 2 365.367 0.920 20 5 FCBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(C(N)=O)nc1 ZINC000501254390 490591403 /nfs/dbraw/zinc/59/14/03/490591403.db2.gz QXHQIJIKSNZWPU-UHFFFAOYSA-N 0 2 352.328 0.898 20 5 FCBDLN CNC(=O)Cn1cc(NS(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])cn1 ZINC000515633165 490833679 /nfs/dbraw/zinc/83/36/79/490833679.db2.gz CVJIGKMBLJECRR-UHFFFAOYSA-N 0 2 369.359 0.347 20 5 FCBDLN CCn1cc(S(=O)(=O)Nc2ccnc(OCCO)c2)c([N+](=O)[O-])n1 ZINC000596050700 491973845 /nfs/dbraw/zinc/97/38/45/491973845.db2.gz JQVWYZFTWPYFOY-UHFFFAOYSA-N 0 2 357.348 0.378 20 5 FCBDLN O=C([O-])c1ccc(S(=O)(=O)NCC[N@H+]2CC=CCC2)c([N+](=O)[O-])c1 ZINC000577378131 491616739 /nfs/dbraw/zinc/61/67/39/491616739.db2.gz LHYVPQPZRPISSR-UHFFFAOYSA-N 0 2 355.372 0.833 20 5 FCBDLN O=C([O-])c1ccc(S(=O)(=O)NCC[N@@H+]2CC=CCC2)c([N+](=O)[O-])c1 ZINC000577378131 491616741 /nfs/dbraw/zinc/61/67/41/491616741.db2.gz LHYVPQPZRPISSR-UHFFFAOYSA-N 0 2 355.372 0.833 20 5 FCBDLN Cc1ncc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2NCCO)n1C ZINC000600635288 491871033 /nfs/dbraw/zinc/87/10/33/491871033.db2.gz BQPXBUJDQSHDHT-UHFFFAOYSA-N 0 2 355.376 0.842 20 5 FCBDLN CC(C)C[N@@H+]1CCO[C@H](CNS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000604467930 492061884 /nfs/dbraw/zinc/06/18/84/492061884.db2.gz AATAGNBRMIFFQU-GFCCVEGCSA-N 0 2 373.431 0.936 20 5 FCBDLN CC(C)C[N@H+]1CCO[C@H](CNS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000604467930 492061886 /nfs/dbraw/zinc/06/18/86/492061886.db2.gz AATAGNBRMIFFQU-GFCCVEGCSA-N 0 2 373.431 0.936 20 5 FCBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1nc2ncccn2n1 ZINC000609227587 492200742 /nfs/dbraw/zinc/20/07/42/492200742.db2.gz KBGHVHJVUQIXJP-UHFFFAOYSA-N 0 2 350.316 0.842 20 5 FCBDLN C[C@@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)C(=O)N1c1cnn(C)c1 ZINC000610365214 492242993 /nfs/dbraw/zinc/24/29/93/492242993.db2.gz HONRMFXVXPUVLF-BXKDBHETSA-N 0 2 359.342 0.958 20 5 FCBDLN C[C@@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)C(=O)N1c1cnn(C)c1 ZINC000610365217 492243107 /nfs/dbraw/zinc/24/31/07/492243107.db2.gz HONRMFXVXPUVLF-SKDRFNHKSA-N 0 2 359.342 0.958 20 5 FCBDLN COC(=O)[C@H]1CC[C@@H](C(=O)OC)N(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000600319348 492259793 /nfs/dbraw/zinc/25/97/93/492259793.db2.gz HXOWJDCQAHZDQP-JQWIXIFHSA-N 0 2 366.326 0.867 20 5 FCBDLN C[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2O)C(=O)N1c1cnn(C)c1 ZINC000611535411 492289953 /nfs/dbraw/zinc/28/99/53/492289953.db2.gz NRZZZADNUYWEAB-RNCFNFMXSA-N 0 2 359.342 0.958 20 5 FCBDLN CCNS(=O)(=O)[C@@H]1CC[N@H+](Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC000593744745 546990168 /nfs/dbraw/zinc/99/01/68/546990168.db2.gz VCIKOIBFMGTJRW-GFCCVEGCSA-N 0 2 357.388 0.807 20 5 FCBDLN CCNS(=O)(=O)[C@@H]1CC[N@@H+](Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC000593744745 546990173 /nfs/dbraw/zinc/99/01/73/546990173.db2.gz VCIKOIBFMGTJRW-GFCCVEGCSA-N 0 2 357.388 0.807 20 5 FCBDLN Cn1cc[nH+]c1[C@@H]([N-]S(=O)(=O)c1ncccc1[N+](=O)[O-])C(C)(C)CO ZINC000594779931 547009828 /nfs/dbraw/zinc/00/98/28/547009828.db2.gz YCTJQWIVXVDCPF-LLVKDONJSA-N 0 2 369.403 0.761 20 5 FCBDLN C[C@H]1C[N@H+](CCNc2ccc(C(=O)NCC(=O)[O-])cc2[N+](=O)[O-])CCO1 ZINC000736812076 599705893 /nfs/dbraw/zinc/70/58/93/599705893.db2.gz SHWSDRUGOODIEY-NSHDSACASA-N 0 2 366.374 0.542 20 5 FCBDLN C[C@H]1C[N@@H+](CCNc2ccc(C(=O)NCC(=O)[O-])cc2[N+](=O)[O-])CCO1 ZINC000736812076 599705895 /nfs/dbraw/zinc/70/58/95/599705895.db2.gz SHWSDRUGOODIEY-NSHDSACASA-N 0 2 366.374 0.542 20 5 FCBDLN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)C1=CN2CCS(=O)(=O)N=C2C=C1 ZINC000753703308 667562854 /nfs/dbraw/zinc/56/28/54/667562854.db2.gz RKRWJBGOBJBTPZ-UHFFFAOYSA-N 0 2 364.339 0.737 20 5 FCBDLN COC(=O)c1cc(NC(=O)CC2SC(=N)NC2=O)cc([N+](=O)[O-])c1 ZINC000742689743 668040830 /nfs/dbraw/zinc/04/08/30/668040830.db2.gz JOPAHOSCTGSYCU-SECBINFHSA-N 0 2 352.328 0.876 20 5 FCBDLN O=C(c1cc(C(F)(F)F)[nH]n1)N1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001011112359 675372777 /nfs/dbraw/zinc/37/27/77/675372777.db2.gz GRDARXYPWANSJX-VXNVDRBHSA-N 0 2 361.280 0.378 20 5 FCBDLN O=C(c1n[nH]cc1C(F)(F)F)N1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001011115690 675373953 /nfs/dbraw/zinc/37/39/53/675373953.db2.gz QTAMVGJSXNDQSF-VXNVDRBHSA-N 0 2 361.280 0.378 20 5 FCBDLN O=C(c1cc(C(F)F)[nH]n1)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000969003895 1212221482 /nfs/dbraw/zinc/22/14/82/1212221482.db2.gz WKLPVJZTBKDJKI-JXVAYASWSA-N 0 2 369.328 0.828 20 5 FCBDLN CN(C(=O)c1cc(-c2ccoc2)[nH]n1)C1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000954325366 1213056845 /nfs/dbraw/zinc/05/68/45/1213056845.db2.gz JCEIYOABTRATCZ-BXUZGUMPSA-N 0 2 359.342 0.618 20 5 FCBDLN O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@H]2CCC[C@@H](C1)N2Cc1n[nH]c(C2CC2)n1 ZINC001039583184 1214392497 /nfs/dbraw/zinc/39/24/97/1214392497.db2.gz GGLZTUXHOKGVDD-XJFOESAGSA-N 0 2 360.418 0.913 20 5 FCBDLN O=C(NC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCC1)c1n[nH]c2ccccc21 ZINC001062993091 1254291319 /nfs/dbraw/zinc/29/13/19/1254291319.db2.gz OQHKVNREBFLKDE-DGCLKSJQSA-N 0 2 357.370 0.997 20 5 FCBDLN CC(C)(C(=O)[O-])[NH+]1CCN(S(=O)(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC001603266538 1287344822 /nfs/dbraw/zinc/34/48/22/1287344822.db2.gz PKFYMFRDKTYXOO-UHFFFAOYSA-N 0 2 363.417 0.826 20 5 FCBDLN CCn1cc(-c2nn[nH]n2)c(=O)n(CCOc2ccc([N+](=O)[O-])cc2)c1=O ZINC001604601451 1287678239 /nfs/dbraw/zinc/67/82/39/1287678239.db2.gz WCJQJTRQPUJIOS-UHFFFAOYSA-N 0 2 373.329 0.197 20 5 FCBDLN C[C@@H](Nc1[nH]c(=O)n(C)c(=O)c1-c1nn[nH]n1)c1ccccc1[N+](=O)[O-] ZINC001591729921 1284862252 /nfs/dbraw/zinc/86/22/52/1284862252.db2.gz MXJYTXRVDBTJCN-SSDOTTSWSA-N 0 2 358.318 0.747 20 5 FCBDLN Cc1nn(CC(=O)c2ccc([N+](=O)[O-])cc2)c(=O)c(-c2nn[nH]n2)c1C ZINC001592438928 1285370957 /nfs/dbraw/zinc/37/09/57/1285370957.db2.gz WKYXGTGOSDIZMR-UHFFFAOYSA-N 0 2 355.314 0.831 20 5 FCBDLN O=c1[nH]nc([C@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3[N+](=O)[O-])C2)[nH]1 ZINC001593497743 1286180713 /nfs/dbraw/zinc/18/07/13/1286180713.db2.gz KTGWGAFWGQLUFZ-VIFPVBQESA-N 0 2 357.334 0.983 20 5 FCBDLN Cc1c(-c2nn[nH]n2)c(=O)n(CCOc2cccc([N+](=O)[O-])c2)c(=O)n1C ZINC001605464114 1287972109 /nfs/dbraw/zinc/97/21/09/1287972109.db2.gz BPLZRGSHWBUNHI-UHFFFAOYSA-N 0 2 373.329 0.023 20 5 FCBDLN C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNc1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC001606194991 1288206064 /nfs/dbraw/zinc/20/60/64/1288206064.db2.gz FBGZQGYOGXZYIJ-INIZCTEOSA-N 0 2 366.374 0.716 20 5 FCBDLN C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNc1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC001606194991 1288206067 /nfs/dbraw/zinc/20/60/67/1288206067.db2.gz FBGZQGYOGXZYIJ-INIZCTEOSA-N 0 2 366.374 0.716 20 5 FCBDLN COC(=O)[C@@H]1CC[C@H](C(=O)[O-])C[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001606386050 1288282129 /nfs/dbraw/zinc/28/21/29/1288282129.db2.gz MSKRYQHXPAZXNF-UBHSHLNASA-N 0 2 352.343 0.966 20 5 FCBDLN COC(=O)[C@@H]1CC[C@H](C(=O)[O-])C[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001606386050 1288282136 /nfs/dbraw/zinc/28/21/36/1288282136.db2.gz MSKRYQHXPAZXNF-UBHSHLNASA-N 0 2 352.343 0.966 20 5 FCBDLN COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])C[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001606386051 1288282640 /nfs/dbraw/zinc/28/26/40/1288282640.db2.gz MSKRYQHXPAZXNF-XBFCOCLRSA-N 0 2 352.343 0.966 20 5 FCBDLN COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])C[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001606386051 1288282647 /nfs/dbraw/zinc/28/26/47/1288282647.db2.gz MSKRYQHXPAZXNF-XBFCOCLRSA-N 0 2 352.343 0.966 20 5 FCBDLN O=C(Nc1ccc(N2CCC(O)CC2)c(-c2nn[nH]n2)c1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001606923641 1288564839 /nfs/dbraw/zinc/56/48/39/1288564839.db2.gz QQHJDQZHOGPUSG-TZMCWYRMSA-N 0 2 373.373 0.432 20 5 FCBDLN O=[N+]([O-])c1sc(-c2nn[nH]n2)cc1N1CCN(Cc2nnc[nH]2)CC1 ZINC001607086053 1288653996 /nfs/dbraw/zinc/65/39/96/1288653996.db2.gz ROOFSVCQCZFBKQ-UHFFFAOYSA-N 0 2 362.379 0.277 20 5 FCBDLN Cn1nc2c(cc1=O)C[N@@H+](Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1)CC2 ZINC001608153524 1288783059 /nfs/dbraw/zinc/78/30/59/1288783059.db2.gz OEPZUSIJHBASMH-UHFFFAOYSA-N 0 2 374.353 0.710 20 5 FCBDLN Cn1nc2c(cc1=O)C[N@H+](Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1)CC2 ZINC001608153524 1288783064 /nfs/dbraw/zinc/78/30/64/1288783064.db2.gz OEPZUSIJHBASMH-UHFFFAOYSA-N 0 2 374.353 0.710 20 5 FCBDLN O=C([O-])[C@H]1[C@H](O)CCCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC001610733885 1289571004 /nfs/dbraw/zinc/57/10/04/1289571004.db2.gz XFKMETBHDGCJCH-ZIAGYGMSSA-N 0 2 360.326 0.831 20 5 FCBDLN CSc1nc(O[C@@H]2COc3nc([N+](=O)[O-])cn3C2)c([N+](=O)[O-])c(=O)[nH]1 ZINC001227627493 857168137 /nfs/dbraw/zinc/16/81/37/857168137.db2.gz GROYZSJVJHQGND-YFKPBYRVSA-N 0 2 370.303 0.757 20 5 FCBDLN C[C@@H](Cn1cc[nH+]c1)NS(=O)(=O)c1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001592929997 979964018 /nfs/dbraw/zinc/96/40/18/979964018.db2.gz GURKKZNLWRNSDS-VIFPVBQESA-N 0 2 354.344 0.857 20 5 FCBDLN C[C@@H](Cn1cc[nH+]c1)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-] ZINC001592931280 979980648 /nfs/dbraw/zinc/98/06/48/979980648.db2.gz SNBWSTVYRXMJFT-VIFPVBQESA-N 0 2 354.344 0.857 20 5 FCBDLN COc1ccc(NC(=O)C[N@@H+]2CC[C@](OC)(C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC001599591320 993686639 /nfs/dbraw/zinc/68/66/39/993686639.db2.gz RLCPFTWXXSJVRX-OAHLLOKOSA-N 0 2 353.331 0.717 20 5 FCBDLN COc1ccc(NC(=O)C[N@H+]2CC[C@](OC)(C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC001599591320 993686642 /nfs/dbraw/zinc/68/66/42/993686642.db2.gz RLCPFTWXXSJVRX-OAHLLOKOSA-N 0 2 353.331 0.717 20 5 FCBDLN COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@@H](O)C[C@H](C(=O)[O-])C1 ZINC001599462303 998294599 /nfs/dbraw/zinc/29/45/99/998294599.db2.gz XMQXIQHSAAWQGQ-ONGXEEELSA-N 0 2 353.331 0.309 20 5 FCBDLN COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@@H](O)C[C@H](C(=O)[O-])C1 ZINC001599462303 998294610 /nfs/dbraw/zinc/29/46/10/998294610.db2.gz XMQXIQHSAAWQGQ-ONGXEEELSA-N 0 2 353.331 0.309 20 5 FCBDLN O=c1nc(C2CCN(S(=O)(=O)c3cccc(F)c3[N+](=O)[O-])CC2)[nH][nH]1 ZINC000294363830 214240923 /nfs/dbraw/zinc/24/09/23/214240923.db2.gz AVBSEUGFRGMHSS-UHFFFAOYSA-N 0 2 371.350 0.714 20 5 FCBDLN COC(=O)[C@H]1[C@@H](C(=O)OC)CCCN1C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000436956615 248055771 /nfs/dbraw/zinc/05/57/71/248055771.db2.gz NYQZFGFESDZXOL-GXFFZTMASA-N 0 2 366.326 0.867 20 5 FCBDLN COC(=O)Cn1cnc(NS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)n1 ZINC000437312324 248062007 /nfs/dbraw/zinc/06/20/07/248062007.db2.gz ZAHMCRBFNDYFAI-UHFFFAOYSA-N 0 2 369.359 0.777 20 5 FCBDLN COC(=O)[C@@H](C)NC(=O)c1ccc(NCc2n[nH]c(=O)[nH]2)c([N+](=O)[O-])c1 ZINC000446846750 248399981 /nfs/dbraw/zinc/39/99/81/248399981.db2.gz DJSQSIPDXRQQQL-SSDOTTSWSA-N 0 2 364.318 0.322 20 5 FCBDLN COCCO[C@H]1C[C@H](CO)CN(C(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000278753535 488893912 /nfs/dbraw/zinc/89/39/12/488893912.db2.gz UMYTXHWDPAAOGI-AAEUAGOBSA-N 0 2 354.359 0.786 20 5 FCBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)[O-] ZINC000327272644 488918981 /nfs/dbraw/zinc/91/89/81/488918981.db2.gz GTLZUBWYJLXFFX-JTQLQIEISA-N 0 2 370.343 0.301 20 5 FCBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)[O-] ZINC000327272644 488918984 /nfs/dbraw/zinc/91/89/84/488918984.db2.gz GTLZUBWYJLXFFX-JTQLQIEISA-N 0 2 370.343 0.301 20 5 FCBDLN COC(=O)Cn1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)cn1 ZINC000054040561 488216219 /nfs/dbraw/zinc/21/62/19/488216219.db2.gz NFYAQXNTNXPDSG-UHFFFAOYSA-N 0 2 370.343 0.774 20 5 FCBDLN Cc1ccc(S(=O)(=O)Nc2cnn(CC(=O)N(C)C)c2)c([N+](=O)[O-])c1 ZINC000066585045 488332378 /nfs/dbraw/zinc/33/23/78/488332378.db2.gz ITVWIJMYKIANOO-UHFFFAOYSA-N 0 2 367.387 0.989 20 5 FCBDLN Cc1cc(N2CC[C@@H](NC(=O)c3cc([N+](=O)[O-])ccc3O)C2=O)n(C)n1 ZINC000272357160 488575147 /nfs/dbraw/zinc/57/51/47/488575147.db2.gz DROTUEHZCQIAIM-GFCCVEGCSA-N 0 2 359.342 0.878 20 5 FCBDLN O=C(NCCCn1nc2n(c1=O)CCCC2)c1ccc([N+](=O)[O-])cc1O ZINC000273275895 488641491 /nfs/dbraw/zinc/64/14/91/488641491.db2.gz VUWGJQAWIBDPRU-UHFFFAOYSA-N 0 2 361.358 0.815 20 5 FCBDLN Cc1n[nH]c(NC(=O)CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])n1 ZINC000264207623 488654683 /nfs/dbraw/zinc/65/46/83/488654683.db2.gz SDHDEJSPQHRNDR-UHFFFAOYSA-N 0 2 369.363 0.109 20 5 FCBDLN CCS(=O)(=O)N1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000274627927 488723937 /nfs/dbraw/zinc/72/39/37/488723937.db2.gz WYBZJTCRDBIJAR-UHFFFAOYSA-N 0 2 357.388 0.844 20 5 FCBDLN O=C(N[C@H]1CCO[C@]2(CCS(=O)(=O)C2)C1)c1ccc([N+](=O)[O-])cc1O ZINC000274731731 488730743 /nfs/dbraw/zinc/73/07/43/488730743.db2.gz BKBHLWUIQUKYST-ZUZCIYMTSA-N 0 2 370.383 0.767 20 5 FCBDLN COC(=O)[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)[C@H](C(=O)OC)C1 ZINC000274962922 488748633 /nfs/dbraw/zinc/74/86/33/488748633.db2.gz UMKPKFPZVWFMRC-CABZTGNLSA-N 0 2 366.326 0.867 20 5 FCBDLN COC(=O)CCCONC(=O)CNC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000290768891 489164152 /nfs/dbraw/zinc/16/41/52/489164152.db2.gz VVDJCQVGGQARJN-UHFFFAOYSA-N 0 2 353.331 0.634 20 5 FCBDLN CN(C)S(=O)(=O)N(C)CCc1noc(-c2ccc([N+](=O)[O-])c(O)c2)n1 ZINC000350756449 489347378 /nfs/dbraw/zinc/34/73/78/489347378.db2.gz KRSTUYISLPSNNF-UHFFFAOYSA-N 0 2 371.375 0.631 20 5 FCBDLN O=C(Nc1cc(S(=O)(=O)NC2CC2)ccc1O)c1n[nH]cc1[N+](=O)[O-] ZINC000489541227 489716471 /nfs/dbraw/zinc/71/64/71/489716471.db2.gz YYKXROUJCQOUAE-UHFFFAOYSA-N 0 2 367.343 0.717 20 5 FCBDLN O=C([O-])c1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000493897333 489862347 /nfs/dbraw/zinc/86/23/47/489862347.db2.gz NKGXMAGPWSHHHP-SNVBAGLBSA-N 0 2 366.355 0.783 20 5 FCBDLN NC(=O)c1ccc(N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3O)CC2)nc1 ZINC000436596421 490008552 /nfs/dbraw/zinc/00/85/52/490008552.db2.gz PVOUXPBBDZDVQR-UHFFFAOYSA-N 0 2 371.353 0.757 20 5 FCBDLN O=C([O-])c1cccc(S(=O)(=O)N[C@@H]2CCn3cc[nH+]c3C2)c1[N+](=O)[O-] ZINC000521882505 490306317 /nfs/dbraw/zinc/30/63/17/490306317.db2.gz JJSWCPYNZRKDAA-SECBINFHSA-N 0 2 366.355 0.783 20 5 FCBDLN O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC000483599732 490332914 /nfs/dbraw/zinc/33/29/14/490332914.db2.gz GLLRBJQQHINROD-AWEZNQCLSA-N 0 2 365.386 0.864 20 5 FCBDLN Cc1[nH]ncc1CNC(=O)c1cc(S(N)(=O)=O)cc([N+](=O)[O-])c1C ZINC000468048051 490357217 /nfs/dbraw/zinc/35/72/17/490357217.db2.gz MVYNLHCLCCIRMX-UHFFFAOYSA-N 0 2 353.360 0.512 20 5 FCBDLN CCn1cc(S(=O)(=O)Nc2ccc(-n3cncn3)nc2)c([N+](=O)[O-])n1 ZINC000535233775 490467406 /nfs/dbraw/zinc/46/74/06/490467406.db2.gz NCVJYDWTPFNFOT-UHFFFAOYSA-N 0 2 364.347 0.588 20 5 FCBDLN NC(=O)c1ccc(N2CCN(C(=O)c3ccc([N+](=O)[O-])c(O)c3)CC2)nc1 ZINC000510047362 490487348 /nfs/dbraw/zinc/48/73/48/490487348.db2.gz GVUGLWZOMDKSQM-UHFFFAOYSA-N 0 2 371.353 0.757 20 5 FCBDLN CS(=O)(=O)Nc1nnc(NC(=O)COc2ccccc2[N+](=O)[O-])s1 ZINC000515878658 490842694 /nfs/dbraw/zinc/84/26/94/490842694.db2.gz RFGDSSMQTPEYDE-UHFFFAOYSA-N 0 2 373.372 0.835 20 5 FCBDLN NS(=O)(=O)c1ccccc1CNC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000588788648 491749688 /nfs/dbraw/zinc/74/96/88/491749688.db2.gz JDMNJKDZQOSSFS-UHFFFAOYSA-N 0 2 351.340 0.878 20 5 FCBDLN Cc1[nH]nc(C(=O)N2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)c1O ZINC000590530877 491778113 /nfs/dbraw/zinc/77/81/13/491778113.db2.gz NTTJLQREZVZMLI-UHFFFAOYSA-N 0 2 359.342 0.930 20 5 FCBDLN COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCOC[C@H]1C(=O)[O-] ZINC000590643478 491782146 /nfs/dbraw/zinc/78/21/46/491782146.db2.gz VXYLMPCBHDBABK-LBPRGKRZSA-N 0 2 353.331 0.717 20 5 FCBDLN COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCOC[C@H]1C(=O)[O-] ZINC000590643478 491782148 /nfs/dbraw/zinc/78/21/48/491782148.db2.gz VXYLMPCBHDBABK-LBPRGKRZSA-N 0 2 353.331 0.717 20 5 FCBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cnn(CC(N)=O)c1 ZINC000603982364 492048185 /nfs/dbraw/zinc/04/81/85/492048185.db2.gz JXJJVGLPIZFQGW-UHFFFAOYSA-N 0 2 355.332 0.086 20 5 FCBDLN Cc1nc(C2(NS(=O)(=O)c3nn(C)cc3[N+](=O)[O-])CCCC2)no1 ZINC000599216499 492144130 /nfs/dbraw/zinc/14/41/30/492144130.db2.gz RDHXPHMUXBZFKW-UHFFFAOYSA-N 0 2 356.364 0.768 20 5 FCBDLN CC[C@H](C)c1nc([C@@H](C)NS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])n[nH]1 ZINC000599294158 492156187 /nfs/dbraw/zinc/15/61/87/492156187.db2.gz AXNZTRSNQYKAOW-JGVFFNPUSA-N 0 2 357.396 0.999 20 5 FCBDLN O=c1[nH]nc(C2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cn3)CC2)[nH]1 ZINC000593601327 546725277 /nfs/dbraw/zinc/72/52/77/546725277.db2.gz FUUVAHBOTYJEGR-UHFFFAOYSA-N 0 2 354.348 0.382 20 5 FCBDLN Cc1nc(NS(=O)(=O)c2ccc(S(N)(=O)=O)cc2)ccc1[N+](=O)[O-] ZINC000545915299 546887391 /nfs/dbraw/zinc/88/73/91/546887391.db2.gz LQMMGBALHOBJCM-UHFFFAOYSA-N 0 2 372.384 0.746 20 5 FCBDLN CCc1ccc(Oc2c(-c3nn[nH]n3)c(=O)n(C)c(=O)n2C)c([N+](=O)[O-])c1 ZINC000736688274 599062934 /nfs/dbraw/zinc/06/29/34/599062934.db2.gz CNTLJHGUITUDAU-UHFFFAOYSA-N 0 2 373.329 0.527 20 5 FCBDLN Cc1n[nH]c([C@H]2CCCN(c3nccc(-c4nn[nH]n4)c3[N+](=O)[O-])C2)n1 ZINC000822436043 606726325 /nfs/dbraw/zinc/72/63/25/606726325.db2.gz GEPNJVSCROXYBA-VIFPVBQESA-N 0 2 356.350 0.980 20 5 FCBDLN Cc1nc([C@H]2CCCN(c3nccc(-c4nn[nH]n4)c3[N+](=O)[O-])C2)n[nH]1 ZINC000822436043 606726327 /nfs/dbraw/zinc/72/63/27/606726327.db2.gz GEPNJVSCROXYBA-VIFPVBQESA-N 0 2 356.350 0.980 20 5 FCBDLN Cc1nnc([C@H]2CCCN(c3nccc(-c4nn[nH]n4)c3[N+](=O)[O-])C2)[nH]1 ZINC000822436043 606726328 /nfs/dbraw/zinc/72/63/28/606726328.db2.gz GEPNJVSCROXYBA-VIFPVBQESA-N 0 2 356.350 0.980 20 5 FCBDLN O=C(CNc1ccc(-c2nn[nH]n2)cn1)Nc1cc([N+](=O)[O-])ccc1O ZINC000826414274 608166823 /nfs/dbraw/zinc/16/68/23/608166823.db2.gz NMPOIOGTRVNMSV-UHFFFAOYSA-N 0 2 356.302 0.926 20 5 FCBDLN C[C@@H](Nc1c(-c2nn[nH]n2)c(=O)n(C)c(=O)n1C)c1ccccc1[N+](=O)[O-] ZINC000824648688 608415845 /nfs/dbraw/zinc/41/58/45/608415845.db2.gz ITUDHLKZDOIDQM-MRVPVSSYSA-N 0 2 372.345 0.345 20 5 FCBDLN COCCS(=O)(=O)[N-]C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000732521970 666886134 /nfs/dbraw/zinc/88/61/34/666886134.db2.gz ZAIGJADJQVDVKH-UHFFFAOYSA-N 0 2 354.344 0.487 20 5 FCBDLN N=C1NC(=O)[C@H](CC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)S1 ZINC000742476581 668035959 /nfs/dbraw/zinc/03/59/59/668035959.db2.gz AVSSLJORXSFRGC-LBPRGKRZSA-N 0 2 363.399 0.800 20 5 FCBDLN COC(=O)Cn1cnc(NS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])n1 ZINC000743048358 668043702 /nfs/dbraw/zinc/04/37/02/668043702.db2.gz LSXZDNSJPQWLRD-UHFFFAOYSA-N 0 2 359.295 0.299 20 5 FCBDLN O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])OCc1n[nH]c(=O)[nH]1 ZINC000774941241 668185808 /nfs/dbraw/zinc/18/58/08/668185808.db2.gz ABLXFSPEWQBXQZ-UHFFFAOYSA-N 0 2 355.694 0.545 20 5 FCBDLN O=C(OCc1n[nH]c(=O)[nH]1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000774950818 668186673 /nfs/dbraw/zinc/18/66/73/668186673.db2.gz PSEACUYCRYLEKB-ZETCQYMHSA-N 0 2 351.275 0.360 20 5 FCBDLN O=C(OCc1n[nH]c(=O)[nH]1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000774949677 668186719 /nfs/dbraw/zinc/18/67/19/668186719.db2.gz LTDLKXONYNXGGI-SSDOTTSWSA-N 0 2 367.343 0.828 20 5 FCBDLN Cn1nnc(CNS(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)n1 ZINC000809839345 669644496 /nfs/dbraw/zinc/64/44/96/669644496.db2.gz JIEMXCIQAXLJAQ-UHFFFAOYSA-N 0 2 350.719 0.389 20 5 FCBDLN Cc1ccc2n[nH]c(C(=O)N3C[C@H]4[C@@H](C3)[C@@H]4NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])c2c1 ZINC000976484124 1185959323 /nfs/dbraw/zinc/95/93/23/1185959323.db2.gz PDXVNFJWAWOVOB-AMVBZWJASA-N 0 2 369.381 0.723 20 5 FCBDLN O=C(NC[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)c1n[nH]c2ccccc21 ZINC000979285141 1186068412 /nfs/dbraw/zinc/06/84/12/1186068412.db2.gz DOYPNMDIACADMZ-IQOUGMIPSA-N 0 2 357.370 0.853 20 5 FCBDLN O=C(NC1CN(C(=O)c2cn[nH]c2-c2ccccn2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000991293532 1195870689 /nfs/dbraw/zinc/87/06/89/1195870689.db2.gz OARVJUOJOBFVRL-ZWNOBZJWSA-N 0 2 356.342 0.078 20 5 FCBDLN O=C(NC1CCN(C(=O)c2cccc3[nH]cnc32)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000947976921 1212108970 /nfs/dbraw/zinc/10/89/70/1212108970.db2.gz NCAQNNHEDHIDKR-TZMCWYRMSA-N 0 2 357.370 0.949 20 5 FCBDLN O=C(NCC1=CCN(C(=O)c2cc(C(F)F)[nH]n2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001017444530 1213874928 /nfs/dbraw/zinc/87/49/28/1213874928.db2.gz CGJXFXSYUPNRBS-BXKDBHETSA-N 0 2 369.328 0.901 20 5 FCBDLN O=C(c1cccc2[nH]cnc21)N1CC2(C1)CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C2 ZINC001019325871 1214231030 /nfs/dbraw/zinc/23/10/30/1214231030.db2.gz SPPOJPKJVJRXIE-TZMCWYRMSA-N 0 2 369.381 0.903 20 5 FCBDLN Cc1ncc(C(=O)N2CC[C@H]3CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C[C@H]3CC2)[nH]1 ZINC000967332114 1215231120 /nfs/dbraw/zinc/23/11/20/1215231120.db2.gz PVJNKNZHUUVWNW-QVHKTLOISA-N 0 2 361.402 0.694 20 5 FCBDLN CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CN(C(=O)c2cccc3nn[nH]c32)C1 ZINC000967951014 1215266061 /nfs/dbraw/zinc/26/60/61/1215266061.db2.gz MVXZRTCXYXZDLG-DGCLKSJQSA-N 0 2 358.358 0.296 20 5 FCBDLN C[C@H](CNc1[nH]c(=O)n(C)c(=O)c1-c1nn[nH]n1)c1ccccc1[N+](=O)[O-] ZINC001589876510 1283105486 /nfs/dbraw/zinc/10/54/86/1283105486.db2.gz YGCXYFAOKJRBEV-MRVPVSSYSA-N 0 2 372.345 0.790 20 5 FCBDLN O=c1[nH]nc([C@@H]2CCCN(c3ccc([N+](=O)[O-])cc3-c3nn[nH]n3)C2)[nH]1 ZINC001593497924 1286180791 /nfs/dbraw/zinc/18/07/91/1286180791.db2.gz NQKPXYPCAUMDOB-MRVPVSSYSA-N 0 2 357.334 0.983 20 5 FCBDLN O=c1c(-c2nn[nH]n2)cccn1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC001609604068 1289257718 /nfs/dbraw/zinc/25/77/18/1289257718.db2.gz TXSYRJYMTISCPC-UHFFFAOYSA-N 0 2 356.298 0.851 20 5 FCBDLN O=C([O-])[C@H]1[C@@H](O)CCC[N@@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC001610732419 1289570136 /nfs/dbraw/zinc/57/01/36/1289570136.db2.gz FCKUFDNNKWCIFO-QWHCGFSZSA-N 0 2 358.372 0.278 20 5 FCBDLN O=C([O-])[C@H]1[C@@H](O)CCC[N@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC001610732419 1289570145 /nfs/dbraw/zinc/57/01/45/1289570145.db2.gz FCKUFDNNKWCIFO-QWHCGFSZSA-N 0 2 358.372 0.278 20 5 FCBDLN O=[N+]([O-])c1ccc(CO[C@@H](C[NH+]2CCOCC2)CS(=O)(=O)[O-])cc1 ZINC001222791004 856873053 /nfs/dbraw/zinc/87/30/53/856873053.db2.gz GQVITLBQCXSHKY-AWEZNQCLSA-N 0 2 360.388 0.700 20 5 FCBDLN CC1(C)O[C@H]2O[C@@H]3[C@H](Oc4cccc(O)c4[N+](=O)[O-])C(=O)O[C@@H]3[C@H]2O1 ZINC001225620816 857051208 /nfs/dbraw/zinc/05/12/08/857051208.db2.gz WBJWFXRFRFXJIF-ZXPJVPCYSA-N 0 2 353.283 0.850 20 5 FCBDLN CN(CCO)CCNS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC001309846113 866925350 /nfs/dbraw/zinc/92/53/50/866925350.db2.gz QQTTWJHRXQFVGO-UHFFFAOYSA-N 0 2 355.775 0.590 20 5 FCBDLN O=C([O-])CS(=O)(=O)CC[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC001595123511 951986810 /nfs/dbraw/zinc/98/68/10/951986810.db2.gz GAPUTYYLXVLAEH-UHFFFAOYSA-N 0 2 372.399 0.937 20 5 FCBDLN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CC[NH+](CCC(=O)[O-])CC1 ZINC001338387432 961993136 /nfs/dbraw/zinc/99/31/36/961993136.db2.gz KYYSGFBAKRTBRE-UHFFFAOYSA-N 0 2 371.415 0.993 20 5 FCBDLN Cc1noc(C[NH+]2CCC(N3C[C@H](C(=O)[O-])CC3=O)CC2)c1[N+](=O)[O-] ZINC001605450038 973536105 /nfs/dbraw/zinc/53/61/05/973536105.db2.gz ZZACGWUXVUQRJG-SNVBAGLBSA-N 0 2 352.347 0.789 20 5 FCBDLN CCc1nc(CNS(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)n[nH]1 ZINC000296979059 214372869 /nfs/dbraw/zinc/37/28/69/214372869.db2.gz IMNVPGULJZASDK-UHFFFAOYSA-N 0 2 369.359 0.525 20 5 FCBDLN COC(=O)CN(CCN1CCOCC1)C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000265390018 210117517 /nfs/dbraw/zinc/11/75/17/210117517.db2.gz MTOHQODDJQBGGU-UHFFFAOYSA-N 0 2 367.358 0.248 20 5 FCBDLN O=C(CN1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC1)N1CCCC1 ZINC000332353543 215135009 /nfs/dbraw/zinc/13/50/09/215135009.db2.gz VUAWKCFCXTYTDD-UHFFFAOYSA-N 0 2 362.386 0.681 20 5 FCBDLN Cc1cnn(C)c1S(=O)(=O)Nc1cc([N+](=O)[O-])ccc1NCCO ZINC000285006196 213265591 /nfs/dbraw/zinc/26/55/91/213265591.db2.gz GEESUTYJIHKYOL-UHFFFAOYSA-N 0 2 355.376 0.842 20 5 FCBDLN COCC(COC)[NH+]1CCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)CC1 ZINC000412434424 237208918 /nfs/dbraw/zinc/20/89/18/237208918.db2.gz HJPAPHWTFWAUEM-UHFFFAOYSA-N 0 2 353.375 0.720 20 5 FCBDLN CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000373480827 217022464 /nfs/dbraw/zinc/02/24/64/217022464.db2.gz NSELEDAXYDYNRS-LLVKDONJSA-N 0 2 357.388 0.843 20 5 FCBDLN CCOC(=O)Cn1cnc(NS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])n1 ZINC000424216909 247177876 /nfs/dbraw/zinc/17/78/76/247177876.db2.gz BVEMDYVAXCGJMA-UHFFFAOYSA-N 0 2 369.359 0.859 20 5 FCBDLN CN(C)C(=O)Cn1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)n1 ZINC000442317537 248285452 /nfs/dbraw/zinc/28/54/52/248285452.db2.gz FFDLOFZGQNVNAE-UHFFFAOYSA-N 0 2 353.360 0.680 20 5 FCBDLN O=[N+]([O-])c1ccn(C2CCN(S(=O)(=O)NCC(F)(F)F)CC2)n1 ZINC000443215123 248312035 /nfs/dbraw/zinc/31/20/35/248312035.db2.gz XEPKXSMHPIHFNL-UHFFFAOYSA-N 0 2 357.314 0.825 20 5 FCBDLN CCn1cc(S(=O)(=O)Nc2ccnc(C(=O)N(C)C)c2)c([N+](=O)[O-])n1 ZINC000443423371 248324902 /nfs/dbraw/zinc/32/49/02/248324902.db2.gz QMULLHOTIDBIDR-UHFFFAOYSA-N 0 2 368.375 0.131 20 5 FCBDLN CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000271279209 211368874 /nfs/dbraw/zinc/36/88/74/211368874.db2.gz NRNWSNDETNNLBV-UHFFFAOYSA-N 0 2 350.375 0.584 20 5 FCBDLN CCNC(=O)C[N@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000271279209 211368878 /nfs/dbraw/zinc/36/88/78/211368878.db2.gz NRNWSNDETNNLBV-UHFFFAOYSA-N 0 2 350.375 0.584 20 5 FCBDLN COCCN(C(=O)c1cc([N+](=O)[O-])ccc1O)[C@H]1CCS(=O)(=O)C1 ZINC000271242979 211363800 /nfs/dbraw/zinc/36/38/00/211363800.db2.gz FOOYTSATFABLBV-NSHDSACASA-N 0 2 358.372 0.576 20 5 FCBDLN COCCCN(C(=O)c1ccc([N+](=O)[O-])c(O)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000270680050 211246104 /nfs/dbraw/zinc/24/61/04/211246104.db2.gz SLVBFVJVHMAWCZ-GFCCVEGCSA-N 0 2 372.399 0.966 20 5 FCBDLN Cc1cc(S(=O)(=O)Nc2ncn(CC(=O)N(C)C)n2)ccc1[N+](=O)[O-] ZINC000266359390 210326929 /nfs/dbraw/zinc/32/69/29/210326929.db2.gz RRIRQPXXXPPBKY-UHFFFAOYSA-N 0 2 368.375 0.384 20 5 FCBDLN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)[O-] ZINC000323991818 488904235 /nfs/dbraw/zinc/90/42/35/488904235.db2.gz CIKLMPBLMXQIRU-LLVKDONJSA-N 0 2 354.344 0.601 20 5 FCBDLN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)[O-] ZINC000323991818 488904238 /nfs/dbraw/zinc/90/42/38/488904238.db2.gz CIKLMPBLMXQIRU-LLVKDONJSA-N 0 2 354.344 0.601 20 5 FCBDLN O=C([O-])[C@H](Cc1c[nH+]c[nH]1)NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000323894073 488904578 /nfs/dbraw/zinc/90/45/78/488904578.db2.gz XJIBQHGOMDWWGQ-LBPRGKRZSA-N 0 2 354.344 0.433 20 5 FCBDLN O=C([O-])[C@H](Cc1c[nH]c[nH+]1)NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000323894073 488904581 /nfs/dbraw/zinc/90/45/81/488904581.db2.gz XJIBQHGOMDWWGQ-LBPRGKRZSA-N 0 2 354.344 0.433 20 5 FCBDLN O=C([O-])[C@@H](Cc1c[nH+]c[nH]1)NS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000326064277 488913485 /nfs/dbraw/zinc/91/34/85/488913485.db2.gz FSIUQFMIMXQBGS-LLVKDONJSA-N 0 2 354.344 0.433 20 5 FCBDLN O=C([O-])[C@@H](Cc1c[nH]c[nH+]1)NS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000326064277 488913488 /nfs/dbraw/zinc/91/34/88/488913488.db2.gz FSIUQFMIMXQBGS-LLVKDONJSA-N 0 2 354.344 0.433 20 5 FCBDLN O=C(NCCc1ccc([N+](=O)[O-])cc1)c1c[nH]c2nc(=O)[nH]c(=O)c-2c1 ZINC000054167594 488218809 /nfs/dbraw/zinc/21/88/09/488218809.db2.gz ICVKSMGJCDLUNA-UHFFFAOYSA-N 0 2 355.310 0.904 20 5 FCBDLN CNC(=O)Cn1cc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cn1 ZINC000055641167 488245336 /nfs/dbraw/zinc/24/53/36/488245336.db2.gz XQKLVEXLBNLCPS-UHFFFAOYSA-N 0 2 353.360 0.647 20 5 FCBDLN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)[O-] ZINC000274946833 488746988 /nfs/dbraw/zinc/74/69/88/488746988.db2.gz RWYABNJPESVHCX-GFCCVEGCSA-N 0 2 368.371 0.909 20 5 FCBDLN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)[O-] ZINC000274946833 488746989 /nfs/dbraw/zinc/74/69/89/488746989.db2.gz RWYABNJPESVHCX-GFCCVEGCSA-N 0 2 368.371 0.909 20 5 FCBDLN O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H](F)C(F)(F)F ZINC000290101905 489113821 /nfs/dbraw/zinc/11/38/21/489113821.db2.gz JZIQNLOFDLBZKR-VIFPVBQESA-N 0 2 373.284 0.890 20 5 FCBDLN O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(F)C(F)(F)F ZINC000290101905 489113824 /nfs/dbraw/zinc/11/38/24/489113824.db2.gz JZIQNLOFDLBZKR-VIFPVBQESA-N 0 2 373.284 0.890 20 5 FCBDLN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCC[C@@H](c2nc(=O)[nH][nH]2)C1 ZINC000282946368 489201056 /nfs/dbraw/zinc/20/10/56/489201056.db2.gz PZXVYTFAHTWBIA-MRVPVSSYSA-N 0 2 357.330 0.902 20 5 FCBDLN O=C(N[C@@H]1CCCN(S(=O)(=O)C2CC2)C1)c1cccc(O)c1[N+](=O)[O-] ZINC000286446445 489392047 /nfs/dbraw/zinc/39/20/47/489392047.db2.gz HIANABXICURJQK-SNVBAGLBSA-N 0 2 369.399 0.987 20 5 FCBDLN Cc1ccc(S(=O)(=O)Nc2ccn(CC(=O)N(C)C)n2)cc1[N+](=O)[O-] ZINC000299548136 489454289 /nfs/dbraw/zinc/45/42/89/489454289.db2.gz CNHHUYWJSRWLCZ-UHFFFAOYSA-N 0 2 367.387 0.989 20 5 FCBDLN COC(=O)CNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000416315974 489582540 /nfs/dbraw/zinc/58/25/40/489582540.db2.gz AMPJVZJZRLHBQB-LLVKDONJSA-N 0 2 351.315 0.194 20 5 FCBDLN CN1C(=O)N[C@@]2(CCC[C@H]2CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)C1=O ZINC000372711233 489627727 /nfs/dbraw/zinc/62/77/27/489627727.db2.gz BZRLNPNKQCMLRR-MGPLVRAMSA-N 0 2 362.342 0.751 20 5 FCBDLN CS(=O)(=O)Cc1ccc(S(=O)(=O)Nc2ccncc2[N+](=O)[O-])cc1 ZINC000461116246 489896174 /nfs/dbraw/zinc/89/61/74/489896174.db2.gz XYIYOTVYISECJA-UHFFFAOYSA-N 0 2 371.396 0.757 20 5 FCBDLN COC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)c2cccc([N+](=O)[O-])c2[O-])C1 ZINC000436611058 490009831 /nfs/dbraw/zinc/00/98/31/490009831.db2.gz URTSBQHKFWACGC-NSHDSACASA-N 0 2 351.359 0.915 20 5 FCBDLN COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)c2cccc([N+](=O)[O-])c2[O-])C1 ZINC000436611058 490009835 /nfs/dbraw/zinc/00/98/35/490009835.db2.gz URTSBQHKFWACGC-NSHDSACASA-N 0 2 351.359 0.915 20 5 FCBDLN CC[C@@H](C)NC(=O)CN1CCN(C(=O)c2cc([N+](=O)[O-])ccc2O)CC1 ZINC000436749422 490012381 /nfs/dbraw/zinc/01/23/81/490012381.db2.gz AVELFEKOIJNUTN-GFCCVEGCSA-N 0 2 364.402 0.973 20 5 FCBDLN COC(=O)[C@H]1[C@@H](C(=O)OC)CCCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436901094 490014967 /nfs/dbraw/zinc/01/49/67/490014967.db2.gz PUSQEXDKOBZIDU-WCQYABFASA-N 0 2 366.326 0.867 20 5 FCBDLN COCCNC(=O)Cn1cc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])cn1 ZINC000498875370 490359916 /nfs/dbraw/zinc/35/99/16/490359916.db2.gz UUPWNIZYYAKJEG-UHFFFAOYSA-N 0 2 363.330 0.512 20 5 FCBDLN O=C(Cn1cc([N+](=O)[O-])ccc1=O)N=c1nc(-c2cccnc2)[nH]s1 ZINC000535174676 490462236 /nfs/dbraw/zinc/46/22/36/490462236.db2.gz QCWOBGFOZDHBEA-UHFFFAOYSA-N 0 2 358.339 0.731 20 5 FCBDLN COc1ccc(S(=O)(=O)Nc2nc3ncccn3n2)cc1[N+](=O)[O-] ZINC000503976139 490783535 /nfs/dbraw/zinc/78/35/35/490783535.db2.gz FPDFOBGXXBNMPU-UHFFFAOYSA-N 0 2 350.316 0.842 20 5 FCBDLN COC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000560611814 491547276 /nfs/dbraw/zinc/54/72/76/491547276.db2.gz IVPPUINODAQUNW-LBPRGKRZSA-N 0 2 367.358 0.734 20 5 FCBDLN O=C([O-])C(=O)N1CC[NH+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000577399876 491619223 /nfs/dbraw/zinc/61/92/23/491619223.db2.gz LKYIZIWWOAFAFT-UHFFFAOYSA-N 0 2 350.331 0.152 20 5 FCBDLN O=[N+]([O-])c1c(Nc2ccn(CC(F)F)n2)ncnc1N1CCOCC1 ZINC000598603273 492107481 /nfs/dbraw/zinc/10/74/81/492107481.db2.gz ZEVMJIAYEBWARN-UHFFFAOYSA-N 0 2 355.305 1.427 20 5 FCBDLN COCc1nnc(CNS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)[nH]1 ZINC000598619444 492108962 /nfs/dbraw/zinc/10/89/62/492108962.db2.gz RXVIARODIHTYKJ-UHFFFAOYSA-N 0 2 355.376 0.955 20 5 FCBDLN CCOCc1nc([C@H](C)NS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])no1 ZINC000599309981 492158436 /nfs/dbraw/zinc/15/84/36/492158436.db2.gz NVFFHJMTWGEAHC-ZETCQYMHSA-N 0 2 360.352 0.287 20 5 FCBDLN CS(=O)(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000600354581 492264280 /nfs/dbraw/zinc/26/42/80/492264280.db2.gz AKIJLFIYYUHUAU-GHMZBOCLSA-N 0 2 357.388 0.891 20 5 FCBDLN COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccnc2ncnn21 ZINC000619507653 492267568 /nfs/dbraw/zinc/26/75/68/492267568.db2.gz YEHRLFYFVDYSOI-UHFFFAOYSA-N 0 2 350.316 0.842 20 5 FCBDLN COCc1nnc(CNS(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)[nH]1 ZINC000594828046 547014754 /nfs/dbraw/zinc/01/47/54/547014754.db2.gz QOFNHIGTHDUZDG-UHFFFAOYSA-N 0 2 355.376 0.955 20 5 FCBDLN COCc1nnc(CNS(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)[nH]1 ZINC000594827652 547014829 /nfs/dbraw/zinc/01/48/29/547014829.db2.gz LOVYTVVNFZIPRL-UHFFFAOYSA-N 0 2 357.348 0.346 20 5 FCBDLN CCN(Cc1nnc(C)[nH]1)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000957713242 674551289 /nfs/dbraw/zinc/55/12/89/674551289.db2.gz UBZJSPDBQJTYDR-ZIAGYGMSSA-N 0 2 350.423 0.839 20 5 FCBDLN C[C@H](Nc1c(-c2nn[nH]n2)c(=O)n(C)c(=O)n1C)c1ccccc1[N+](=O)[O-] ZINC000824648691 608415839 /nfs/dbraw/zinc/41/58/39/608415839.db2.gz ITUDHLKZDOIDQM-QMMMGPOBSA-N 0 2 372.345 0.345 20 5 FCBDLN Cn1cc(-c2nn[nH]n2)c(=O)n(Cc2ccc([N+](=O)[O-])cc2Cl)c1=O ZINC000826356928 609449340 /nfs/dbraw/zinc/44/93/40/609449340.db2.gz LBTWYJWDLIDZCT-UHFFFAOYSA-N 0 2 363.721 0.337 20 5 FCBDLN O=C(Cn1[nH]cc2c(=O)ncnc1-2)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000756995174 667694700 /nfs/dbraw/zinc/69/47/00/667694700.db2.gz AJPJXEWDCNIMAC-UHFFFAOYSA-N 0 2 362.733 0.949 20 5 FCBDLN CCN(C)S(=O)(=O)[N-]C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000744241457 668057847 /nfs/dbraw/zinc/05/78/47/668057847.db2.gz IQUKLRAJOCATFR-UHFFFAOYSA-N 0 2 353.360 0.707 20 5 FCBDLN COc1ncc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)cc1C(N)=O ZINC000768888024 668103811 /nfs/dbraw/zinc/10/38/11/668103811.db2.gz IVTXBJWJLBCAGX-UHFFFAOYSA-N 0 2 358.357 0.960 20 5 FCBDLN CCOCCS(=O)(=O)[N-]C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000835149685 669986887 /nfs/dbraw/zinc/98/68/87/669986887.db2.gz FVOXKSUCDRZRDY-UHFFFAOYSA-N 0 2 368.371 0.877 20 5 FCBDLN O=C(N[C@H]1C[C@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)c1ccc2[nH]nnc2c1 ZINC000979753993 1186115825 /nfs/dbraw/zinc/11/58/25/1186115825.db2.gz ULRSJABGDZAGDJ-IDTAVKCVSA-N 0 2 358.358 0.248 20 5 FCBDLN CC(C)(C)C(=O)N1CCC(CN2CC(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CC1 ZINC001030292776 1196621397 /nfs/dbraw/zinc/62/13/97/1196621397.db2.gz VGBCNCVKHDXUKY-HUUCEWRRSA-N 0 2 366.462 0.737 20 5 FCBDLN O=C(c1cccc2[nH]cnc21)N1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@H]2C1 ZINC000961555675 1214226837 /nfs/dbraw/zinc/22/68/37/1214226837.db2.gz XAHOLXZLKVLDLP-NDPMZMCLSA-N 0 2 369.381 0.759 20 5 FCBDLN CCC1(NC(=O)C2=NC(=O)N(C)C2)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001069368199 1216785566 /nfs/dbraw/zinc/78/55/66/1216785566.db2.gz MWGGFKNRWPVSMD-ZYHUDNBSSA-N 0 2 365.390 0.292 20 5 FCBDLN O=C([N-]S(=O)(=O)c1cnccn1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000758560579 1220243290 /nfs/dbraw/zinc/24/32/90/1220243290.db2.gz HVEVNNKELLRYEG-UHFFFAOYSA-N 0 2 374.338 0.689 20 5 FCBDLN CN(CC[NH+]1CCOCC1)c1nnc(-c2ccc([N+](=O)[O-])c([O-])c2)n1C ZINC001344897801 1270271382 /nfs/dbraw/zinc/27/13/82/1270271382.db2.gz LFYORXSOZOSCQO-UHFFFAOYSA-N 0 2 362.390 0.864 20 5 FCBDLN CCn1cc(-c2nn[nH]n2)c(=O)n(CCOc2ccccc2[N+](=O)[O-])c1=O ZINC001590950131 1283997117 /nfs/dbraw/zinc/99/71/17/1283997117.db2.gz SAWIOZCIYPBBBE-UHFFFAOYSA-N 0 2 373.329 0.197 20 5 FCBDLN Cc1c(-c2nn[nH]n2)c(=O)n(/C=C/c2ccc([N+](=O)[O-])o2)c(=O)n1C1CC1 ZINC001591795004 1284909682 /nfs/dbraw/zinc/90/96/82/1284909682.db2.gz UUHYYVZMUSNGSF-VOTSOKGWSA-N 0 2 371.313 0.963 20 5 FCBDLN Cc1nc(CN2CCN(c3ccc([N+](=O)[O-])c(-c4nn[nH]n4)c3)CC2)n[nH]1 ZINC001592361061 1285275266 /nfs/dbraw/zinc/27/52/66/1285275266.db2.gz DCIRGEIQSSWKNF-UHFFFAOYSA-N 0 2 370.377 0.524 20 5 FCBDLN Cn1ccnc1[C@H]([NH2+]CCn1cc(C(=O)[O-])nn1)c1ccc([N+](=O)[O-])cc1 ZINC001600984029 1286588607 /nfs/dbraw/zinc/58/86/07/1286588607.db2.gz UVELEEZKPCXHDI-CQSZACIVSA-N 0 2 371.357 0.997 20 5 FCBDLN Cn1c[nH+]c(CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])c1 ZINC001600988830 1286590426 /nfs/dbraw/zinc/59/04/26/1286590426.db2.gz IHWASOIDCFHQID-UHFFFAOYSA-N 0 2 354.344 0.548 20 5 FCBDLN O=c1[nH]nc(C2CCN(c3cccc(-c4nn[nH]n4)c3[N+](=O)[O-])CC2)[nH]1 ZINC001607090531 1288656933 /nfs/dbraw/zinc/65/69/33/1288656933.db2.gz MEVJFQVAOLRYDE-UHFFFAOYSA-N 0 2 357.334 0.983 20 5 FCBDLN O=[N+]([O-])c1cccc(CO[C@@H](C[NH+]2CCOCC2)CS(=O)(=O)[O-])c1 ZINC001222768052 856871282 /nfs/dbraw/zinc/87/12/82/856871282.db2.gz GSBKOLXAWCSAMU-AWEZNQCLSA-N 0 2 360.388 0.700 20 5 FCBDLN Cn1c(-c2ccc(O)c([N+](=O)[O-])c2)nnc1N1CCS(=O)(=O)CC1 ZINC001345689638 871460399 /nfs/dbraw/zinc/46/03/99/871460399.db2.gz KWCUREJYWCYCEZ-UHFFFAOYSA-N 0 2 353.360 0.331 20 5 FCBDLN O=C([O-])CC[NH+]1CCN(S(=O)(=O)CCc2ccccc2[N+](=O)[O-])CC1 ZINC001332212806 873411060 /nfs/dbraw/zinc/41/10/60/873411060.db2.gz DGAXWOCKGIHCGP-UHFFFAOYSA-N 0 2 371.415 0.559 20 5 FCBDLN COc1ccc(NC(=O)[C@H](C)[N@H+]2C[C@H](C(=O)[O-])C[C@H](O)C2)c([N+](=O)[O-])c1 ZINC001599591027 993682545 /nfs/dbraw/zinc/68/25/45/993682545.db2.gz UAMYOYGKSINDBZ-AXFHLTTASA-N 0 2 367.358 0.698 20 5 FCBDLN COc1ccc(NC(=O)[C@H](C)[N@@H+]2C[C@H](C(=O)[O-])C[C@H](O)C2)c([N+](=O)[O-])c1 ZINC001599591027 993682550 /nfs/dbraw/zinc/68/25/50/993682550.db2.gz UAMYOYGKSINDBZ-AXFHLTTASA-N 0 2 367.358 0.698 20 5 FCBDLN COC(=O)[C@@H]1C[N@H+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C[C@@H]1C(=O)[O-] ZINC001598821672 996335021 /nfs/dbraw/zinc/33/50/21/996335021.db2.gz LOTUEWXURRMYTK-WDEREUQCSA-N 0 2 365.342 0.647 20 5 FCBDLN COC(=O)[C@@H]1C[N@@H+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C[C@@H]1C(=O)[O-] ZINC001598821672 996335023 /nfs/dbraw/zinc/33/50/23/996335023.db2.gz LOTUEWXURRMYTK-WDEREUQCSA-N 0 2 365.342 0.647 20 5 FCBDLN CCOC(=O)C(C)(C)ONC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000295718499 214315100 /nfs/dbraw/zinc/31/51/00/214315100.db2.gz QDFLYOWYVNFUKP-UHFFFAOYSA-N 0 2 353.331 0.714 20 5 FCBDLN COC(=O)c1cc(NS(=O)(=O)[C@@H](C)C(=O)N(C)C)c(C)c([N+](=O)[O-])c1 ZINC000285342299 213326786 /nfs/dbraw/zinc/32/67/86/213326786.db2.gz VJQXJAMPSRABJE-VIFPVBQESA-N 0 2 373.387 0.908 20 5 FCBDLN Cc1ccc(C)c(S(=O)(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)[O-])c1[N+](=O)[O-] ZINC000277305918 212348528 /nfs/dbraw/zinc/34/85/28/212348528.db2.gz SLXUOHOJGRIJEZ-NSHDSACASA-N 0 2 368.371 0.909 20 5 FCBDLN Cc1ccc(C)c(S(=O)(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)[O-])c1[N+](=O)[O-] ZINC000277305918 212348532 /nfs/dbraw/zinc/34/85/32/212348532.db2.gz SLXUOHOJGRIJEZ-NSHDSACASA-N 0 2 368.371 0.909 20 5 FCBDLN COC(=O)c1cn([C@H]2CCN(C(=O)c3cc(O)ccc3[N+](=O)[O-])C2)nn1 ZINC000376091053 217356092 /nfs/dbraw/zinc/35/60/92/217356092.db2.gz IDUPEMHGZKNGIB-VIFPVBQESA-N 0 2 361.314 0.766 20 5 FCBDLN CCOC(=O)Cn1cnc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)n1 ZINC000424225594 247180506 /nfs/dbraw/zinc/18/05/06/247180506.db2.gz VRYFWLIIGDPSML-UHFFFAOYSA-N 0 2 369.359 0.859 20 5 FCBDLN NC(=O)CNC(=O)c1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2O)cc1 ZINC000436869193 248053518 /nfs/dbraw/zinc/05/35/18/248053518.db2.gz LZFAFMYIVAIHIR-UHFFFAOYSA-N 0 2 372.337 0.446 20 5 FCBDLN O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC000436969399 248055503 /nfs/dbraw/zinc/05/55/03/248055503.db2.gz YACYVWYKGKDFRT-AWEZNQCLSA-N 0 2 365.386 0.864 20 5 FCBDLN CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)C(=O)N1CCOCC1 ZINC000436985487 248057601 /nfs/dbraw/zinc/05/76/01/248057601.db2.gz DFYLWEOYSSBVGS-CQSZACIVSA-N 0 2 351.359 0.914 20 5 FCBDLN COC(=O)Cn1cnc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)n1 ZINC000437341492 248065317 /nfs/dbraw/zinc/06/53/17/248065317.db2.gz MOAHXOJQECMGMR-UHFFFAOYSA-N 0 2 355.332 0.469 20 5 FCBDLN Cn1c2c(ccn2CC(=O)Nc2ccc(O)c([N+](=O)[O-])c2)c(=O)n(C)c1=O ZINC000483439577 250442976 /nfs/dbraw/zinc/44/29/76/250442976.db2.gz FCPQVKJMAXSCKH-UHFFFAOYSA-N 0 2 373.325 0.291 20 5 FCBDLN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1ncn(CC(=O)N(C)C)n1 ZINC000266349141 210324091 /nfs/dbraw/zinc/32/40/91/210324091.db2.gz OWOPKQLEHBAQEH-UHFFFAOYSA-N 0 2 368.375 0.384 20 5 FCBDLN COCCO[C@@H]1C[C@@H](CO)CN(C(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000278526856 488880193 /nfs/dbraw/zinc/88/01/93/488880193.db2.gz GYYZBHCGKHYMLY-DGCLKSJQSA-N 0 2 354.359 0.786 20 5 FCBDLN COc1ccc(S(=O)(=O)N[C@H](Cc2c[nH+]c[nH]2)C(=O)[O-])cc1[N+](=O)[O-] ZINC000327276528 488919300 /nfs/dbraw/zinc/91/93/00/488919300.db2.gz HWNRSKSBKYKRNL-SNVBAGLBSA-N 0 2 370.343 0.301 20 5 FCBDLN COc1ccc(S(=O)(=O)N[C@H](Cc2c[nH]c[nH+]2)C(=O)[O-])cc1[N+](=O)[O-] ZINC000327276528 488919304 /nfs/dbraw/zinc/91/93/04/488919304.db2.gz HWNRSKSBKYKRNL-SNVBAGLBSA-N 0 2 370.343 0.301 20 5 FCBDLN CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000028958531 487715707 /nfs/dbraw/zinc/71/57/07/487715707.db2.gz XPBFRTXFCSRSDH-UHFFFAOYSA-N 0 2 361.339 0.853 20 5 FCBDLN CS(=O)(=O)Nc1nnc(NC(=O)CNc2ccccc2[N+](=O)[O-])s1 ZINC000065876155 488322329 /nfs/dbraw/zinc/32/23/29/488322329.db2.gz OWKMNWRKCUPAHT-UHFFFAOYSA-N 0 2 372.388 0.868 20 5 FCBDLN CS(=O)(=O)N[C@@H]1CCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000268184247 488394558 /nfs/dbraw/zinc/39/45/58/488394558.db2.gz CZCGNSLNWNJPPK-WDEREUQCSA-N 0 2 357.388 0.748 20 5 FCBDLN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[NH+]([C@H](C)C(=O)[O-])CC1 ZINC000261764188 488535106 /nfs/dbraw/zinc/53/51/06/488535106.db2.gz WDKDGMMSOLCLIN-LLVKDONJSA-N 0 2 357.388 0.683 20 5 FCBDLN CS(=O)(=O)N[C@H]1CCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000272397999 488577862 /nfs/dbraw/zinc/57/78/62/488577862.db2.gz MISGIANJVFNEJT-SKDRFNHKSA-N 0 2 357.388 0.748 20 5 FCBDLN Cc1noc(C)c1S(=O)(=O)NCC(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000555078952 491237951 /nfs/dbraw/zinc/23/79/51/491237951.db2.gz DKZDNZAACGYHNJ-UHFFFAOYSA-N 0 2 370.343 0.822 20 5 FCBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000298065238 489284753 /nfs/dbraw/zinc/28/47/53/489284753.db2.gz IAQQBXDRYZPSDY-GFCCVEGCSA-N 0 2 369.399 0.245 20 5 FCBDLN CS(=O)(=O)Nc1nnc(NC(=O)CCn2cc([N+](=O)[O-])cn2)s1 ZINC000299133282 489409357 /nfs/dbraw/zinc/40/93/57/489409357.db2.gz OOTWAOFTFDPYGF-UHFFFAOYSA-N 0 2 361.365 0.043 20 5 FCBDLN COC(=O)CNC(=O)[C@@H]1CCCN1C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000416322072 489583061 /nfs/dbraw/zinc/58/30/61/489583061.db2.gz MEXQGJTYRSVYHT-NSHDSACASA-N 0 2 351.315 0.194 20 5 FCBDLN CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)C1=O ZINC000372711239 489627679 /nfs/dbraw/zinc/62/76/79/489627679.db2.gz BZRLNPNKQCMLRR-QFYYESIMSA-N 0 2 362.342 0.751 20 5 FCBDLN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000428076895 489637099 /nfs/dbraw/zinc/63/70/99/489637099.db2.gz KGPLUAQTHIARTA-IUCAKERBSA-N 0 2 353.331 0.487 20 5 FCBDLN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000428076896 489637318 /nfs/dbraw/zinc/63/73/18/489637318.db2.gz KGPLUAQTHIARTA-RKDXNWHRSA-N 0 2 353.331 0.487 20 5 FCBDLN O=C(NCC1([NH+]2CCOCC2)CCOCC1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000457985323 489665330 /nfs/dbraw/zinc/66/53/30/489665330.db2.gz SZZGCKNKFWJISI-UHFFFAOYSA-N 0 2 365.386 0.912 20 5 FCBDLN COc1cc(S(=O)(=O)Nc2nc3ncccn3n2)ccc1[N+](=O)[O-] ZINC000469228296 489696823 /nfs/dbraw/zinc/69/68/23/489696823.db2.gz MBJJWNBUSCJCLP-UHFFFAOYSA-N 0 2 350.316 0.842 20 5 FCBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ncc(C(N)=O)s1 ZINC000555951081 491285780 /nfs/dbraw/zinc/28/57/80/491285780.db2.gz WJLHGYSMNKBCNP-UHFFFAOYSA-N 0 2 358.357 0.960 20 5 FCBDLN CCOC(=O)c1cc(C(=O)NCCCc2n[nH]c(=O)[nH]2)cc([N+](=O)[O-])c1 ZINC000467465380 490294140 /nfs/dbraw/zinc/29/41/40/490294140.db2.gz HLJJYTIIDBDSSH-UHFFFAOYSA-N 0 2 363.330 0.958 20 5 FCBDLN CN(CC(=O)Nc1ccc(O)c([N+](=O)[O-])c1)S(=O)(=O)c1cccnc1 ZINC000483438889 490317234 /nfs/dbraw/zinc/31/72/34/490317234.db2.gz ZWAAOVVKAFFDRG-UHFFFAOYSA-N 0 2 366.355 0.955 20 5 FCBDLN Cc1cc(=O)n2[nH]c(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3F)nc2n1 ZINC000484437678 490428204 /nfs/dbraw/zinc/42/82/04/490428204.db2.gz AZXRRRJPHKFBGU-UHFFFAOYSA-N 0 2 368.306 0.574 20 5 FCBDLN CNC(=O)Cn1nc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1C ZINC000504280668 490793742 /nfs/dbraw/zinc/79/37/42/490793742.db2.gz SATIGTLRBZGWTJ-UHFFFAOYSA-N 0 2 353.360 0.647 20 5 FCBDLN CCOCc1nc([C@H](C)NS(=O)(=O)c2cccnc2[N+](=O)[O-])no1 ZINC000515479556 490827895 /nfs/dbraw/zinc/82/78/95/490827895.db2.gz UWNQXUYHYZBXSK-QMMMGPOBSA-N 0 2 357.348 0.949 20 5 FCBDLN CCOCc1nc([C@H](C)NS(=O)(=O)c2cn(CC)nc2[N+](=O)[O-])no1 ZINC000569395627 491659109 /nfs/dbraw/zinc/65/91/09/491659109.db2.gz CPOJSESFQCFRQO-QMMMGPOBSA-N 0 2 374.379 0.770 20 5 FCBDLN NS(=O)(=O)NC[C@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000597734821 492062360 /nfs/dbraw/zinc/06/23/60/492062360.db2.gz DQPQBJOKKCCWPJ-SNVBAGLBSA-N 0 2 358.376 0.088 20 5 FCBDLN O=[N+]([O-])c1cc2c(cc1S(=O)(=O)Nc1cnn(CCO)c1)OCCO2 ZINC000609117344 492197592 /nfs/dbraw/zinc/19/75/92/492197592.db2.gz KWBZTTFUGMBHPB-UHFFFAOYSA-N 0 2 370.343 0.356 20 5 FCBDLN COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc(C(N)=O)nc1 ZINC000619467798 492264330 /nfs/dbraw/zinc/26/43/30/492264330.db2.gz FSRADVYYDKMFEE-UHFFFAOYSA-N 0 2 352.328 0.898 20 5 FCBDLN COC(=O)Cn1cnc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)n1 ZINC000437327685 536386600 /nfs/dbraw/zinc/38/66/00/536386600.db2.gz WLROBTYXARUETI-UHFFFAOYSA-N 0 2 359.295 0.299 20 5 FCBDLN O=[N+]([O-])c1cccnc1S(=O)(=O)NCc1n[nH]c([C@H]2CCCO2)n1 ZINC000594794485 547011637 /nfs/dbraw/zinc/01/16/37/547011637.db2.gz LKIGBKWHHKXDLD-SECBINFHSA-N 0 2 354.348 0.438 20 5 FCBDLN CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000830706329 601295147 /nfs/dbraw/zinc/29/51/47/601295147.db2.gz IVGOAEWTSCKRIM-AWEZNQCLSA-N 0 2 367.358 0.058 20 5 FCBDLN Cc1cccc(Oc2c(-c3nn[nH]n3)c(=O)n(C)c(=O)n2C)c1[N+](=O)[O-] ZINC000826300354 607867083 /nfs/dbraw/zinc/86/70/83/607867083.db2.gz RQHYTELZOXXHTA-UHFFFAOYSA-N 0 2 359.302 0.273 20 5 FCBDLN Cn1cc(-c2nn[nH]n2)c(=O)n(Cc2cc([N+](=O)[O-])ccc2Cl)c1=O ZINC000826357110 608096913 /nfs/dbraw/zinc/09/69/13/608096913.db2.gz RHJGBSQQQQTUKK-UHFFFAOYSA-N 0 2 363.721 0.337 20 5 FCBDLN NC(=O)c1ccc(SCC(=O)NOC[C@H]2CCOC2)c([N+](=O)[O-])c1 ZINC000788115256 667951013 /nfs/dbraw/zinc/95/10/13/667951013.db2.gz HDIRLYWHULRWTE-VIFPVBQESA-N 0 2 355.372 0.870 20 5 FCBDLN COC(=O)Cn1cc(S(=O)(=O)Nc2ccc(N)c([N+](=O)[O-])c2)cn1 ZINC000742255883 668030688 /nfs/dbraw/zinc/03/06/88/668030688.db2.gz WWYFKVPUIYBVON-UHFFFAOYSA-N 0 2 355.332 0.347 20 5 FCBDLN N=C1NC(=O)[C@H](CC(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)S1 ZINC000742543562 668037375 /nfs/dbraw/zinc/03/73/75/668037375.db2.gz IDFJJCFCIHVIRX-LBPRGKRZSA-N 0 2 363.399 0.800 20 5 FCBDLN CNC(=O)Cn1cnc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)n1 ZINC000743049960 668043714 /nfs/dbraw/zinc/04/37/14/668043714.db2.gz LBOHOIWBYZXKPC-UHFFFAOYSA-N 0 2 374.766 0.387 20 5 FCBDLN CS(=O)(=O)CC[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000770488211 668197935 /nfs/dbraw/zinc/19/79/35/668197935.db2.gz IQATWHBGPJEOPS-UHFFFAOYSA-N 0 2 371.415 0.539 20 5 FCBDLN CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1nc(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cs1 ZINC000843790093 670854819 /nfs/dbraw/zinc/85/48/19/670854819.db2.gz AIJCFENKXCNNHE-ZYUZMQFOSA-N 0 2 369.359 0.053 20 5 FCBDLN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])c1nc(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cs1 ZINC000843790093 670854829 /nfs/dbraw/zinc/85/48/29/670854829.db2.gz AIJCFENKXCNNHE-ZYUZMQFOSA-N 0 2 369.359 0.053 20 5 FCBDLN O=C(c1cccc2nn[nH]c21)N1CCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 ZINC001019015279 1214179446 /nfs/dbraw/zinc/17/94/46/1214179446.db2.gz PSOQVQFVVVDQTH-DGCLKSJQSA-N 0 2 370.369 0.298 20 5 FCBDLN O=[N+]([O-])c1cc(F)c(S(=O)(=O)N[C@H](CO)c2c[nH]nn2)cc1Cl ZINC001578048865 1275340849 /nfs/dbraw/zinc/34/08/49/1275340849.db2.gz RGTGOCCLUBQGMM-MRVPVSSYSA-N 0 2 365.730 0.517 20 5 FCBDLN CC1(C)CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CCN1 ZINC001590105636 1283218947 /nfs/dbraw/zinc/21/89/47/1283218947.db2.gz FJNYJIYYYPNJRU-UHFFFAOYSA-N 0 2 367.391 0.147 20 5 FCBDLN CN(Cc1cnc[nH]1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[nH]n1 ZINC001591127128 1284200880 /nfs/dbraw/zinc/20/08/80/1284200880.db2.gz YYLCYIKOADUDSQ-UHFFFAOYSA-N 0 2 364.347 0.319 20 5 FCBDLN C[C@@H](Nc1c(-c2nn[nH]n2)c(=O)n(C)c(=O)n1C)c1ccc([N+](=O)[O-])cc1 ZINC001591729744 1284861588 /nfs/dbraw/zinc/86/15/88/1284861588.db2.gz IAJQDSZZOZTSTF-MRVPVSSYSA-N 0 2 372.345 0.345 20 5 FCBDLN O=c1c(-c2nn[nH]n2)cncn1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC001593494667 1286179259 /nfs/dbraw/zinc/17/92/59/1286179259.db2.gz OVABBFVWSWPKTR-UHFFFAOYSA-N 0 2 357.286 0.246 20 5 FCBDLN Cn1c[nH+]c(CCNS(=O)(=O)c2ccc(C(=O)[O-])c([N+](=O)[O-])c2)c1 ZINC001600988972 1286590734 /nfs/dbraw/zinc/59/07/34/1286590734.db2.gz QHOQWFYBGPESOY-UHFFFAOYSA-N 0 2 354.344 0.548 20 5 FCBDLN O=C([O-])[C@@H](Cn1cc[nH+]c1)NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC001601425952 1286745627 /nfs/dbraw/zinc/74/56/27/1286745627.db2.gz NYIVEWLDSRMRHQ-GFCCVEGCSA-N 0 2 370.325 0.860 20 5 FCBDLN O=C([O-])c1cc([N+](=O)[O-])ccc1S(=O)(=O)NCCCn1cc[nH+]c1 ZINC001602300747 1286988424 /nfs/dbraw/zinc/98/84/24/1286988424.db2.gz SYIAHQCGKCJLOR-UHFFFAOYSA-N 0 2 354.344 0.858 20 5 FCBDLN O=C([O-])c1ccc(S(=O)(=O)N2CC(n3cc[nH+]c3)C2)cc1[N+](=O)[O-] ZINC001602392881 1286994101 /nfs/dbraw/zinc/99/41/01/1286994101.db2.gz JGXHETYYSCALED-UHFFFAOYSA-N 0 2 352.328 0.735 20 5 FCBDLN CO[C@@]1(C(=O)[O-])CC[N@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC001606702594 1288456965 /nfs/dbraw/zinc/45/69/65/1288456965.db2.gz CRQHEZSMDJUVSA-HNNXBMFYSA-N 0 2 367.314 0.438 20 5 FCBDLN CO[C@@]1(C(=O)[O-])CC[N@@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC001606702594 1288456968 /nfs/dbraw/zinc/45/69/68/1288456968.db2.gz CRQHEZSMDJUVSA-HNNXBMFYSA-N 0 2 367.314 0.438 20 5 FCBDLN O=C([O-])c1cc(OS(=O)(=O)CCC[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC001608857493 1288875869 /nfs/dbraw/zinc/87/58/69/1288875869.db2.gz LHBDOHDNHQAZQT-UHFFFAOYSA-N 0 2 374.371 0.724 20 5 FCBDLN COC(=O)c1nc(Cl)nc(NCCNC(=O)C(F)(F)F)c1[N+](=O)[O-] ZINC001156199476 849893926 /nfs/dbraw/zinc/89/39/26/849893926.db2.gz JCGXZWUJUJWITI-UHFFFAOYSA-N 0 2 371.659 0.915 20 5 FCBDLN Cc1nn(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)c(=O)c(-c2nn[nH]n2)c1C ZINC000826334451 947970585 /nfs/dbraw/zinc/97/05/85/947970585.db2.gz VQKKINYNUJJRQM-GFCCVEGCSA-N 0 2 357.330 0.682 20 5 FCBDLN COc1ccc(NC(=O)C[N@@H+]2CC[C@@](OC)(C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC001599591319 993686707 /nfs/dbraw/zinc/68/67/07/993686707.db2.gz RLCPFTWXXSJVRX-HNNXBMFYSA-N 0 2 353.331 0.717 20 5 FCBDLN COc1ccc(NC(=O)C[N@H+]2CC[C@@](OC)(C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC001599591319 993686710 /nfs/dbraw/zinc/68/67/10/993686710.db2.gz RLCPFTWXXSJVRX-HNNXBMFYSA-N 0 2 353.331 0.717 20 5 FCBDLN O=c1nc(C2CCN(S(=O)(=O)c3c(F)cccc3[N+](=O)[O-])CC2)[nH][nH]1 ZINC000294780797 214264766 /nfs/dbraw/zinc/26/47/66/214264766.db2.gz ZVTPJVHUZMHEDK-UHFFFAOYSA-N 0 2 371.350 0.714 20 5 FCBDLN COC[C@@]1(C(=O)OC)CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000295478015 214298942 /nfs/dbraw/zinc/29/89/42/214298942.db2.gz DPCKBBXTZZLEMM-OAHLLOKOSA-N 0 2 355.322 0.968 20 5 FCBDLN COCC(COC)[NH+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])CC1 ZINC000412434447 237208033 /nfs/dbraw/zinc/20/80/33/237208033.db2.gz HRKVATIPBIEWMJ-UHFFFAOYSA-N 0 2 353.375 0.720 20 5 FCBDLN CCOC(=O)Cn1cnc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)n1 ZINC000424226122 247179879 /nfs/dbraw/zinc/17/98/79/247179879.db2.gz WRRSNPPGAZYYDJ-UHFFFAOYSA-N 0 2 373.322 0.689 20 5 FCBDLN NS(=O)(=O)c1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2O)cc1 ZINC000436946259 248055762 /nfs/dbraw/zinc/05/57/62/248055762.db2.gz OVRLUMDHOFTINJ-UHFFFAOYSA-N 0 2 351.340 0.878 20 5 FCBDLN O=c1[nH]nc(CNc2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])[nH]1 ZINC000301562624 488881703 /nfs/dbraw/zinc/88/17/03/488881703.db2.gz KSDWJLPDUJTUES-UHFFFAOYSA-N 0 2 367.265 0.912 20 5 FCBDLN COCCO[C@@H]1C[C@@H](CO)CN(C(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000278753537 488893759 /nfs/dbraw/zinc/89/37/59/488893759.db2.gz UMYTXHWDPAAOGI-DGCLKSJQSA-N 0 2 354.359 0.786 20 5 FCBDLN COCCCN(C(=O)c1cc([N+](=O)[O-])ccc1O)[C@H]1CCS(=O)(=O)C1 ZINC000272368971 488576118 /nfs/dbraw/zinc/57/61/18/488576118.db2.gz GRWXXWOPOQKQBT-LBPRGKRZSA-N 0 2 372.399 0.966 20 5 FCBDLN CN(C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2O)CC1)S(C)(=O)=O ZINC000272392905 488578083 /nfs/dbraw/zinc/57/80/83/488578083.db2.gz LQMRRNXWOYPXBC-UHFFFAOYSA-N 0 2 357.388 0.796 20 5 FCBDLN NS(=O)(=O)c1ccc(N2CCCC[C@H]2c2n[nH]c(=O)[nH]2)c([N+](=O)[O-])c1 ZINC000563424731 491243508 /nfs/dbraw/zinc/24/35/08/491243508.db2.gz MEPDNAPSHPNYHK-JTQLQIEISA-N 0 2 368.375 0.798 20 5 FCBDLN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000428076893 489637415 /nfs/dbraw/zinc/63/74/15/489637415.db2.gz KGPLUAQTHIARTA-BDAKNGLRSA-N 0 2 353.331 0.487 20 5 FCBDLN NC(=O)c1cccnc1N1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000490973636 489791439 /nfs/dbraw/zinc/79/14/39/489791439.db2.gz KCNWAOSJHBBZAF-UHFFFAOYSA-N 0 2 371.353 0.757 20 5 FCBDLN COc1cc(OCC(=O)NCCCc2n[nH]c(=O)[nH]2)ccc1[N+](=O)[O-] ZINC000480014341 490149856 /nfs/dbraw/zinc/14/98/56/490149856.db2.gz KLIZCLUSVSXYLV-UHFFFAOYSA-N 0 2 351.319 0.555 20 5 FCBDLN Cc1sc(S(=O)(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)[O-])cc1[N+](=O)[O-] ZINC000547871294 490370661 /nfs/dbraw/zinc/37/06/61/490370661.db2.gz QLZQHKVBJIFQNB-QMMMGPOBSA-N 0 2 360.373 0.662 20 5 FCBDLN Cc1sc(S(=O)(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)[O-])cc1[N+](=O)[O-] ZINC000547871294 490370670 /nfs/dbraw/zinc/37/06/70/490370670.db2.gz QLZQHKVBJIFQNB-QMMMGPOBSA-N 0 2 360.373 0.662 20 5 FCBDLN CCn1cc(S(=O)(=O)N2CCC[C@H](c3n[nH]c(=O)[nH]3)C2)c([N+](=O)[O-])n1 ZINC000549848720 490610366 /nfs/dbraw/zinc/61/03/66/490610366.db2.gz UDEJZVDWWHVIMG-QMMMGPOBSA-N 0 2 371.379 0.203 20 5 FCBDLN NS(=O)(=O)c1cccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2O)c1 ZINC000514920794 490798249 /nfs/dbraw/zinc/79/82/49/490798249.db2.gz JXVKNDBXTGPNIN-UHFFFAOYSA-N 0 2 373.368 0.749 20 5 FCBDLN Cn1cc[nH+]c1[C@@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])C(C)(C)CO ZINC000572618418 491382048 /nfs/dbraw/zinc/38/20/48/491382048.db2.gz XXMKHDPITBGYOD-LLVKDONJSA-N 0 2 369.403 0.761 20 5 FCBDLN O=C([O-])c1cc(S(=O)(=O)N[C@H]2CCn3cc[nH+]c3C2)ccc1[N+](=O)[O-] ZINC000566317465 491435355 /nfs/dbraw/zinc/43/53/55/491435355.db2.gz PCXIJNAGOVRSEG-VIFPVBQESA-N 0 2 366.355 0.783 20 5 FCBDLN CCOCc1nc([C@@H](C)NS(=O)(=O)c2cn(CC)nc2[N+](=O)[O-])no1 ZINC000569395626 491659337 /nfs/dbraw/zinc/65/93/37/491659337.db2.gz CPOJSESFQCFRQO-MRVPVSSYSA-N 0 2 374.379 0.770 20 5 FCBDLN CCOC(=O)c1c[nH]ccc1=NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000600668690 491874653 /nfs/dbraw/zinc/87/46/53/491874653.db2.gz OTYXRYOCZSEKKU-UHFFFAOYSA-N 0 2 355.332 0.123 20 5 FCBDLN Cc1nc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)c(C(=O)NCCO)n1C ZINC000617886590 492201676 /nfs/dbraw/zinc/20/16/76/492201676.db2.gz UJUCZCCKUKEHFS-UHFFFAOYSA-N 0 2 363.330 0.317 20 5 FCBDLN COC(=O)[C@@H]1CC[C@@H](C(=O)OC)N(C(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000600335556 492262386 /nfs/dbraw/zinc/26/23/86/492262386.db2.gz YXNKCBBUINRVIX-SKDRFNHKSA-N 0 2 366.326 0.867 20 5 FCBDLN COC(=O)Cn1cnc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)n1 ZINC000437326536 536386732 /nfs/dbraw/zinc/38/67/32/536386732.db2.gz UCJFEADUFHAOJH-UHFFFAOYSA-N 0 2 355.332 0.469 20 5 FCBDLN O=C(c1cc(Cl)cc([N+](=O)[O-])c1[O-])N(CCO)CC[NH+]1CCOCC1 ZINC000592777532 546957513 /nfs/dbraw/zinc/95/75/13/546957513.db2.gz SUNQRWJXYAIZEK-UHFFFAOYSA-N 0 2 373.793 0.721 20 5 FCBDLN COCc1nc(CNS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])n[nH]1 ZINC000594826430 547014567 /nfs/dbraw/zinc/01/45/67/547014567.db2.gz ACFKCCHAVCQHSJ-UHFFFAOYSA-N 0 2 361.767 0.991 20 5 FCBDLN COCc1n[nH]c(CNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])n1 ZINC000594828670 547015324 /nfs/dbraw/zinc/01/53/24/547015324.db2.gz UPLXLMARFZEYNE-UHFFFAOYSA-N 0 2 361.767 0.991 20 5 FCBDLN COCc1nc(CNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])n[nH]1 ZINC000594828670 547015330 /nfs/dbraw/zinc/01/53/30/547015330.db2.gz UPLXLMARFZEYNE-UHFFFAOYSA-N 0 2 361.767 0.991 20 5 FCBDLN COCc1nnc(CNS(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)[nH]1 ZINC000594826486 547015515 /nfs/dbraw/zinc/01/55/15/547015515.db2.gz BCNRZEQGFNDRAE-UHFFFAOYSA-N 0 2 355.376 0.955 20 5 FCBDLN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000552222021 547324819 /nfs/dbraw/zinc/32/48/19/547324819.db2.gz GDAIBIICOOYENZ-DTWKUNHWSA-N 0 2 353.331 0.487 20 5 FCBDLN O=C([O-])C1(O)CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC000262103442 604747966 /nfs/dbraw/zinc/74/79/66/604747966.db2.gz NFQQPWWPRQJAFT-UHFFFAOYSA-N 0 2 360.326 0.832 20 5 FCBDLN O=C(NCC1CN(C(=O)c2cc(C(F)(F)F)[nH]n2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001001806895 667503824 /nfs/dbraw/zinc/50/38/24/667503824.db2.gz NUTQKVMHXWOYRS-VXNVDRBHSA-N 0 2 361.280 0.282 20 5 FCBDLN Cc1cc(F)c(S(=O)(=O)Nc2cnn(CC(N)=O)c2)cc1[N+](=O)[O-] ZINC000742028742 668025047 /nfs/dbraw/zinc/02/50/47/668025047.db2.gz DJLBYXWRXQOIMU-UHFFFAOYSA-N 0 2 357.323 0.525 20 5 FCBDLN COC[C@H](C)S(=O)(=O)[N-]C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000835162497 669988099 /nfs/dbraw/zinc/98/80/99/669988099.db2.gz UGIVMDOAWSMTHZ-JTQLQIEISA-N 0 2 368.371 0.875 20 5 FCBDLN CCOC(=O)Cn1cnc(NS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])n1 ZINC000818285090 670093437 /nfs/dbraw/zinc/09/34/37/670093437.db2.gz CAYSPAHWVDTQJJ-UHFFFAOYSA-N 0 2 373.322 0.689 20 5 FCBDLN CCCCNC(=O)CN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000771914315 1200680225 /nfs/dbraw/zinc/68/02/25/1200680225.db2.gz PMWYRRJMOXGHNO-UHFFFAOYSA-N 0 2 364.402 0.975 20 5 FCBDLN CC(C)(C)c1nc(CN2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n[nH]1 ZINC001017543951 1214114039 /nfs/dbraw/zinc/11/40/39/1214114039.db2.gz JAHZBKRLJXMKLW-YVECIDJPSA-N 0 2 362.434 0.943 20 5 FCBDLN CCC1(NC(=O)CCc2cnn[nH]2)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001069367884 1216785869 /nfs/dbraw/zinc/78/58/69/1216785869.db2.gz GKDAWVJHGJTXPB-CHWSQXEVSA-N 0 2 364.406 0.290 20 5 FCBDLN O=c1nc2c(=O)[nH]c(=O)[nH]c2c(O[C@H]2Cc3ccc([N+](=O)[O-])cc3C2)[nH]1 ZINC001226887419 1225857280 /nfs/dbraw/zinc/85/72/80/1225857280.db2.gz GGHUUEVTBBQKHF-VIFPVBQESA-N 0 2 357.282 0.991 20 5 FCBDLN Cc1ccc2[nH]nc(C(=O)N[C@@H]3[C@H]4CN(C(=O)[C@@H]5C[C@H]5[N+](=O)[O-])C[C@H]43)c2c1 ZINC000976811425 1248409271 /nfs/dbraw/zinc/40/92/71/1248409271.db2.gz WCUGJIHZIBJAIG-AMVBZWJASA-N 0 2 369.381 0.723 20 5 FCBDLN O=C(Cn1c(=O)[nH]cc(-c2nn[nH]n2)c1=O)c1ccc([N+](=O)[O-])cc1F ZINC001592935118 1285822591 /nfs/dbraw/zinc/82/25/91/1285822591.db2.gz WVRLPNWKMZRBBS-UHFFFAOYSA-N 0 2 361.249 0.059 20 5 FCBDLN CCOC(=O)c1[n-]c(=O)nc(O[C@H](C)C[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC001226018774 857079004 /nfs/dbraw/zinc/07/90/04/857079004.db2.gz RRSFUTISIQQOIW-SECBINFHSA-N 0 2 356.335 0.367 20 5 FCBDLN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1C[C@H](O)C[C@@H](C(=O)[O-])C1 ZINC001599622517 994103736 /nfs/dbraw/zinc/10/37/36/994103736.db2.gz QYWIZMPEUSAKAU-HOSYDEDBSA-N 0 2 367.358 0.698 20 5 FCBDLN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1C[C@H](O)C[C@@H](C(=O)[O-])C1 ZINC001599622517 994103737 /nfs/dbraw/zinc/10/37/37/994103737.db2.gz QYWIZMPEUSAKAU-HOSYDEDBSA-N 0 2 367.358 0.698 20 5 FCBDLN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2COC[C@H]2O)c(C(F)(F)F)c1 ZINC000295460632 214298487 /nfs/dbraw/zinc/29/84/87/214298487.db2.gz YDWANIDQJVNQHU-RKDXNWHRSA-N 0 2 356.278 0.652 20 5 FCBDLN Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CCOC[C@H](O)C1 ZINC000295432637 214295885 /nfs/dbraw/zinc/29/58/85/214295885.db2.gz XTJMCOPCMDRUAE-SECBINFHSA-N 0 2 350.780 0.938 20 5 FCBDLN Cc1c(C(=O)N2C[C@@H](C)O[C@@H](C)C2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000265400024 210122633 /nfs/dbraw/zinc/12/26/33/210122633.db2.gz IDSYQPWBSRAEFV-DTORHVGOSA-N 0 2 357.388 0.800 20 5 FCBDLN COCC(COC)[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000413880276 237393516 /nfs/dbraw/zinc/39/35/16/237393516.db2.gz OJROOBKVNWWEPZ-UHFFFAOYSA-N 0 2 353.375 0.720 20 5 FCBDLN Cn1cc([C@H]2C[S@@](=O)CCN2C(=O)c2ccc([N+](=O)[O-])c(O)c2)cn1 ZINC000277695389 212389412 /nfs/dbraw/zinc/38/94/12/212389412.db2.gz RBIYJAQGMYGLFD-SHZVTRLKSA-N 0 2 364.383 0.980 20 5 FCBDLN CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000376121749 217358431 /nfs/dbraw/zinc/35/84/31/217358431.db2.gz ANKHIKXURKOWMX-LLVKDONJSA-N 0 2 357.388 0.843 20 5 FCBDLN COC(=O)[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2O)[C@@H]1C(=O)OC ZINC000436956616 248054807 /nfs/dbraw/zinc/05/48/07/248054807.db2.gz NYQZFGFESDZXOL-MFKMUULPSA-N 0 2 366.326 0.867 20 5 FCBDLN CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)C(=O)N1CCOCC1 ZINC000436985486 248057440 /nfs/dbraw/zinc/05/74/40/248057440.db2.gz DFYLWEOYSSBVGS-AWEZNQCLSA-N 0 2 351.359 0.914 20 5 FCBDLN O=C(CSCC(=O)N1CCOCC1)Nc1cc([N+](=O)[O-])ccc1O ZINC000270437843 211201546 /nfs/dbraw/zinc/20/15/46/211201546.db2.gz YMZAMETWKOUCCC-UHFFFAOYSA-N 0 2 355.372 0.831 20 5 FCBDLN CN(C)C(=O)Cn1cnc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)n1 ZINC000266322611 210321831 /nfs/dbraw/zinc/32/18/31/210321831.db2.gz HXCKGOHVFFDVOM-UHFFFAOYSA-N 0 2 372.338 0.214 20 5 FCBDLN COCCO[C@@H]1C[C@H](CO)CN(C(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000278753539 488893656 /nfs/dbraw/zinc/89/36/56/488893656.db2.gz UMYTXHWDPAAOGI-WCQYABFASA-N 0 2 354.359 0.786 20 5 FCBDLN Cc1cc(N2CC[C@H](NC(=O)c3cc([N+](=O)[O-])ccc3O)C2=O)n(C)n1 ZINC000272357164 488575488 /nfs/dbraw/zinc/57/54/88/488575488.db2.gz DROTUEHZCQIAIM-LBPRGKRZSA-N 0 2 359.342 0.878 20 5 FCBDLN O=C(CN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1)N1CCCC1 ZINC000273318602 488643828 /nfs/dbraw/zinc/64/38/28/488643828.db2.gz YUCZRHBJYZBHGG-UHFFFAOYSA-N 0 2 362.386 0.681 20 5 FCBDLN NC(=O)c1ncn(C2CCN(C(=O)c3ccc([N+](=O)[O-])cc3O)CC2)c1N ZINC000283167579 489222220 /nfs/dbraw/zinc/22/22/20/489222220.db2.gz GPCTVOVZJATCGP-UHFFFAOYSA-N 0 2 374.357 0.655 20 5 FCBDLN O=C(N[C@@H]1CCCN(S(=O)(=O)C2CC2)C1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000286458529 489393145 /nfs/dbraw/zinc/39/31/45/489393145.db2.gz HZESBFRPNZAVBN-LLVKDONJSA-N 0 2 369.399 0.987 20 5 FCBDLN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCCCc1n[nH]c(=O)[nH]1 ZINC000488973556 489689120 /nfs/dbraw/zinc/68/91/20/489689120.db2.gz IGFFPTHQPXQQPP-VIFPVBQESA-N 0 2 366.382 0.400 20 5 FCBDLN C[C@@]1(C2CCN(C(=O)c3ccc([N+](=O)[O-])c(O)c3)CC2)NC(=O)NC1=O ZINC000377976169 489990570 /nfs/dbraw/zinc/99/05/70/489990570.db2.gz IAGJXBIHAOEOGL-INIZCTEOSA-N 0 2 362.342 0.751 20 5 FCBDLN Cc1nc(NS(=O)(=O)c2cccc(S(N)(=O)=O)c2)ccc1[N+](=O)[O-] ZINC000463468240 490019194 /nfs/dbraw/zinc/01/91/94/490019194.db2.gz ADCDAHOBCHODDA-UHFFFAOYSA-N 0 2 372.384 0.746 20 5 FCBDLN CNC(=O)Cn1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)cn1 ZINC000515630311 490833892 /nfs/dbraw/zinc/83/38/92/490833892.db2.gz YGUDLGFUCPVVOT-UHFFFAOYSA-N 0 2 369.359 0.347 20 5 FCBDLN CCS(=O)(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)[C@H](C)C1 ZINC000558018081 491409181 /nfs/dbraw/zinc/40/91/81/491409181.db2.gz PIGZKHGXOKAAKM-SNVBAGLBSA-N 0 2 357.388 0.796 20 5 FCBDLN O=C(NCCC[N@@H+]1CCNC(=O)C1)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000567960183 491543828 /nfs/dbraw/zinc/54/38/28/491543828.db2.gz XDKYJSGHCFNNBZ-UHFFFAOYSA-N 0 2 356.766 0.506 20 5 FCBDLN O=C(NCCC[N@H+]1CCNC(=O)C1)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000567960183 491543829 /nfs/dbraw/zinc/54/38/29/491543829.db2.gz XDKYJSGHCFNNBZ-UHFFFAOYSA-N 0 2 356.766 0.506 20 5 FCBDLN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)[C@H]1CCCS1(=O)=O ZINC000576529142 491622805 /nfs/dbraw/zinc/62/28/05/491622805.db2.gz LTYQKVQVNLEECP-SNVBAGLBSA-N 0 2 351.344 0.896 20 5 FCBDLN O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000584597985 491709057 /nfs/dbraw/zinc/70/90/57/491709057.db2.gz APJFPSLHFNSARD-UHFFFAOYSA-N 0 2 360.330 0.763 20 5 FCBDLN COc1ccc(OCC[NH+]2CCN(C(=O)C(=O)[O-])CC2)c([N+](=O)[O-])c1 ZINC000581313859 491768420 /nfs/dbraw/zinc/76/84/20/491768420.db2.gz UOENTUGDKOMVRK-UHFFFAOYSA-N 0 2 353.331 0.211 20 5 FCBDLN COC(=O)c1cc(NS(=O)(=O)c2cnnn2C)c(C)c([N+](=O)[O-])c1 ZINC000600654655 491871997 /nfs/dbraw/zinc/87/19/97/491871997.db2.gz CHHRWDVGZPWBTG-UHFFFAOYSA-N 0 2 355.332 0.619 20 5 FCBDLN Cc1noc(CS(=O)(=O)c2nc3nc(C)cc(C)n3n2)c1[N+](=O)[O-] ZINC000596022497 491971965 /nfs/dbraw/zinc/97/19/65/491971965.db2.gz KDIWNHLCEAGTGG-UHFFFAOYSA-N 0 2 352.332 0.920 20 5 FCBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1nc2ncccn2n1 ZINC000609227579 492200620 /nfs/dbraw/zinc/20/06/20/492200620.db2.gz FUDPHFANSKQLFE-UHFFFAOYSA-N 0 2 350.316 0.842 20 5 FCBDLN Cc1[nH]nc(C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)c1O ZINC000610987136 492273681 /nfs/dbraw/zinc/27/36/81/492273681.db2.gz MENLBSLJACUCGB-UHFFFAOYSA-N 0 2 359.342 0.930 20 5 FCBDLN CC[NH+]1CCN(S(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2C)CC1 ZINC000546263674 546888330 /nfs/dbraw/zinc/88/83/30/546888330.db2.gz CODPXWGXVWMDCU-UHFFFAOYSA-N 0 2 357.388 0.928 20 5 FCBDLN COCc1nnc(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)[nH]1 ZINC000594826523 547015094 /nfs/dbraw/zinc/01/50/94/547015094.db2.gz CECFYNOWOHVWPP-UHFFFAOYSA-N 0 2 357.348 0.346 20 5 FCBDLN COCc1nnc(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2OC)[nH]1 ZINC000594826536 547015201 /nfs/dbraw/zinc/01/52/01/547015201.db2.gz CMEWKWOVDVMHSB-UHFFFAOYSA-N 0 2 357.348 0.346 20 5 FCBDLN O=C([O-])CNC(=O)CC[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000739805940 600291039 /nfs/dbraw/zinc/29/10/39/600291039.db2.gz LKJQVGSGJFHBEH-UHFFFAOYSA-N 0 2 370.387 0.005 20 5 FCBDLN N=C1NC(=O)[C@H](CC(=O)N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)S1 ZINC000742688317 668040821 /nfs/dbraw/zinc/04/08/21/668040821.db2.gz WEZACYPCQKYGAG-SCZZXKLOSA-N 0 2 364.387 0.559 20 5 FCBDLN CS(=O)(=O)CCN1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000772945948 668338177 /nfs/dbraw/zinc/33/81/77/668338177.db2.gz DUJNPPOHPVZBRW-UHFFFAOYSA-N 0 2 371.415 0.539 20 5 FCBDLN O=C([N-]S(=O)(=O)N1CCCC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000835098764 669984556 /nfs/dbraw/zinc/98/45/56/669984556.db2.gz RWBWJVKLCIUMNW-UHFFFAOYSA-N 0 2 365.371 0.851 20 5 FCBDLN COCCOC(=O)c1c(C)c(C(N)=O)sc1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000841019944 670532263 /nfs/dbraw/zinc/53/22/63/670532263.db2.gz PDFAKRVYNJSUGN-HTQZYQBOSA-N 0 2 371.371 0.562 20 5 FCBDLN CC(C)(C)OC(=O)NC[C@H](O)CNC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000854713790 671596618 /nfs/dbraw/zinc/59/66/18/671596618.db2.gz SAIDAUZTGBTXNI-SNVBAGLBSA-N 0 2 355.347 0.916 20 5 FCBDLN Cn1ccc(-c2cc(C(=O)N3CC(NC(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C3)n[nH]2)c1 ZINC000991293348 1195870322 /nfs/dbraw/zinc/87/03/22/1195870322.db2.gz FNXJTYBOPNMAOR-BXUZGUMPSA-N 0 2 358.358 0.021 20 5 FCBDLN Cc1cc(=O)c(C(=O)OCc2n[nH]c(=O)[nH]2)nn1-c1ccccc1[N+](=O)[O-] ZINC000774895000 1206482091 /nfs/dbraw/zinc/48/20/91/1206482091.db2.gz CNMMTBFFYCOSFJ-UHFFFAOYSA-N 0 2 372.297 0.630 20 5 FCBDLN Cc1ccc2n[nH]c(C(=O)N3CC(N(C)C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C3)c2c1 ZINC000954240843 1213051116 /nfs/dbraw/zinc/05/11/16/1213051116.db2.gz YIJOXKKTRFTVDA-TZMCWYRMSA-N 0 2 357.370 0.819 20 5 FCBDLN O=C(c1ccc2[nH]nnc2c1)N1CCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 ZINC001019014357 1214178973 /nfs/dbraw/zinc/17/89/73/1214178973.db2.gz ZHANGECNHXZVKX-BXUZGUMPSA-N 0 2 370.369 0.298 20 5 FCBDLN Cc1nn[nH]c1C(=O)N1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC[C@@H]2C1 ZINC000967349832 1215232966 /nfs/dbraw/zinc/23/29/66/1215232966.db2.gz SXBPFCCDOSCZCX-YVECIDJPSA-N 0 2 362.390 0.089 20 5 FCBDLN CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CN(C(=O)c2cccc3n[nH]cc32)C1 ZINC000967945035 1215265650 /nfs/dbraw/zinc/26/56/50/1215265650.db2.gz DDSKOKIYXWDXIB-IUODEOHRSA-N 0 2 357.370 0.901 20 5 FCBDLN O=C(NCCN(Cc1ccccc1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1ncn[nH]1 ZINC001055072579 1218989233 /nfs/dbraw/zinc/98/92/33/1218989233.db2.gz TWQXJYCEFQIASC-CHWSQXEVSA-N 0 2 358.358 0.229 20 5 FCBDLN O=C(NCCN(Cc1ccccc1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1nc[nH]n1 ZINC001055072579 1218989242 /nfs/dbraw/zinc/98/92/42/1218989242.db2.gz TWQXJYCEFQIASC-CHWSQXEVSA-N 0 2 358.358 0.229 20 5 FCBDLN Nc1nc2nc(C[NH+]3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cc(=O)n2[n-]1 ZINC000920257058 1245617760 /nfs/dbraw/zinc/61/77/60/1245617760.db2.gz CPAHQGZIGOHSQK-UHFFFAOYSA-N 0 2 370.373 0.230 20 5 FCBDLN COc1cc([N+](=O)[O-])ccc1Cn1c(=O)c(-c2nn[nH]n2)c(C)n(C)c1=O ZINC001579937139 1277971090 /nfs/dbraw/zinc/97/10/90/1277971090.db2.gz FBKPTIIJPVOEAO-UHFFFAOYSA-N 0 2 373.329 0.001 20 5 FCBDLN C[C@H](Nc1[nH]c(=O)n(C)c(=O)c1-c1nn[nH]n1)c1cccc([N+](=O)[O-])c1 ZINC001589978258 1283154225 /nfs/dbraw/zinc/15/42/25/1283154225.db2.gz KODCZLBEKKMQIN-ZETCQYMHSA-N 0 2 358.318 0.747 20 5 FCBDLN C[C@@H](Nc1[nH]c(=O)n(C)c(=O)c1-c1nn[nH]n1)c1ccc([N+](=O)[O-])cc1 ZINC001591729727 1284863522 /nfs/dbraw/zinc/86/35/22/1284863522.db2.gz GYRWJOGGEDSNAC-SSDOTTSWSA-N 0 2 358.318 0.747 20 5 FCBDLN Cc1c(-c2nn[nH]n2)c(=O)n(Cc2ccc(F)cc2[N+](=O)[O-])c(=O)n1C ZINC001591795205 1284911378 /nfs/dbraw/zinc/91/13/78/1284911378.db2.gz JSQPXHOFEYAAHJ-UHFFFAOYSA-N 0 2 361.293 0.131 20 5 FCBDLN Cc1c(Cn2c(=O)c(-c3nn[nH]n3)c(C)n(C)c2=O)cccc1[N+](=O)[O-] ZINC001591821588 1284927854 /nfs/dbraw/zinc/92/78/54/1284927854.db2.gz LFDJGCDLISNTCC-UHFFFAOYSA-N 0 2 357.330 0.300 20 5 FCBDLN O=C(NCc1cncc(-c2nn[nH]n2)c1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC001593148621 1286020614 /nfs/dbraw/zinc/02/06/14/1286020614.db2.gz REOMRUGTVOELGL-UHFFFAOYSA-N 0 2 365.313 0.976 20 5 FCBDLN O=C([O-])c1cn([C@@H]2CC[N@H+](CC(=O)Nc3ccccc3[N+](=O)[O-])C2)nn1 ZINC001601308566 1286719912 /nfs/dbraw/zinc/71/99/12/1286719912.db2.gz VOGSDIDIHLCZOC-SNVBAGLBSA-N 0 2 360.330 0.770 20 5 FCBDLN O=C([O-])c1cn([C@@H]2CC[N@@H+](CC(=O)Nc3ccccc3[N+](=O)[O-])C2)nn1 ZINC001601308566 1286719915 /nfs/dbraw/zinc/71/99/15/1286719915.db2.gz VOGSDIDIHLCZOC-SNVBAGLBSA-N 0 2 360.330 0.770 20 5 FCBDLN O=C([O-])[C@H](Cn1cc[nH+]c1)NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC001601425953 1286745475 /nfs/dbraw/zinc/74/54/75/1286745475.db2.gz NYIVEWLDSRMRHQ-LBPRGKRZSA-N 0 2 370.325 0.860 20 5 FCBDLN CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001605494856 1287980691 /nfs/dbraw/zinc/98/06/91/1287980691.db2.gz IVVWFULHFGICQL-RFAUZJTJSA-N 0 2 352.347 0.718 20 5 FCBDLN CO[C@]1(C(=O)[O-])CC[N@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC001606702597 1288456043 /nfs/dbraw/zinc/45/60/43/1288456043.db2.gz CRQHEZSMDJUVSA-OAHLLOKOSA-N 0 2 367.314 0.438 20 5 FCBDLN CO[C@]1(C(=O)[O-])CC[N@@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC001606702597 1288456051 /nfs/dbraw/zinc/45/60/51/1288456051.db2.gz CRQHEZSMDJUVSA-OAHLLOKOSA-N 0 2 367.314 0.438 20 5 FCBDLN O=C([O-])[C@@H]1C[C@@H](O)C[N@@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC001610662819 1289546617 /nfs/dbraw/zinc/54/66/17/1289546617.db2.gz YSWPESCWLWAXED-PSASIEDQSA-N 0 2 357.750 0.954 20 5 FCBDLN O=C([O-])[C@@H]1C[C@@H](O)C[N@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC001610662819 1289546619 /nfs/dbraw/zinc/54/66/19/1289546619.db2.gz YSWPESCWLWAXED-PSASIEDQSA-N 0 2 357.750 0.954 20 5 FCBDLN O=C([O-])[C@@H]1[C@@H](O)CCCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC001610733879 1289570808 /nfs/dbraw/zinc/57/08/08/1289570808.db2.gz XFKMETBHDGCJCH-KBPBESRZSA-N 0 2 360.326 0.831 20 5 FCBDLN O=[N+]([O-])c1ccc(CO[C@@H](C[NH+]2CCOCC2)CS(=O)(=O)[O-])cn1 ZINC001224109057 856960204 /nfs/dbraw/zinc/96/02/04/856960204.db2.gz MULHEJVYSFVGMY-LBPRGKRZSA-N 0 2 361.376 0.095 20 5 FCBDLN CSc1nc(OC[C@H]2OC(=O)[C@@H]3OC(C)(C)O[C@H]23)c([N+](=O)[O-])c(=O)[nH]1 ZINC001227629091 857167992 /nfs/dbraw/zinc/16/79/92/857167992.db2.gz SOGCZQAMOSAPTN-LPBLVHEISA-N 0 2 373.343 0.637 20 5 FCBDLN Cc1ccc(S(=O)(=O)N2CC[NH+](CCC(=O)[O-])CC2)c(C)c1[N+](=O)[O-] ZINC001261761682 858659046 /nfs/dbraw/zinc/65/90/46/858659046.db2.gz TYHAAANGGMDFRN-UHFFFAOYSA-N 0 2 371.415 0.993 20 5 FCBDLN CN(CCS(C)(=O)=O)c1nnc(-c2ccc(O)c([N+](=O)[O-])c2)n1C ZINC001344871656 871074346 /nfs/dbraw/zinc/07/43/46/871074346.db2.gz XEHBSRPNELHHEQ-UHFFFAOYSA-N 0 2 355.376 0.577 20 5 FCBDLN Cc1noc(C[NH+]2CCC(N3C[C@@H](C(=O)[O-])CC3=O)CC2)c1[N+](=O)[O-] ZINC001605450037 973536309 /nfs/dbraw/zinc/53/63/09/973536309.db2.gz ZZACGWUXVUQRJG-JTQLQIEISA-N 0 2 352.347 0.789 20 5 FCBDLN COc1ccc(NC(=O)[C@H](C)[N@@H+]2C[C@@H](O)C[C@H](C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC001599591028 993682710 /nfs/dbraw/zinc/68/27/10/993682710.db2.gz UAMYOYGKSINDBZ-DCAQKATOSA-N 0 2 367.358 0.698 20 5 FCBDLN COc1ccc(NC(=O)[C@H](C)[N@H+]2C[C@@H](O)C[C@H](C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC001599591028 993682719 /nfs/dbraw/zinc/68/27/19/993682719.db2.gz UAMYOYGKSINDBZ-DCAQKATOSA-N 0 2 367.358 0.698 20 5 FCBDLN COC(=O)[C@@H]1C[N@H+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C[C@H]1C(=O)[O-] ZINC001598821662 996334986 /nfs/dbraw/zinc/33/49/86/996334986.db2.gz LOTUEWXURRMYTK-GHMZBOCLSA-N 0 2 365.342 0.647 20 5 FCBDLN COC(=O)[C@@H]1C[N@@H+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C[C@H]1C(=O)[O-] ZINC001598821662 996334991 /nfs/dbraw/zinc/33/49/91/996334991.db2.gz LOTUEWXURRMYTK-GHMZBOCLSA-N 0 2 365.342 0.647 20 5 FCBDLN C[C@H]1CN(C(=O)CCC(C)(C)[N+](=O)[O-])CCN1c1nccn2cnnc12 ZINC000295423770 214296396 /nfs/dbraw/zinc/29/63/96/214296396.db2.gz MCBLZTWFMOBGLY-LBPRGKRZSA-N 0 2 361.406 0.997 20 5 FCBDLN COC[C@]1(C(=O)OC)CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000295478011 214299038 /nfs/dbraw/zinc/29/90/38/214299038.db2.gz DPCKBBXTZZLEMM-HNNXBMFYSA-N 0 2 355.322 0.968 20 5 FCBDLN COCCNC(=O)Cn1cc(NC(=O)c2cccc(O)c2[N+](=O)[O-])cn1 ZINC000281059300 212692836 /nfs/dbraw/zinc/69/28/36/212692836.db2.gz YMNGVFIGHRHDEZ-UHFFFAOYSA-N 0 2 363.330 0.512 20 5 FCBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC000279526071 212560952 /nfs/dbraw/zinc/56/09/52/212560952.db2.gz PVFKOMRYZDIKKE-LBPRGKRZSA-N 0 2 369.399 0.941 20 5 FCBDLN Cn1cc([C@@H]2C[S@@](=O)CCN2C(=O)c2ccc([N+](=O)[O-])c(O)c2)cn1 ZINC000277695383 212389452 /nfs/dbraw/zinc/38/94/52/212389452.db2.gz RBIYJAQGMYGLFD-CANCMXDXSA-N 0 2 364.383 0.980 20 5 FCBDLN CNC(=O)Cn1cnc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)n1 ZINC000276881141 212302809 /nfs/dbraw/zinc/30/28/09/212302809.db2.gz IUWWOCQQJCYDQH-UHFFFAOYSA-N 0 2 368.375 0.350 20 5 FCBDLN Cc1c(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2NCCO)cnn1C ZINC000427107485 247500678 /nfs/dbraw/zinc/50/06/78/247500678.db2.gz KNNADEKYCXNVGC-UHFFFAOYSA-N 0 2 355.376 0.842 20 5 FCBDLN O=C([O-])Cn1cc(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)nn1 ZINC000439698690 248139194 /nfs/dbraw/zinc/13/91/94/248139194.db2.gz YRARBRWOBPGXLL-UHFFFAOYSA-N 0 2 371.313 0.387 20 5 FCBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000271287603 211371919 /nfs/dbraw/zinc/37/19/19/211371919.db2.gz PMNOBRVJMGQUDD-LBPRGKRZSA-N 0 2 369.399 0.245 20 5 FCBDLN CNC(=O)Cn1cc(NS(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])cn1 ZINC000268746007 210858436 /nfs/dbraw/zinc/85/84/36/210858436.db2.gz ARUWFBZPFZVDGU-UHFFFAOYSA-N 0 2 367.387 0.955 20 5 FCBDLN Cn1ccc(N2CCC[C@H](NC(=O)c3ccc([N+](=O)[O-])c(O)c3)C2=O)n1 ZINC000266461014 210339209 /nfs/dbraw/zinc/33/92/09/210339209.db2.gz GQVNNMRGYKXMFJ-NSHDSACASA-N 0 2 359.342 0.959 20 5 FCBDLN CN(C)C(=O)Cn1cnc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])n1 ZINC000266369907 210328211 /nfs/dbraw/zinc/32/82/11/210328211.db2.gz UZWRBBFVIMLYAM-UHFFFAOYSA-N 0 2 354.348 0.075 20 5 FCBDLN CC[C@@]1(C)NC(=O)N(NC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)C1=O ZINC000278539753 488880638 /nfs/dbraw/zinc/88/06/38/488880638.db2.gz AEFGAGMDBDWFQE-CYBMUJFWSA-N 0 2 364.343 0.965 20 5 FCBDLN O=C(N[C@@H]1CCO[C@]2(CCS(=O)(=O)C2)C1)c1cc([N+](=O)[O-])ccc1O ZINC000272360007 488575816 /nfs/dbraw/zinc/57/58/16/488575816.db2.gz FAXLKKYQBYSETG-MEBBXXQBSA-N 0 2 370.383 0.767 20 5 FCBDLN CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000272401427 488578510 /nfs/dbraw/zinc/57/85/10/488578510.db2.gz XGBVESMCOTXBFR-NSHDSACASA-N 0 2 357.388 0.844 20 5 FCBDLN O=C(c1c[nH]c2nc(=O)[nH]c(=O)c-2c1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000130319630 488636985 /nfs/dbraw/zinc/63/69/85/488636985.db2.gz CCZZUDPVVHNQCC-UHFFFAOYSA-N 0 2 367.321 0.718 20 5 FCBDLN Cc1cc(N2CC[C@H](NC(=O)c3ccc([N+](=O)[O-])cc3O)C2=O)n(C)n1 ZINC000274641567 488724418 /nfs/dbraw/zinc/72/44/18/488724418.db2.gz AGXOPBCKJZDJJV-LBPRGKRZSA-N 0 2 359.342 0.878 20 5 FCBDLN CS(=O)(=O)N[C@H]1CCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000274734353 488730617 /nfs/dbraw/zinc/73/06/17/488730617.db2.gz FDNLSCGWVPXCGN-SKDRFNHKSA-N 0 2 357.388 0.748 20 5 FCBDLN COC(=O)CN(CCN1CCOCC1)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000274816638 488735838 /nfs/dbraw/zinc/73/58/38/488735838.db2.gz VCRZTTHCGHVYAR-UHFFFAOYSA-N 0 2 367.358 0.248 20 5 FCBDLN CN(C)CC[N@@H+](C)CCCNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000288613206 488997623 /nfs/dbraw/zinc/99/76/23/488997623.db2.gz LHBZNDUSFUFPIJ-UHFFFAOYSA-N 0 2 362.427 0.896 20 5 FCBDLN CN(CCCNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])CC[NH+](C)C ZINC000288613206 488997625 /nfs/dbraw/zinc/99/76/25/488997625.db2.gz LHBZNDUSFUFPIJ-UHFFFAOYSA-N 0 2 362.427 0.896 20 5 FCBDLN Cn1cc([C@H]2C[S@](=O)CCN2C(=O)c2cc([N+](=O)[O-])ccc2O)cn1 ZINC000282444207 489164391 /nfs/dbraw/zinc/16/43/91/489164391.db2.gz SMFMOOUCJZEREK-YMXBGEKHSA-N 0 2 364.383 0.980 20 5 FCBDLN O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CCC[C@@H](c2nc(=O)[nH][nH]2)C1 ZINC000283031740 489208569 /nfs/dbraw/zinc/20/85/69/489208569.db2.gz YOFLYKWZRQIYHQ-MRVPVSSYSA-N 0 2 362.302 0.934 20 5 FCBDLN C[C@]1(C[C@H]2CCCN2C(=O)c2cc([N+](=O)[O-])ccc2O)NC(=O)NC1=O ZINC000286136887 489360325 /nfs/dbraw/zinc/36/03/25/489360325.db2.gz HQCPZLPBOZUDGB-QLJPJBMISA-N 0 2 362.342 0.893 20 5 FCBDLN COC(=O)c1cn([C@H]2CCN(C(=O)c3ccc([N+](=O)[O-])c(O)c3)C2)nn1 ZINC000371859309 489519754 /nfs/dbraw/zinc/51/97/54/489519754.db2.gz RDDPDRUOTHEXGR-JTQLQIEISA-N 0 2 361.314 0.766 20 5 FCBDLN Cc1cc(S(=O)(=O)Nc2ccn(CCC(N)=O)n2)ccc1[N+](=O)[O-] ZINC000564123294 491289970 /nfs/dbraw/zinc/28/99/70/491289970.db2.gz HOAONIODZSYBBS-UHFFFAOYSA-N 0 2 353.360 0.776 20 5 FCBDLN O=C(NCC[NH+]1CCN(c2ncccn2)CC1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436635998 490010568 /nfs/dbraw/zinc/01/05/68/490010568.db2.gz OQRWDRYBGRRBSV-UHFFFAOYSA-N 0 2 372.385 0.642 20 5 FCBDLN CS(=O)(=O)N[C@H]1CCCC[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436941004 490017058 /nfs/dbraw/zinc/01/70/58/490017058.db2.gz ZGAMFNKELNIQIO-NEPJUHHUSA-N 0 2 357.388 0.891 20 5 FCBDLN Cc1cc(NS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)ccc1[N+](=O)[O-] ZINC000539598155 490790375 /nfs/dbraw/zinc/79/03/75/490790375.db2.gz DYUJPARUJGAODK-UHFFFAOYSA-N 0 2 354.344 0.101 20 5 FCBDLN CNC(=O)Cn1nc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1C ZINC000504228917 490792582 /nfs/dbraw/zinc/79/25/82/490792582.db2.gz BOJVPWJEBITZAH-UHFFFAOYSA-N 0 2 367.387 0.955 20 5 FCBDLN C[N@@H+]1CCN(C(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000575309668 491548092 /nfs/dbraw/zinc/54/80/92/491548092.db2.gz SHQLDGBHVPCVCK-JTQLQIEISA-N 0 2 369.809 0.079 20 5 FCBDLN COC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)C1 ZINC000590387529 491775148 /nfs/dbraw/zinc/77/51/48/491775148.db2.gz UVYNUMHQVORPGF-NSHDSACASA-N 0 2 351.359 0.915 20 5 FCBDLN COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)C1 ZINC000590387529 491775149 /nfs/dbraw/zinc/77/51/49/491775149.db2.gz UVYNUMHQVORPGF-NSHDSACASA-N 0 2 351.359 0.915 20 5 FCBDLN CNC(=O)Cn1cc(NS(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)cn1 ZINC000581635476 491780982 /nfs/dbraw/zinc/78/09/82/491780982.db2.gz HZGPHOOQNYIQND-UHFFFAOYSA-N 0 2 367.387 0.955 20 5 FCBDLN Cc1nc(NC(=O)c2cccc(O)c2[N+](=O)[O-])c(C(=O)NCCO)n1C ZINC000597559947 492047723 /nfs/dbraw/zinc/04/77/23/492047723.db2.gz MMCSTWUVMOVIBR-UHFFFAOYSA-N 0 2 363.330 0.317 20 5 FCBDLN NS(=O)(=O)NC[C@H]1CCCCN1C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000597739088 492062945 /nfs/dbraw/zinc/06/29/45/492062945.db2.gz XKFCCZQIVSOGBO-SECBINFHSA-N 0 2 358.376 0.088 20 5 FCBDLN COC(=O)[C@H]1CC[C@@H](C(=O)OC)N(C(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000600329024 492261403 /nfs/dbraw/zinc/26/14/03/492261403.db2.gz OCPCYCTWWDXOGD-CABZTGNLSA-N 0 2 366.326 0.867 20 5 FCBDLN CC(=O)NCC(=O)N1CCCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1 ZINC000600416399 492268554 /nfs/dbraw/zinc/26/85/54/492268554.db2.gz WDZAPOUVPCGNNJ-UHFFFAOYSA-N 0 2 364.358 0.111 20 5 FCBDLN COC(=O)Cn1cnc(NS(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)n1 ZINC000414445991 533830472 /nfs/dbraw/zinc/83/04/72/533830472.db2.gz UKAZWYYMDXBAPL-UHFFFAOYSA-N 0 2 369.359 0.777 20 5 FCBDLN COC(=O)Cn1cnc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)n1 ZINC000437338696 536386521 /nfs/dbraw/zinc/38/65/21/536386521.db2.gz GXCFJLLUTQDBQC-UHFFFAOYSA-N 0 2 355.332 0.469 20 5 FCBDLN CCNS(=O)(=O)[C@H]1CC[N@H+](Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC000593744746 546990448 /nfs/dbraw/zinc/99/04/48/546990448.db2.gz VCIKOIBFMGTJRW-LBPRGKRZSA-N 0 2 357.388 0.807 20 5 FCBDLN CCNS(=O)(=O)[C@H]1CC[N@@H+](Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC000593744746 546990453 /nfs/dbraw/zinc/99/04/53/546990453.db2.gz VCIKOIBFMGTJRW-LBPRGKRZSA-N 0 2 357.388 0.807 20 5 FCBDLN CCOCc1nc([C@H](C)NS(=O)(=O)c2ncccc2[N+](=O)[O-])no1 ZINC000594775473 547008609 /nfs/dbraw/zinc/00/86/09/547008609.db2.gz AVIXGTLSDRQBHT-QMMMGPOBSA-N 0 2 357.348 0.949 20 5 FCBDLN O=C([O-])[C@H]1C[N@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000738549098 600318548 /nfs/dbraw/zinc/31/85/48/600318548.db2.gz PWEKOSCHYBNQFV-CYBMUJFWSA-N 0 2 351.315 0.678 20 5 FCBDLN O=C([O-])[C@H]1C[N@@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000738549098 600318551 /nfs/dbraw/zinc/31/85/51/600318551.db2.gz PWEKOSCHYBNQFV-CYBMUJFWSA-N 0 2 351.315 0.678 20 5 FCBDLN CN1CCC[C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C1 ZINC000826034675 607594225 /nfs/dbraw/zinc/59/42/25/607594225.db2.gz VLKDPPMEYYPMRJ-SECBINFHSA-N 0 2 367.391 0.147 20 5 FCBDLN Cc1c(NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)cnn1C ZINC000822129196 607155571 /nfs/dbraw/zinc/15/55/71/607155571.db2.gz ITEQAHRCGONGSX-UHFFFAOYSA-N 0 2 364.347 0.618 20 5 FCBDLN N=C1NC(=O)[C@@H](CC(=O)N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)S1 ZINC000742688318 668040895 /nfs/dbraw/zinc/04/08/95/668040895.db2.gz WEZACYPCQKYGAG-WCBMZHEXSA-N 0 2 364.387 0.559 20 5 FCBDLN Cn1nncc1NS(=O)(=O)c1ccc(N2CCOC2=O)c([N+](=O)[O-])c1 ZINC000808564752 669574145 /nfs/dbraw/zinc/57/41/45/669574145.db2.gz FKLXRQWRKZRGKH-UHFFFAOYSA-N 0 2 368.331 0.481 20 5 FCBDLN COCc1nc(CNS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])n[nH]1 ZINC000849437090 671344688 /nfs/dbraw/zinc/34/46/88/671344688.db2.gz AEDDZVPUFHAMAF-UHFFFAOYSA-N 0 2 361.767 0.991 20 5 FCBDLN CC(C)(C)OC(=O)NC[C@@H](O)CNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000854713102 671596332 /nfs/dbraw/zinc/59/63/32/671596332.db2.gz ANJHYIDMAIFXCZ-JTQLQIEISA-N 0 2 355.347 0.916 20 5 FCBDLN CC(C)(C)OC(=O)NC[C@H](O)CNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000854713103 671596445 /nfs/dbraw/zinc/59/64/45/671596445.db2.gz ANJHYIDMAIFXCZ-SNVBAGLBSA-N 0 2 355.347 0.916 20 5 FCBDLN CN(CC1CCN(C(=O)C2=NC(=O)N(C)C2)CC1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000988629764 1192339724 /nfs/dbraw/zinc/33/97/24/1192339724.db2.gz ZYNMFXLYRGKSCJ-DGCLKSJQSA-N 0 2 365.390 0.102 20 5 FCBDLN O=C(NC[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)c1ccc2[nH]nnc2c1 ZINC000978809322 1186007576 /nfs/dbraw/zinc/00/75/76/1186007576.db2.gz JOJQDNKLPCMWKA-JMLLCIOISA-N 0 2 358.358 0.248 20 5 FCBDLN CC(C)(C)c1nc(CN2C[C@@H]3CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C[C@@H]3C2)n[nH]1 ZINC001048814696 1218318708 /nfs/dbraw/zinc/31/87/08/1218318708.db2.gz XVCCQXZJAWGCMV-YVECIDJPSA-N 0 2 362.434 0.658 20 5 FCBDLN O=C(Cn1[nH]cc2c(=O)ncnc1-2)N1CCCc2c([N+](=O)[O-])cccc21 ZINC000754405549 1220109559 /nfs/dbraw/zinc/10/95/59/1220109559.db2.gz JFTYXHYJGBBCPH-UHFFFAOYSA-N 0 2 354.326 0.959 20 5 FCBDLN CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1ccc(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC000840407649 1222787291 /nfs/dbraw/zinc/78/72/91/1222787291.db2.gz LEVHSDBWLKXODV-AAVRWANBSA-N 0 2 362.342 0.596 20 5 FCBDLN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])c1ccc(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC000840407649 1222787300 /nfs/dbraw/zinc/78/73/00/1222787300.db2.gz LEVHSDBWLKXODV-AAVRWANBSA-N 0 2 362.342 0.596 20 5 FCBDLN Cc1ncc(C(=O)N2CCC3(CCN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C3)CC2)[nH]1 ZINC000944365669 1247539410 /nfs/dbraw/zinc/53/94/10/1247539410.db2.gz GSWBKZOPMMFOBN-TZMCWYRMSA-N 0 2 361.402 0.838 20 5 FCBDLN O=C(NCC1CN(C(=O)c2cc(-c3ccoc3)[nH]n2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001001804619 1252351519 /nfs/dbraw/zinc/35/15/19/1252351519.db2.gz JGBAARMVBDPGPN-BXUZGUMPSA-N 0 2 359.342 0.523 20 5 FCBDLN O=C(NCC1CN(C(=O)c2ccc(-c3nnc[nH]3)cc2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001001811186 1252356602 /nfs/dbraw/zinc/35/66/02/1252356602.db2.gz YQTPWXMIZVTDIU-ZIAGYGMSSA-N 0 2 370.369 0.325 20 5 FCBDLN O=C(Cn1[nH]cc2c(=O)ncnc1-2)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001319058571 1263645777 /nfs/dbraw/zinc/64/57/77/1263645777.db2.gz PIIUQCNXTKROFH-UHFFFAOYSA-N 0 2 354.326 0.564 20 5 FCBDLN CCN(CCNC(=O)c1ccc(-c2cn[nH]n2)cc1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001576537110 1273422098 /nfs/dbraw/zinc/42/20/98/1273422098.db2.gz ZPWOYCQUCFJVCI-UKRRQHHQSA-N 0 2 372.385 0.715 20 5 FCBDLN CCc1nn(Cc2cn(C)nc2[N+](=O)[O-])c(=O)c(-c2nn[nH]n2)c1CC ZINC001590929710 1283978639 /nfs/dbraw/zinc/97/86/39/1283978639.db2.gz OBNKIAHUBXNRCW-UHFFFAOYSA-N 0 2 359.350 0.238 20 5 FCBDLN O=c1[nH]c(=O)n(C2CN(c3ccsc3[N+](=O)[O-])C2)cc1-c1nn[nH]n1 ZINC001593488603 1286178280 /nfs/dbraw/zinc/17/82/80/1286178280.db2.gz OQIFXLYGSZZBRT-UHFFFAOYSA-N 0 2 362.331 0.160 20 5 FCBDLN COC(=O)c1cc(-c2nn[nH]n2)c(=O)n(Cc2csc([N+](=O)[O-])c2)c1 ZINC001609301874 1289074648 /nfs/dbraw/zinc/07/46/48/1289074648.db2.gz HBCQJKYCCKJEPD-UHFFFAOYSA-N 0 2 362.327 0.833 20 5 FCBDLN O=C([O-])[C@@H](Cn1cc[nH+]c1)NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001601425457 1286744304 /nfs/dbraw/zinc/74/43/04/1286744304.db2.gz ATGATNCAMWMGSY-CQSZACIVSA-N 0 2 370.325 0.860 20 5 FCBDLN O=C([O-])C[NH+]1CCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC001602062350 1286914527 /nfs/dbraw/zinc/91/45/27/1286914527.db2.gz PDQVXAWCQXGVSH-UHFFFAOYSA-N 0 2 363.779 0.639 20 5 FCBDLN O=C([O-])C[NH+]1CCN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)CC1 ZINC001602062533 1286917392 /nfs/dbraw/zinc/91/73/92/1286917392.db2.gz OYBOELLXIFYHON-UHFFFAOYSA-N 0 2 359.342 0.827 20 5 FCBDLN C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNc1ncc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001606195346 1288206322 /nfs/dbraw/zinc/20/63/22/1288206322.db2.gz VOJALJYREIGBSW-MRXNPFEDSA-N 0 2 366.374 0.716 20 5 FCBDLN C[N@H+]1C2(CCC2)COC[C@]1(CO)CNc1ncc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001606195346 1288206326 /nfs/dbraw/zinc/20/63/26/1288206326.db2.gz VOJALJYREIGBSW-MRXNPFEDSA-N 0 2 366.374 0.716 20 5 FCBDLN Cn1c(=O)[nH]c(Oc2ccc(Cl)cc2[N+](=O)[O-])c(-c2nn[nH]n2)c1=O ZINC001606206266 1288210858 /nfs/dbraw/zinc/21/08/58/1288210858.db2.gz ULVWTVQJMGSHCG-UHFFFAOYSA-N 0 2 365.693 0.608 20 5 FCBDLN O=C(Cn1cncc(-c2nn[nH]n2)c1=O)Nc1cc([N+](=O)[O-])ccc1F ZINC001609537998 1289203193 /nfs/dbraw/zinc/20/31/93/1289203193.db2.gz JEJCYTCLNQXFDH-UHFFFAOYSA-N 0 2 360.265 0.109 20 5 FCBDLN O=C([O-])[C@@H]1C[C@@H](O)C[N@@H+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC001610661693 1289545137 /nfs/dbraw/zinc/54/51/37/1289545137.db2.gz IJJDNLMPGGJCQO-PSASIEDQSA-N 0 2 357.750 0.954 20 5 FCBDLN O=C([O-])[C@@H]1C[C@@H](O)C[N@H+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC001610661693 1289545143 /nfs/dbraw/zinc/54/51/43/1289545143.db2.gz IJJDNLMPGGJCQO-PSASIEDQSA-N 0 2 357.750 0.954 20 5 FCBDLN O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC(=O)NCCN(CCCCCF)CC1 ZINC001131353822 849097063 /nfs/dbraw/zinc/09/70/63/849097063.db2.gz FGXYFAVQMCNFKH-ZIAGYGMSSA-N 0 2 358.414 0.442 20 5 FCBDLN O=[N+]([O-])c1cccc(CO[C@H](C[NH+]2CCOCC2)CS(=O)(=O)[O-])c1 ZINC001222768053 856871200 /nfs/dbraw/zinc/87/12/00/856871200.db2.gz GSBKOLXAWCSAMU-CQSZACIVSA-N 0 2 360.388 0.700 20 5 FCBDLN O=[N+]([O-])c1cc(S(=O)(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)ccc1[O-] ZINC001309247172 866766586 /nfs/dbraw/zinc/76/65/86/866766586.db2.gz RSLGTWICTKJRCM-GFCCVEGCSA-N 0 2 371.415 0.643 20 5 FCBDLN COc1cc(S(=O)(=O)N2CC[NH+](CCC(=O)[O-])CC2)ccc1[N+](=O)[O-] ZINC001320435423 868167394 /nfs/dbraw/zinc/16/73/94/868167394.db2.gz YXDFZWMDJXNFAX-UHFFFAOYSA-N 0 2 373.387 0.384 20 5 FCBDLN CN1C[C@@H](C(=O)[O-])N(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC1=O ZINC001598563399 993113296 /nfs/dbraw/zinc/11/32/96/993113296.db2.gz RWSUZTXGVIFCQR-ZDUSSCGKSA-N 0 2 373.325 0.148 20 5 FCBDLN Cn1cc([C@H]2C[S@](=O)CCN2C(=O)c2ccc([N+](=O)[O-])c(O)c2)cn1 ZINC000277695393 212388999 /nfs/dbraw/zinc/38/89/99/212388999.db2.gz RBIYJAQGMYGLFD-YMXBGEKHSA-N 0 2 364.383 0.980 20 5 FCBDLN COCCCN(C(=O)c1ccc([N+](=O)[O-])cc1O)[C@@H]1CCS(=O)(=O)C1 ZINC000274637918 211883808 /nfs/dbraw/zinc/88/38/08/211883808.db2.gz PQKPNRLWDATGJC-GFCCVEGCSA-N 0 2 372.399 0.966 20 5 FCBDLN NC(=O)CNC(=O)c1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2O)cc1 ZINC000436672927 248045964 /nfs/dbraw/zinc/04/59/64/248045964.db2.gz GVEVOOCGVJGXMS-UHFFFAOYSA-N 0 2 372.337 0.446 20 5 FCBDLN NS(=O)(=O)c1cccc(CNC(=O)c2ccc([N+](=O)[O-])cc2O)c1 ZINC000436861359 248052874 /nfs/dbraw/zinc/05/28/74/248052874.db2.gz TUFQXBSTJNEUEV-UHFFFAOYSA-N 0 2 351.340 0.878 20 5 FCBDLN COc1cc([N+](=O)[O-])c(C(=O)NN2CC(=O)N(C)C2=O)cc1SC ZINC000271298874 211374793 /nfs/dbraw/zinc/37/47/93/211374793.db2.gz RXGKGNBYUPPNMJ-UHFFFAOYSA-N 0 2 354.344 0.864 20 5 FCBDLN COc1ccc(S(=O)(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)[O-])cc1[N+](=O)[O-] ZINC000327276526 488919004 /nfs/dbraw/zinc/91/90/04/488919004.db2.gz HWNRSKSBKYKRNL-JTQLQIEISA-N 0 2 370.343 0.301 20 5 FCBDLN COc1ccc(S(=O)(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)[O-])cc1[N+](=O)[O-] ZINC000327276526 488919006 /nfs/dbraw/zinc/91/90/06/488919006.db2.gz HWNRSKSBKYKRNL-JTQLQIEISA-N 0 2 370.343 0.301 20 5 FCBDLN C[C@@]1(C[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(O)c2)NC(=O)NC1=O ZINC000288017587 488933053 /nfs/dbraw/zinc/93/30/53/488933053.db2.gz WJJLNEFSHYQJJX-HWPZZCPQSA-N 0 2 362.342 0.893 20 5 FCBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000279472685 488945440 /nfs/dbraw/zinc/94/54/40/488945440.db2.gz LXUNKEXJWLHZGF-GFCCVEGCSA-N 0 2 369.399 0.941 20 5 FCBDLN O=C(N[C@@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1)c1cc([N+](=O)[O-])ccc1O ZINC000272359994 488575804 /nfs/dbraw/zinc/57/58/04/488575804.db2.gz FAXLKKYQBYSETG-BMIGLBTASA-N 0 2 370.383 0.767 20 5 FCBDLN CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)CC1 ZINC000272596028 488591259 /nfs/dbraw/zinc/59/12/59/488591259.db2.gz JPKAYCNUOGITNU-UHFFFAOYSA-N 0 2 350.375 0.584 20 5 FCBDLN CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)CC1 ZINC000272596028 488591262 /nfs/dbraw/zinc/59/12/62/488591262.db2.gz JPKAYCNUOGITNU-UHFFFAOYSA-N 0 2 350.375 0.584 20 5 FCBDLN COC(=O)[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2O)[C@@H](C(=O)OC)C1 ZINC000272925492 488617482 /nfs/dbraw/zinc/61/74/82/488617482.db2.gz FPSWCQKERRXZRQ-BXKDBHETSA-N 0 2 366.326 0.867 20 5 FCBDLN CN(C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1)S(C)(=O)=O ZINC000274604436 488722845 /nfs/dbraw/zinc/72/28/45/488722845.db2.gz FQOQIIKRFUNOOI-UHFFFAOYSA-N 0 2 357.388 0.796 20 5 FCBDLN O=C([O-])[C@H](Cc1c[nH+]c[nH]1)NS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000274987965 488751193 /nfs/dbraw/zinc/75/11/93/488751193.db2.gz YQRVFYWBLLRHCW-LBPRGKRZSA-N 0 2 368.371 0.476 20 5 FCBDLN O=C([O-])[C@H](Cc1c[nH]c[nH+]1)NS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000274987965 488751198 /nfs/dbraw/zinc/75/11/98/488751198.db2.gz YQRVFYWBLLRHCW-LBPRGKRZSA-N 0 2 368.371 0.476 20 5 FCBDLN O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](F)C(F)(F)F ZINC000290101903 489114210 /nfs/dbraw/zinc/11/42/10/489114210.db2.gz JZIQNLOFDLBZKR-SECBINFHSA-N 0 2 373.284 0.890 20 5 FCBDLN O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(F)C(F)(F)F ZINC000290101903 489114213 /nfs/dbraw/zinc/11/42/13/489114213.db2.gz JZIQNLOFDLBZKR-SECBINFHSA-N 0 2 373.284 0.890 20 5 FCBDLN Cn1cc([C@H]2C[S@@](=O)CCN2C(=O)c2cc([N+](=O)[O-])ccc2O)cn1 ZINC000282444186 489164395 /nfs/dbraw/zinc/16/43/95/489164395.db2.gz SMFMOOUCJZEREK-SHZVTRLKSA-N 0 2 364.383 0.980 20 5 FCBDLN O=C([O-])c1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000414328507 489496346 /nfs/dbraw/zinc/49/63/46/489496346.db2.gz AOXHVWUFVHAVRH-SNVBAGLBSA-N 0 2 366.355 0.783 20 5 FCBDLN COC(=O)c1cn([C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])c(O)c3)C2)nn1 ZINC000371859310 489519637 /nfs/dbraw/zinc/51/96/37/489519637.db2.gz RDDPDRUOTHEXGR-SNVBAGLBSA-N 0 2 361.314 0.766 20 5 FCBDLN NS(=O)(=O)c1ccccc1CNC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000490919588 489789137 /nfs/dbraw/zinc/78/91/37/489789137.db2.gz OLQJVPYHURZYMP-UHFFFAOYSA-N 0 2 351.340 0.878 20 5 FCBDLN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1nnc(NS(C)(=O)=O)s1 ZINC000492147938 489819261 /nfs/dbraw/zinc/81/92/61/489819261.db2.gz OEAHNMNANBEBDR-UHFFFAOYSA-N 0 2 358.361 0.774 20 5 FCBDLN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436822730 490013516 /nfs/dbraw/zinc/01/35/16/490013516.db2.gz QKNHFQSTYPWFSU-BDAKNGLRSA-N 0 2 353.331 0.487 20 5 FCBDLN O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436968649 490016991 /nfs/dbraw/zinc/01/69/91/490016991.db2.gz UYAKVHUHRXWXRX-UHFFFAOYSA-N 0 2 361.358 1.081 20 5 FCBDLN O=C(Cn1ccc([N+](=O)[O-])n1)NC1CCN(C(=O)c2ccccc2O)CC1 ZINC000436942812 490017151 /nfs/dbraw/zinc/01/71/51/490017151.db2.gz ICDZCONZSQVSON-UHFFFAOYSA-N 0 2 373.369 0.918 20 5 FCBDLN COC(=O)c1cnc(NS(=O)(=O)CCc2ccccc2[N+](=O)[O-])cn1 ZINC000468911269 490462755 /nfs/dbraw/zinc/46/27/55/490462755.db2.gz JZQFAKTUFICQLV-UHFFFAOYSA-N 0 2 366.355 1.156 20 5 FCBDLN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccn(CCC(N)=O)n1 ZINC000524007612 490509467 /nfs/dbraw/zinc/50/94/67/490509467.db2.gz SJWYLAWWIORYQB-UHFFFAOYSA-N 0 2 353.360 0.776 20 5 FCBDLN CNC(=O)Cn1cnc(NS(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)n1 ZINC000542714494 490905450 /nfs/dbraw/zinc/90/54/50/490905450.db2.gz ZUFGTKRBRIGSII-UHFFFAOYSA-N 0 2 368.375 0.350 20 5 FCBDLN O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)NCC(F)(F)F)CC2)cn1 ZINC000573767860 491453332 /nfs/dbraw/zinc/45/33/32/491453332.db2.gz AEVOQEFCEDKEPB-UHFFFAOYSA-N 0 2 369.325 0.509 20 5 FCBDLN COc1cc(NS(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)[nH]n1 ZINC000600657767 491872715 /nfs/dbraw/zinc/87/27/15/491872715.db2.gz ASIMMZCMIAESOL-UHFFFAOYSA-N 0 2 356.316 0.899 20 5 FCBDLN COC(=O)c1sc(NS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])nc1C ZINC000600665128 491873993 /nfs/dbraw/zinc/87/39/93/491873993.db2.gz KAUPXRBTOQQPBV-UHFFFAOYSA-N 0 2 361.361 0.681 20 5 FCBDLN CCOC(=O)c1n[nH]c(CNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)n1 ZINC000615920236 492108088 /nfs/dbraw/zinc/10/80/88/492108088.db2.gz PWIKKDQFMJJWJY-UHFFFAOYSA-N 0 2 359.302 0.696 20 5 FCBDLN COC(=O)[C@@H]1CC[C@@H](C(=O)OC)N(C(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000600329026 492261344 /nfs/dbraw/zinc/26/13/44/492261344.db2.gz OCPCYCTWWDXOGD-SKDRFNHKSA-N 0 2 366.326 0.867 20 5 FCBDLN O=c1[nH]nc([C@H]2CCCN(S(=O)(=O)c3ncccc3[N+](=O)[O-])C2)[nH]1 ZINC000594778596 547009253 /nfs/dbraw/zinc/00/92/53/547009253.db2.gz LQWTUSPONQWCFF-QMMMGPOBSA-N 0 2 354.348 0.382 20 5 FCBDLN C[N@@H+]1CCO[C@@H](CNc2ccc(C(=O)NCC(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000737528997 599967390 /nfs/dbraw/zinc/96/73/90/599967390.db2.gz GQSQAKQLVLCSSU-NSHDSACASA-N 0 2 352.347 0.152 20 5 FCBDLN C[N@H+]1CCO[C@@H](CNc2ccc(C(=O)NCC(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000737528997 599967391 /nfs/dbraw/zinc/96/73/91/599967391.db2.gz GQSQAKQLVLCSSU-NSHDSACASA-N 0 2 352.347 0.152 20 5 FCBDLN CN(C(=O)c1n[nH]cc1C(F)(F)F)C1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000954453723 674497676 /nfs/dbraw/zinc/49/76/76/674497676.db2.gz AAFRPEBOYJAWMX-VXNVDRBHSA-N 0 2 361.280 0.377 20 5 FCBDLN O=C(C[NH2+][C@@]1(C(=O)[O-])CCOC1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000833764241 604491230 /nfs/dbraw/zinc/49/12/30/604491230.db2.gz CGKWNXDZHDAMLR-AWEZNQCLSA-N 0 2 353.287 0.095 20 5 FCBDLN CCc1nn(CCn2cc([N+](=O)[O-])cn2)c(=O)c(-c2nn[nH]n2)c1CC ZINC000821517371 606043379 /nfs/dbraw/zinc/04/33/79/606043379.db2.gz IOFQZGJMWFUUHL-UHFFFAOYSA-N 0 2 359.350 0.353 20 5 FCBDLN Cc1n[nH]c([C@@H]2CCCN(c3nccc(-c4nn[nH]n4)c3[N+](=O)[O-])C2)n1 ZINC000822436042 606726186 /nfs/dbraw/zinc/72/61/86/606726186.db2.gz GEPNJVSCROXYBA-SECBINFHSA-N 0 2 356.350 0.980 20 5 FCBDLN Cc1nc([C@@H]2CCCN(c3nccc(-c4nn[nH]n4)c3[N+](=O)[O-])C2)n[nH]1 ZINC000822436042 606726187 /nfs/dbraw/zinc/72/61/87/606726187.db2.gz GEPNJVSCROXYBA-SECBINFHSA-N 0 2 356.350 0.980 20 5 FCBDLN Cc1nnc([C@@H]2CCCN(c3nccc(-c4nn[nH]n4)c3[N+](=O)[O-])C2)[nH]1 ZINC000822436042 606726188 /nfs/dbraw/zinc/72/61/88/606726188.db2.gz GEPNJVSCROXYBA-SECBINFHSA-N 0 2 356.350 0.980 20 5 FCBDLN O=C(NC1(C2CC[NH+](Cc3n[nH]c(=O)[n-]3)CC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001000153983 667263496 /nfs/dbraw/zinc/26/34/96/667263496.db2.gz NJYAYWPREAVEKW-GHMZBOCLSA-N 0 2 350.379 0.036 20 5 FCBDLN O=C(NCc1nc(CNCc2cccnc2)cc(=O)[nH]1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001087256953 1180335568 /nfs/dbraw/zinc/33/55/68/1180335568.db2.gz SDNGZMJTYPFKFF-CHWSQXEVSA-N 0 2 358.358 0.148 20 5 FCBDLN O=C(c1cc(-c2ccoc2)[nH]n1)N1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001011113912 1213830381 /nfs/dbraw/zinc/83/03/81/1213830381.db2.gz ZLVZAQZEUHYOPL-BXUZGUMPSA-N 0 2 359.342 0.619 20 5 FCBDLN O=C(NCc1ccc(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c(F)c1)c1cnn[nH]1 ZINC001017783788 1214149010 /nfs/dbraw/zinc/14/90/10/1214149010.db2.gz AOXLWPZQVOZKHE-ZWNOBZJWSA-N 0 2 362.321 0.155 20 5 FCBDLN O=C(c1cccc2nn[nH]c21)N1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@H]2C1 ZINC000961554200 1214226413 /nfs/dbraw/zinc/22/64/13/1214226413.db2.gz MWXFILBOPYUYNW-IQOUGMIPSA-N 0 2 370.369 0.154 20 5 FCBDLN COc1ccc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000841152987 1222810043 /nfs/dbraw/zinc/81/00/43/1222810043.db2.gz OMFXCJGDCNJNFL-CNVPUSNMSA-N 0 2 364.314 0.903 20 5 FCBDLN COCCC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCN(Cc2n[nH]c(C)n2)CC1 ZINC001151121299 1222915718 /nfs/dbraw/zinc/91/57/18/1222915718.db2.gz LICFRCOWGCCIQO-CHWSQXEVSA-N 0 2 366.422 0.266 20 5 FCBDLN O=C(NC1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)c1ccc(-c2nnc[nH]2)cc1 ZINC000998999345 1252019168 /nfs/dbraw/zinc/01/91/68/1252019168.db2.gz ORIGZIBXEXLKCU-CHWSQXEVSA-N 0 2 356.342 0.078 20 5 FCBDLN CCc1nn(Cc2onc(C)c2[N+](=O)[O-])c(=O)c(-c2nn[nH]n2)c1CC ZINC001590929781 1283978766 /nfs/dbraw/zinc/97/87/66/1283978766.db2.gz UYNWNGGIJCPXSH-UHFFFAOYSA-N 0 2 360.334 0.801 20 5 FCBDLN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1c(-c2nn[nH]n2)cnn1C ZINC001591830116 1284932794 /nfs/dbraw/zinc/93/27/94/1284932794.db2.gz IENLOZFGFOUXEI-UHFFFAOYSA-N 0 2 364.347 0.618 20 5 FCBDLN Cc1ccc([N+](=O)[O-])cc1NC(=O)Cn1cncc(-c2nn[nH]n2)c1=O ZINC001592197418 1285179923 /nfs/dbraw/zinc/17/99/23/1285179923.db2.gz KDXZUSGFZLBZJM-UHFFFAOYSA-N 0 2 356.302 0.279 20 5 FCBDLN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1c(-c2nn[nH]n2)cnn1C ZINC001592197983 1285180749 /nfs/dbraw/zinc/18/07/49/1285180749.db2.gz QAGHMMNDIPQDCW-UHFFFAOYSA-N 0 2 364.347 0.618 20 5 FCBDLN COC(=O)c1cc(-c2nn[nH]n2)c(=O)n(Cc2cc(F)ccc2[N+](=O)[O-])c1 ZINC001609302171 1289075390 /nfs/dbraw/zinc/07/53/90/1289075390.db2.gz XGJBOIKXFGEWSJ-UHFFFAOYSA-N 0 2 374.288 0.911 20 5 FCBDLN O=C([O-])c1ccc(S(=O)(=O)N2CC[NH2+]C[C@@H]2C(F)F)cc1[N+](=O)[O-] ZINC001602394581 1286994122 /nfs/dbraw/zinc/99/41/22/1286994122.db2.gz CZRBRBYJXJBPQZ-SNVBAGLBSA-N 0 2 365.314 0.521 20 5 FCBDLN COC(=O)c1cc(-c2nn[nH]n2)c(=O)n(Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001604964480 1287823317 /nfs/dbraw/zinc/82/33/17/1287823317.db2.gz QZXVEGMYFBHWKU-UHFFFAOYSA-N 0 2 356.298 0.772 20 5 FCBDLN C[C@H](Nc1c(-c2nn[nH]n2)c(=O)n(C)c(=O)n1C)c1cccc([N+](=O)[O-])c1 ZINC001609126385 1288934138 /nfs/dbraw/zinc/93/41/38/1288934138.db2.gz QPPVXPUFQHULGX-QMMMGPOBSA-N 0 2 372.345 0.345 20 5 FCBDLN CS(=O)(=O)CC[NH+]1CCC(Nc2ncc(C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC001610372496 1289472120 /nfs/dbraw/zinc/47/21/20/1289472120.db2.gz DFGOACSJLVJEGT-UHFFFAOYSA-N 0 2 372.403 0.609 20 5 FCBDLN O=C([O-])[C@@H]1[C@@H](O)CCC[N@@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC001610732421 1289570313 /nfs/dbraw/zinc/57/03/13/1289570313.db2.gz FCKUFDNNKWCIFO-STQMWFEESA-N 0 2 358.372 0.278 20 5 FCBDLN O=C([O-])[C@@H]1[C@@H](O)CCC[N@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC001610732421 1289570319 /nfs/dbraw/zinc/57/03/19/1289570319.db2.gz FCKUFDNNKWCIFO-STQMWFEESA-N 0 2 358.372 0.278 20 5 FCBDLN O=C([O-])c1cccc(S(=O)(=O)NCC[N@@H+]2CCCOCC2)c1[N+](=O)[O-] ZINC001118294434 847367670 /nfs/dbraw/zinc/36/76/70/847367670.db2.gz CFIZSNWRCGADDO-UHFFFAOYSA-N 0 2 373.387 0.294 20 5 FCBDLN O=C([O-])c1cccc(S(=O)(=O)NCC[N@H+]2CCCOCC2)c1[N+](=O)[O-] ZINC001118294434 847367679 /nfs/dbraw/zinc/36/76/79/847367679.db2.gz CFIZSNWRCGADDO-UHFFFAOYSA-N 0 2 373.387 0.294 20 5 FCBDLN COC(=O)CC(CC(=O)OC)Oc1nc(SC)[nH]c(=O)c1[N+](=O)[O-] ZINC001227624701 857168104 /nfs/dbraw/zinc/16/81/04/857168104.db2.gz COWXJKZFUUHUJZ-UHFFFAOYSA-N 0 2 361.332 0.686 20 5 FCBDLN CSc1nc(OC(COC(C)=O)COC(C)=O)c([N+](=O)[O-])c(=O)[nH]1 ZINC001227625163 857168684 /nfs/dbraw/zinc/16/86/84/857168684.db2.gz QYDQSORVCSFDLP-UHFFFAOYSA-N 0 2 361.332 0.686 20 5 FCBDLN CCCSc1nc(OC[C@H]2OCCN(C)C2=O)c([N+](=O)[O-])c(=O)[nH]1 ZINC001229791806 857287571 /nfs/dbraw/zinc/28/75/71/857287571.db2.gz NENJFNLLXZJHQH-MRVPVSSYSA-N 0 2 358.376 0.829 20 5 FCBDLN O=[N+]([O-])c1cc(S(=O)(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)ccc1[O-] ZINC001309247173 866765682 /nfs/dbraw/zinc/76/56/82/866765682.db2.gz RSLGTWICTKJRCM-LBPRGKRZSA-N 0 2 371.415 0.643 20 5 FCBDLN COC(=O)CC[N@H+](CC(=O)[O-])[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC001593841145 955365898 /nfs/dbraw/zinc/36/58/98/955365898.db2.gz QGUANDHIPDQSDV-ZDUSSCGKSA-N 0 2 365.342 0.650 20 5 FCBDLN COC(=O)CC[N@@H+](CC(=O)[O-])[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC001593841145 955365906 /nfs/dbraw/zinc/36/59/06/955365906.db2.gz QGUANDHIPDQSDV-ZDUSSCGKSA-N 0 2 365.342 0.650 20 5 FCBDLN COc1ccc(NC(=O)[C@H](C)[N@@H+]2C[C@H](O)C[C@@H](C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC001599591030 993683811 /nfs/dbraw/zinc/68/38/11/993683811.db2.gz UAMYOYGKSINDBZ-HBNTYKKESA-N 0 2 367.358 0.698 20 5 FCBDLN COc1ccc(NC(=O)[C@H](C)[N@H+]2C[C@H](O)C[C@@H](C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC001599591030 993683818 /nfs/dbraw/zinc/68/38/18/993683818.db2.gz UAMYOYGKSINDBZ-HBNTYKKESA-N 0 2 367.358 0.698 20 5 FCBDLN CNC(=O)N[C@@H]1CC[N@H+](Cc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)C1 ZINC001598653330 994480489 /nfs/dbraw/zinc/48/04/89/994480489.db2.gz PFACNIODZCTIKW-LLVKDONJSA-N 0 2 352.347 0.562 20 5 FCBDLN CNC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)C1 ZINC001598653330 994480494 /nfs/dbraw/zinc/48/04/94/994480494.db2.gz PFACNIODZCTIKW-LLVKDONJSA-N 0 2 352.347 0.562 20 5 FCBDLN COc1cc(C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)[O-])c([N+](=O)[O-])cc1F ZINC001599354458 998155465 /nfs/dbraw/zinc/15/54/65/998155465.db2.gz CBEHAWYOQBKVAP-JTQLQIEISA-N 0 2 352.278 0.891 20 5 FCBDLN COc1cc(C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)[O-])c([N+](=O)[O-])cc1F ZINC001599354458 998155472 /nfs/dbraw/zinc/15/54/72/998155472.db2.gz CBEHAWYOQBKVAP-JTQLQIEISA-N 0 2 352.278 0.891 20 5 FCBDLN CCOC(=O)Cn1cnc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000424223724 247180859 /nfs/dbraw/zinc/18/08/59/247180859.db2.gz QKROOZCLSPPHOM-UHFFFAOYSA-N 0 2 369.359 0.859 20 5 FCBDLN O=C(NCC[NH+]1CCN(c2ncccn2)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436669887 248045360 /nfs/dbraw/zinc/04/53/60/248045360.db2.gz BNPILTLQBZUDLN-UHFFFAOYSA-N 0 2 372.385 0.642 20 5 FCBDLN O=C(c1cccc([N+](=O)[O-])c1[O-])N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC000436884239 248052679 /nfs/dbraw/zinc/05/26/79/248052679.db2.gz DUROECDEXYXCEG-CYBMUJFWSA-N 0 2 365.386 0.864 20 5 FCBDLN O=C(c1cccc([N+](=O)[O-])c1[O-])N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC000436884241 248052724 /nfs/dbraw/zinc/05/27/24/248052724.db2.gz DUROECDEXYXCEG-ZDUSSCGKSA-N 0 2 365.386 0.864 20 5 FCBDLN O=C(NCCNS(=O)(=O)Cc1ccon1)c1cc([N+](=O)[O-])ccc1O ZINC000436974472 248054620 /nfs/dbraw/zinc/05/46/20/248054620.db2.gz YUCFUNNXFUIZEG-UHFFFAOYSA-N 0 2 370.343 0.138 20 5 FCBDLN CNC(=O)Cn1cnc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000266314108 210320338 /nfs/dbraw/zinc/32/03/38/210320338.db2.gz FROQVFKONOIHRQ-UHFFFAOYSA-N 0 2 354.348 0.042 20 5 FCBDLN COCCO[C@@H]1C[C@H](CO)CN(C(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000278526859 488879986 /nfs/dbraw/zinc/87/99/86/488879986.db2.gz GYYZBHCGKHYMLY-WCQYABFASA-N 0 2 354.359 0.786 20 5 FCBDLN CC[C@]1(C)NC(=O)N(NC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)C1=O ZINC000278539758 488880838 /nfs/dbraw/zinc/88/08/38/488880838.db2.gz AEFGAGMDBDWFQE-ZDUSSCGKSA-N 0 2 364.343 0.965 20 5 FCBDLN O=C([O-])[C@@H](Cc1c[nH+]c[nH]1)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000325949676 488912721 /nfs/dbraw/zinc/91/27/21/488912721.db2.gz NKOINOFMJGSRHL-SNVBAGLBSA-N 0 2 374.762 0.946 20 5 FCBDLN O=C([O-])[C@@H](Cc1c[nH]c[nH+]1)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000325949676 488912724 /nfs/dbraw/zinc/91/27/24/488912724.db2.gz NKOINOFMJGSRHL-SNVBAGLBSA-N 0 2 374.762 0.946 20 5 FCBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)[O-] ZINC000327060943 488918095 /nfs/dbraw/zinc/91/80/95/488918095.db2.gz AISDTHPWJDDZNA-SNVBAGLBSA-N 0 2 370.343 0.301 20 5 FCBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)[O-] ZINC000327060943 488918098 /nfs/dbraw/zinc/91/80/98/488918098.db2.gz AISDTHPWJDDZNA-SNVBAGLBSA-N 0 2 370.343 0.301 20 5 FCBDLN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)[O-])cc1C ZINC000327259632 488918403 /nfs/dbraw/zinc/91/84/03/488918403.db2.gz CXFRRZZSHOUNPS-NSHDSACASA-N 0 2 368.371 0.909 20 5 FCBDLN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)[O-])cc1C ZINC000327259632 488918404 /nfs/dbraw/zinc/91/84/04/488918404.db2.gz CXFRRZZSHOUNPS-NSHDSACASA-N 0 2 368.371 0.909 20 5 FCBDLN C[C@]1(C[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(O)c2)NC(=O)NC1=O ZINC000288019870 488933636 /nfs/dbraw/zinc/93/36/36/488933636.db2.gz WJJLNEFSHYQJJX-QLJPJBMISA-N 0 2 362.342 0.893 20 5 FCBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000279526068 488949917 /nfs/dbraw/zinc/94/99/17/488949917.db2.gz PVFKOMRYZDIKKE-GFCCVEGCSA-N 0 2 369.399 0.941 20 5 FCBDLN O=C(NCCNc1ccccc1[N+](=O)[O-])c1c[nH]c2nc(=O)[nH]c(=O)c-2c1 ZINC000047403819 488025351 /nfs/dbraw/zinc/02/53/51/488025351.db2.gz GCKZSPYDRKOUHM-UHFFFAOYSA-N 0 2 370.325 0.774 20 5 FCBDLN CS(=O)(=O)Nc1nnc(NC(=O)COc2ccc([N+](=O)[O-])cc2)s1 ZINC000108453884 488519674 /nfs/dbraw/zinc/51/96/74/488519674.db2.gz SCGVFDHJFSPALB-UHFFFAOYSA-N 0 2 373.372 0.835 20 5 FCBDLN CS(=O)(=O)NC[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000272327533 488573270 /nfs/dbraw/zinc/57/32/70/488573270.db2.gz CTIOZWNLNRADEY-JTQLQIEISA-N 0 2 357.388 0.702 20 5 FCBDLN O=C(N[C@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1)c1cc([N+](=O)[O-])ccc1O ZINC000272360001 488575684 /nfs/dbraw/zinc/57/56/84/488575684.db2.gz FAXLKKYQBYSETG-BONVTDFDSA-N 0 2 370.383 0.767 20 5 FCBDLN CS(=O)(=O)N[C@@H]1CCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000272397987 488578142 /nfs/dbraw/zinc/57/81/42/488578142.db2.gz MISGIANJVFNEJT-BXKDBHETSA-N 0 2 357.388 0.748 20 5 FCBDLN CC[C@@H](C)NC(=O)CN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000273247134 488640047 /nfs/dbraw/zinc/64/00/47/488640047.db2.gz VLIIUHZYKYFLPC-GFCCVEGCSA-N 0 2 364.402 0.973 20 5 FCBDLN COC(=O)CCN(CC(OC)OC)C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000274169798 488687986 /nfs/dbraw/zinc/68/79/86/488687986.db2.gz BPHVGTUAMBFDSI-UHFFFAOYSA-N 0 2 356.331 0.925 20 5 FCBDLN O=C(NCCS(=O)(=O)NCC1CCC1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000264644925 488693906 /nfs/dbraw/zinc/69/39/06/488693906.db2.gz YRNLOJFYWRHOBF-UHFFFAOYSA-N 0 2 357.388 0.750 20 5 FCBDLN C[C@@]1(C[C@@H]2CCCN2C(=O)c2cc([N+](=O)[O-])ccc2O)NC(=O)NC1=O ZINC000286136880 489359837 /nfs/dbraw/zinc/35/98/37/489359837.db2.gz HQCPZLPBOZUDGB-QFYYESIMSA-N 0 2 362.342 0.893 20 5 FCBDLN COC(=O)CNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000416315981 489582710 /nfs/dbraw/zinc/58/27/10/489582710.db2.gz AMPJVZJZRLHBQB-NSHDSACASA-N 0 2 351.315 0.194 20 5 FCBDLN O=C(NCCCO)C1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1 ZINC000427379306 489604546 /nfs/dbraw/zinc/60/45/46/489604546.db2.gz IREBQDPWCBZBKO-UHFFFAOYSA-N 0 2 351.359 0.651 20 5 FCBDLN O=C([O-])[C@@H]1CSCC[N@@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000570986373 491278850 /nfs/dbraw/zinc/27/88/50/491278850.db2.gz AWGGOIKPYOMBRW-LBPRGKRZSA-N 0 2 360.413 0.871 20 5 FCBDLN O=C([O-])[C@@H]1CSCC[N@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000570986373 491278851 /nfs/dbraw/zinc/27/88/51/491278851.db2.gz AWGGOIKPYOMBRW-LBPRGKRZSA-N 0 2 360.413 0.871 20 5 FCBDLN COC(=O)Cn1cnc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)n1 ZINC000493036854 489839684 /nfs/dbraw/zinc/83/96/84/489839684.db2.gz WVNFDVKFDCOUMD-UHFFFAOYSA-N 0 2 369.359 0.777 20 5 FCBDLN O=C(NCC[NH+]1CCN(c2ncccn2)CC1)c1cccc([N+](=O)[O-])c1[O-] ZINC000436915779 490016126 /nfs/dbraw/zinc/01/61/26/490016126.db2.gz QDCQMVAJSMOUFD-UHFFFAOYSA-N 0 2 372.385 0.642 20 5 FCBDLN COC(=O)c1cc(NC(=O)NCc2n[nH]c(=O)[nH]2)c(C)c([N+](=O)[O-])c1 ZINC000486865446 490677365 /nfs/dbraw/zinc/67/73/65/490677365.db2.gz GVEJYNUIASCYCI-UHFFFAOYSA-N 0 2 350.291 0.835 20 5 FCBDLN Cc1n[nH]c(NC(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000502684969 490715524 /nfs/dbraw/zinc/71/55/24/490715524.db2.gz RJUCMBFQMDBJEW-UHFFFAOYSA-N 0 2 354.348 0.328 20 5 FCBDLN Cc1n[nH]c(NC(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)n1 ZINC000502686561 490715545 /nfs/dbraw/zinc/71/55/45/490715545.db2.gz ZAOAMKJBOGXOKS-UHFFFAOYSA-N 0 2 354.348 0.328 20 5 FCBDLN COC(=O)Cn1cnc(NS(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)n1 ZINC000542713390 490905412 /nfs/dbraw/zinc/90/54/12/490905412.db2.gz CGTYBWLSHMBAPQ-UHFFFAOYSA-N 0 2 369.359 0.777 20 5 FCBDLN O=C([O-])c1ccc(S(=O)(=O)N[C@H]2CCn3cc[nH+]c3C2)c([N+](=O)[O-])c1 ZINC000574210388 491481407 /nfs/dbraw/zinc/48/14/07/491481407.db2.gz JMOSGGDLRCOCCM-JTQLQIEISA-N 0 2 366.355 0.783 20 5 FCBDLN COC(=O)Cn1cnc(NS(=O)(=O)CCc2ccccc2[N+](=O)[O-])n1 ZINC000561781872 491630397 /nfs/dbraw/zinc/63/03/97/491630397.db2.gz HXMUERHMKBBPFU-UHFFFAOYSA-N 0 2 369.359 0.344 20 5 FCBDLN CCOC(=O)c1oc(NS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])nc1C ZINC000600668126 491874257 /nfs/dbraw/zinc/87/42/57/491874257.db2.gz LZUZHWCNTPKTBT-UHFFFAOYSA-N 0 2 359.320 0.602 20 5 FCBDLN Cc1ccc(S(=O)(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)[O-])c(C)c1[N+](=O)[O-] ZINC000598585196 492105574 /nfs/dbraw/zinc/10/55/74/492105574.db2.gz XXNJKBFSZJPJHW-NSHDSACASA-N 0 2 368.371 0.909 20 5 FCBDLN Cc1ccc(S(=O)(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)[O-])c(C)c1[N+](=O)[O-] ZINC000598585196 492105575 /nfs/dbraw/zinc/10/55/75/492105575.db2.gz XXNJKBFSZJPJHW-NSHDSACASA-N 0 2 368.371 0.909 20 5 FCBDLN COC(=O)[C@@H]1CC[C@H](C(=O)OC)N(C(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000600329023 492261329 /nfs/dbraw/zinc/26/13/29/492261329.db2.gz OCPCYCTWWDXOGD-BXKDBHETSA-N 0 2 366.326 0.867 20 5 FCBDLN C[C@H](NC(=O)c1ccc(NC[C@H]2C[N@H+](C)CCO2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000736657996 599967544 /nfs/dbraw/zinc/96/75/44/599967544.db2.gz XNFHNLTYBXCBIT-JQWIXIFHSA-N 0 2 366.374 0.540 20 5 FCBDLN C[C@H](NC(=O)c1ccc(NC[C@H]2C[N@@H+](C)CCO2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000736657996 599967548 /nfs/dbraw/zinc/96/75/48/599967548.db2.gz XNFHNLTYBXCBIT-JQWIXIFHSA-N 0 2 366.374 0.540 20 5 FCBDLN CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CN(C(=O)c2cc(C(F)(F)F)[nH]n2)C1 ZINC000954240826 674492783 /nfs/dbraw/zinc/49/27/83/674492783.db2.gz YEHBCDAVGLBZJL-VXNVDRBHSA-N 0 2 361.280 0.377 20 5 FCBDLN Cc1cc(N2CC[NH+](CC(=O)N(C)C)CC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000832891192 602313039 /nfs/dbraw/zinc/31/30/39/602313039.db2.gz NXCXWILGCDMEOP-UHFFFAOYSA-N 0 2 350.375 0.812 20 5 FCBDLN Cc1cc(N2CC[NH+](C(C)(C)C(N)=O)CC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000832891532 602323340 /nfs/dbraw/zinc/32/33/40/602323340.db2.gz XNGLUXFJDSUSTE-UHFFFAOYSA-N 0 2 350.375 0.987 20 5 FCBDLN CS(=O)(=O)CC[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)CC1 ZINC000731837604 666841279 /nfs/dbraw/zinc/84/12/79/666841279.db2.gz DCSQFUGDOCFHPK-UHFFFAOYSA-N 0 2 371.415 0.539 20 5 FCBDLN Cc1cc(C(=O)NCC(=O)NCCc2n[nH]c(=S)o2)ccc1[N+](=O)[O-] ZINC000789924177 668867449 /nfs/dbraw/zinc/86/74/49/668867449.db2.gz VORNOAFBESHIOF-UHFFFAOYSA-N 0 2 365.371 0.664 20 5 FCBDLN CS(C)(=O)=NS(=O)(=O)Nc1cc([N+](=O)[O-])ccc1NCCO ZINC000821140524 669160461 /nfs/dbraw/zinc/16/04/61/669160461.db2.gz XSRRPENRDNYZQP-UHFFFAOYSA-N 0 2 352.394 0.383 20 5 FCBDLN CC(C)(C)OC(=O)NC[C@@H](O)CNC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000854713789 671596604 /nfs/dbraw/zinc/59/66/04/671596604.db2.gz SAIDAUZTGBTXNI-JTQLQIEISA-N 0 2 355.347 0.916 20 5 FCBDLN CC(C)CC(=O)N1CCC(CN2CC(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CC1 ZINC001030292561 1196621437 /nfs/dbraw/zinc/62/14/37/1196621437.db2.gz OLXWSGPMBUNAOK-HZPDHXFCSA-N 0 2 366.462 0.737 20 5 FCBDLN Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)Cn1[nH]cc3c(=O)ncnc1-3)CC2 ZINC000773995687 1206423207 /nfs/dbraw/zinc/42/32/07/1206423207.db2.gz ZLXCUWDWCGJZBT-UHFFFAOYSA-N 0 2 354.326 0.877 20 5 FCBDLN O=C(NC1CCN(C(=O)c2cccc3n[nH]cc32)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000947670333 1212062602 /nfs/dbraw/zinc/06/26/02/1212062602.db2.gz JZHWIRUSYBBCRY-IUODEOHRSA-N 0 2 357.370 0.949 20 5 FCBDLN O=C(NCC1=CCN(C(=O)c2cccc3nn[nH]c32)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001017440445 1214095397 /nfs/dbraw/zinc/09/53/97/1214095397.db2.gz HRMQAVAFFWILET-TZMCWYRMSA-N 0 2 370.369 0.512 20 5 FCBDLN Cn1c(=O)[nH]c(SCc2ccc([N+](=O)[O-])cc2)c(-c2nn[nH]n2)c1=O ZINC001581748740 1280451902 /nfs/dbraw/zinc/45/19/02/1280451902.db2.gz RXNFERCMQAFGOE-UHFFFAOYSA-N 0 2 361.343 0.454 20 5 FCBDLN Cn1cc(Cn2c(=O)c(-c3nn[nH]n3)ccc2C(F)(F)F)c([N+](=O)[O-])n1 ZINC001581773865 1280492835 /nfs/dbraw/zinc/49/28/35/1280492835.db2.gz YBDJWVQYFKNDHG-UHFFFAOYSA-N 0 2 370.251 0.737 20 5 FCBDLN COC(=O)c1cc(-c2nn[nH]n2)c(=O)n(CCc2ccc([N+](=O)[O-])cc2)c1 ZINC001609301782 1289074535 /nfs/dbraw/zinc/07/45/35/1289074535.db2.gz BDCUZPUXDBQPJH-UHFFFAOYSA-N 0 2 370.325 0.966 20 5 FCBDLN Cc1cc(NCC[N@@H+](C)CCS(C)(=O)=O)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600281151 1286467373 /nfs/dbraw/zinc/46/73/73/1286467373.db2.gz RJTSXDQOMZBJAD-UHFFFAOYSA-N 0 2 359.404 0.990 20 5 FCBDLN Cc1cc(NCC[N@H+](C)CCS(C)(=O)=O)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600281151 1286467378 /nfs/dbraw/zinc/46/73/78/1286467378.db2.gz RJTSXDQOMZBJAD-UHFFFAOYSA-N 0 2 359.404 0.990 20 5 FCBDLN COC(=O)[C@@H](CC(=O)[O-])OC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001606501838 1288344573 /nfs/dbraw/zinc/34/45/73/1288344573.db2.gz PNKDFCWBUDVXCD-GFCCVEGCSA-N 0 2 363.282 0.954 20 5 FCBDLN O=c1[nH]nc([C@@H]2CCCN(c3cccc(-c4nn[nH]n4)c3[N+](=O)[O-])C2)[nH]1 ZINC001609605171 1289260304 /nfs/dbraw/zinc/26/03/04/1289260304.db2.gz MEZYSDMWRSCEHO-MRVPVSSYSA-N 0 2 357.334 0.983 20 5 FCBDLN C[C@@H]1C[N@H+](CCC(=O)[O-])CCN1S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC001609875990 1289323780 /nfs/dbraw/zinc/32/37/80/1289323780.db2.gz YHASYCPNIXBIQR-SNVBAGLBSA-N 0 2 358.376 0.159 20 5 FCBDLN C[C@@H]1C[N@@H+](CCC(=O)[O-])CCN1S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC001609875990 1289323787 /nfs/dbraw/zinc/32/37/87/1289323787.db2.gz YHASYCPNIXBIQR-SNVBAGLBSA-N 0 2 358.376 0.159 20 5 FCBDLN CSc1nc(Cl)c([N+](=O)[O-])c(Nc2c(O)[nH]c(=O)[nH]c2=S)n1 ZINC001160848671 850205425 /nfs/dbraw/zinc/20/54/25/850205425.db2.gz ZKIQXFPOEIVFAB-REOHCLBHSA-N 0 2 362.780 0.707 20 5 FCBDLN C[S@](=O)CC[NH+]1CCN(c2ccc(CC(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC001262497240 858964008 /nfs/dbraw/zinc/96/40/08/858964008.db2.gz BIXQYGZCINKKQD-DEOSSOPVSA-N 0 2 355.416 0.722 20 5 FCBDLN CNC(=O)Cn1cnc(NS(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])n1 ZINC000277223024 212341793 /nfs/dbraw/zinc/34/17/93/212341793.db2.gz IFGRVCUCQSQMCB-UHFFFAOYSA-N 0 2 368.375 0.350 20 5 FCBDLN CCS(=O)(=O)NC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2O)CC1 ZINC000272403227 211541707 /nfs/dbraw/zinc/54/17/07/211541707.db2.gz XMLOFTNFPYJKPF-UHFFFAOYSA-N 0 2 357.388 0.844 20 5 FCBDLN O=C(c1ccc(=O)[nH]c1)N1CCN(C(=O)c2cc([N+](=O)[O-])ccc2O)CC1 ZINC000436669300 248046084 /nfs/dbraw/zinc/04/60/84/248046084.db2.gz JLVAKIXFXJQKRP-UHFFFAOYSA-N 0 2 372.337 0.999 20 5 FCBDLN O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC000436978912 248057227 /nfs/dbraw/zinc/05/72/27/248057227.db2.gz WUXXOXDVWGWWKM-CQSZACIVSA-N 0 2 365.386 0.864 20 5 FCBDLN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)[O-] ZINC000323919793 488904423 /nfs/dbraw/zinc/90/44/23/488904423.db2.gz UZFOYYIOQKJKIE-NSHDSACASA-N 0 2 354.344 0.601 20 5 FCBDLN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)[O-] ZINC000323919793 488904426 /nfs/dbraw/zinc/90/44/26/488904426.db2.gz UZFOYYIOQKJKIE-NSHDSACASA-N 0 2 354.344 0.601 20 5 FCBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC000279472688 488945448 /nfs/dbraw/zinc/94/54/48/488945448.db2.gz LXUNKEXJWLHZGF-LBPRGKRZSA-N 0 2 369.399 0.941 20 5 FCBDLN NS(=O)(=O)c1ccc(CCNC(=O)c2ccc([N+](=O)[O-])c(O)c2)cc1 ZINC000017127236 487595587 /nfs/dbraw/zinc/59/55/87/487595587.db2.gz URABBPUKZVIPSM-UHFFFAOYSA-N 0 2 365.367 0.920 20 5 FCBDLN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cnn(CC(=O)N(C)C)c1 ZINC000066585092 488332331 /nfs/dbraw/zinc/33/23/31/488332331.db2.gz UAFSVGIBBHGYDA-UHFFFAOYSA-N 0 2 367.387 0.989 20 5 FCBDLN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[NH+]([C@@H](C)C(=O)[O-])CC1 ZINC000261764191 488535207 /nfs/dbraw/zinc/53/52/07/488535207.db2.gz WDKDGMMSOLCLIN-NSHDSACASA-N 0 2 357.388 0.683 20 5 FCBDLN CN(C(=O)c1cc([N+](=O)[O-])ccc1O)C1CCN(S(C)(=O)=O)CC1 ZINC000272370526 488576305 /nfs/dbraw/zinc/57/63/05/488576305.db2.gz HALCJCZWZMOFNL-UHFFFAOYSA-N 0 2 357.388 0.796 20 5 FCBDLN Cc1cc(N2CC[C@@H](NC(=O)c3ccc([N+](=O)[O-])cc3O)C2=O)n(C)n1 ZINC000274641563 488724641 /nfs/dbraw/zinc/72/46/41/488724641.db2.gz AGXOPBCKJZDJJV-GFCCVEGCSA-N 0 2 359.342 0.878 20 5 FCBDLN CC(C)NC(=O)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1 ZINC000298288426 489312048 /nfs/dbraw/zinc/31/20/48/489312048.db2.gz BSBJPJZOTNHMEW-UHFFFAOYSA-N 0 2 364.358 0.109 20 5 FCBDLN C[C@@]1(C[C@H]2CCCN2C(=O)c2cccc(O)c2[N+](=O)[O-])NC(=O)NC1=O ZINC000286275566 489375508 /nfs/dbraw/zinc/37/55/08/489375508.db2.gz QTMAKZLDYWKMKA-ABKXIKBNSA-N 0 2 362.342 0.893 20 5 FCBDLN COC(=O)Cc1nnc(NS(=O)(=O)Cc2ccccc2[N+](=O)[O-])[nH]1 ZINC000460534979 489872361 /nfs/dbraw/zinc/87/23/61/489872361.db2.gz TVCNHJVXRFXQGA-UHFFFAOYSA-N 0 2 355.332 0.370 20 5 FCBDLN COC(=O)c1cc(S(=O)(=O)Nc2ccncc2[N+](=O)[O-])ccc1O ZINC000436593097 490008466 /nfs/dbraw/zinc/00/84/66/490008466.db2.gz AAKJFRSVNGWQGN-UHFFFAOYSA-N 0 2 353.312 0.705 20 5 FCBDLN CCn1cc([N+](=O)[O-])c(C(=O)Nc2cc(S(=O)(=O)NC)ccc2O)n1 ZINC000436614991 490010313 /nfs/dbraw/zinc/01/03/13/490010313.db2.gz BXHPTQRBXWGDBL-UHFFFAOYSA-N 0 2 369.359 0.677 20 5 FCBDLN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436822734 490013642 /nfs/dbraw/zinc/01/36/42/490013642.db2.gz QKNHFQSTYPWFSU-IUCAKERBSA-N 0 2 353.331 0.487 20 5 FCBDLN CNS(=O)(=O)c1cc(NC(=O)c2c([N+](=O)[O-])c(C)nn2C)ccc1O ZINC000509050090 490383760 /nfs/dbraw/zinc/38/37/60/490383760.db2.gz BPMBTXYIWVGGIY-UHFFFAOYSA-N 0 2 369.359 0.503 20 5 FCBDLN Cn1nnc(CNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])n1 ZINC000486827987 490675049 /nfs/dbraw/zinc/67/50/49/490675049.db2.gz RXUSMHITJRSTTL-UHFFFAOYSA-N 0 2 367.174 0.904 20 5 FCBDLN COCc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000539853158 490798292 /nfs/dbraw/zinc/79/82/92/490798292.db2.gz DHDRSEHERIGNHR-UHFFFAOYSA-N 0 2 368.371 0.979 20 5 FCBDLN Cc1cc(N(C)C[C@H](O)C[NH+]2CCOCC2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000573092873 491412277 /nfs/dbraw/zinc/41/22/77/491412277.db2.gz FFCAWWRRXQJAIB-LBPRGKRZSA-N 0 2 353.375 0.731 20 5 FCBDLN COCc1nnc(CN2C(=O)N[C@@](C)(c3cccc([N+](=O)[O-])c3)C2=O)[nH]1 ZINC000600697217 491877125 /nfs/dbraw/zinc/87/71/25/491877125.db2.gz BPEBTMSUWDDLHE-HNNXBMFYSA-N 0 2 360.330 0.827 20 5 FCBDLN C[C@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2O)C(=O)N1c1cnn(C)c1 ZINC000613978241 492007387 /nfs/dbraw/zinc/00/73/87/492007387.db2.gz BVZSPNLYVVISIV-TVQRCGJNSA-N 0 2 359.342 0.958 20 5 FCBDLN O=C(NCC[NH+]1CCN(c2ncccn2)CC1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000604102705 492050594 /nfs/dbraw/zinc/05/05/94/492050594.db2.gz ONMFQYXGSKIPQP-UHFFFAOYSA-N 0 2 372.385 0.642 20 5 FCBDLN C[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2O)C(=O)N1c1cnn(C)c1 ZINC000611535410 492289839 /nfs/dbraw/zinc/28/98/39/492289839.db2.gz NRZZZADNUYWEAB-NOZJJQNGSA-N 0 2 359.342 0.958 20 5 FCBDLN COC(=O)Cn1cnc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000437307570 536386910 /nfs/dbraw/zinc/38/69/10/536386910.db2.gz RRFBEYIPACYSEM-UHFFFAOYSA-N 0 2 355.332 0.469 20 5 FCBDLN COCc1nnc(CNS(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])[nH]1 ZINC000594827872 547015395 /nfs/dbraw/zinc/01/53/95/547015395.db2.gz OTGGQXFCUBLCOK-UHFFFAOYSA-N 0 2 355.376 0.955 20 5 FCBDLN CCn1cc(-c2nn[nH]n2)c(=O)n(Cc2c(F)cccc2[N+](=O)[O-])c1=O ZINC000736714923 598733302 /nfs/dbraw/zinc/73/33/02/598733302.db2.gz WTFSAGWIKFDMFC-UHFFFAOYSA-N 0 2 361.293 0.306 20 5 FCBDLN CCn1nncc1C[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@@]2(C)C1 ZINC000982278686 1186694867 /nfs/dbraw/zinc/69/48/67/1186694867.db2.gz OOOZBUDFVZIWSG-SRABZTEZSA-N 0 2 362.434 0.634 20 5 FCBDLN Cc1ccc2n[nH]c(C(=O)N3CCN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])CC3)c2c1 ZINC001011112422 1213828871 /nfs/dbraw/zinc/82/88/71/1213828871.db2.gz KPOUXNFSIJULHQ-TZMCWYRMSA-N 0 2 357.370 0.821 20 5 FCBDLN O=C(c1c[nH]c2ccccc2c1=O)N1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001011112783 1213829035 /nfs/dbraw/zinc/82/90/35/1213829035.db2.gz JTEJZCYPBBVZEL-IUODEOHRSA-N 0 2 370.365 0.478 20 5 FCBDLN O=C(NCc1ccc(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1F)c1ncn[nH]1 ZINC001017791274 1214150135 /nfs/dbraw/zinc/15/01/35/1214150135.db2.gz WNMNQQCRXUPKKY-ZYHUDNBSSA-N 0 2 362.321 0.155 20 5 FCBDLN O=C(NCc1ccc(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1F)c1nc[nH]n1 ZINC001017791274 1214150139 /nfs/dbraw/zinc/15/01/39/1214150139.db2.gz WNMNQQCRXUPKKY-ZYHUDNBSSA-N 0 2 362.321 0.155 20 5 FCBDLN O=[N+]([O-])c1cccnc1S(=O)(=O)NC1(Cc2cn[nH]n2)CCOCC1 ZINC001578051798 1275345959 /nfs/dbraw/zinc/34/59/59/1275345959.db2.gz SRDRDMWEAUENHF-UHFFFAOYSA-N 0 2 368.375 0.178 20 5 FCBDLN O=[N+]([O-])c1cccnc1S(=O)(=O)NC1(Cc2c[nH]nn2)CCOCC1 ZINC001578051798 1275345966 /nfs/dbraw/zinc/34/59/66/1275345966.db2.gz SRDRDMWEAUENHF-UHFFFAOYSA-N 0 2 368.375 0.178 20 5 FCBDLN Cn1nnc(C(=O)Nc2cc(-c3nn[nH]n3)cc([N+](=O)[O-])c2Cl)n1 ZINC001581844775 1280598698 /nfs/dbraw/zinc/59/86/98/1280598698.db2.gz JJTZSHIFWJPBCF-UHFFFAOYSA-N 0 2 350.686 0.204 20 5 FCBDLN Cc1c(-c2nn[nH]n2)nn(-c2ccccc2)c1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001591800272 1284915202 /nfs/dbraw/zinc/91/52/02/1284915202.db2.gz ZGQNJWPSEOEFRV-GHMZBOCLSA-N 0 2 354.330 0.965 20 5 FCBDLN Cc1c(-c2nn[nH]n2)nn(-c2ccccc2)c1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001591800272 1284915214 /nfs/dbraw/zinc/91/52/14/1284915214.db2.gz ZGQNJWPSEOEFRV-GHMZBOCLSA-N 0 2 354.330 0.965 20 5 FCBDLN Cc1ccc(CNc2[nH]c(=O)n(C)c(=O)c2-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001592165671 1285168573 /nfs/dbraw/zinc/16/85/73/1285168573.db2.gz BILWTXUDEFTJJZ-UHFFFAOYSA-N 0 2 358.318 0.495 20 5 FCBDLN Cn1c(=O)[nH]c(Oc2cc(Cl)ccc2[N+](=O)[O-])c(-c2nn[nH]n2)c1=O ZINC001592545199 1285453480 /nfs/dbraw/zinc/45/34/80/1285453480.db2.gz OJMYWWSOOVIJGV-UHFFFAOYSA-N 0 2 365.693 0.608 20 5 FCBDLN CCn1cc(-c2nn[nH]n2)c(=O)n(Cc2cccc([N+](=O)[O-])c2C)c1=O ZINC001609257994 1289022716 /nfs/dbraw/zinc/02/27/16/1289022716.db2.gz NRDBKPOSMRODPT-UHFFFAOYSA-N 0 2 357.330 0.475 20 5 FCBDLN O=c1[nH]cc(-c2nn[nH]n2)c(=O)n1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC001593489474 1286177491 /nfs/dbraw/zinc/17/74/91/1286177491.db2.gz PBCSGNLKKLYNHL-UHFFFAOYSA-N 0 2 351.229 0.364 20 5 FCBDLN Cn1ccnc1[C@@H]([NH2+]CCn1cc(C(=O)[O-])nn1)c1ccc([N+](=O)[O-])cc1 ZINC001600984028 1286588787 /nfs/dbraw/zinc/58/87/87/1286588787.db2.gz UVELEEZKPCXHDI-AWEZNQCLSA-N 0 2 371.357 0.997 20 5 FCBDLN Cc1cc(Oc2[nH]c(=O)n(C)c(=O)c2-c2nn[nH]n2)c(F)cc1[N+](=O)[O-] ZINC001605749919 1288070936 /nfs/dbraw/zinc/07/09/36/1288070936.db2.gz LLFVUHBJRPSDHW-UHFFFAOYSA-N 0 2 363.265 0.402 20 5 FCBDLN COC(=O)[C@@H]1C[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1C(=O)[O-] ZINC001606430146 1288311495 /nfs/dbraw/zinc/31/14/95/1288311495.db2.gz MYLMOYGBVUBPMI-NXEZZACHSA-N 0 2 351.315 0.339 20 5 FCBDLN COC(=O)[C@@H]1C[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1C(=O)[O-] ZINC001606430146 1288311506 /nfs/dbraw/zinc/31/15/06/1288311506.db2.gz MYLMOYGBVUBPMI-NXEZZACHSA-N 0 2 351.315 0.339 20 5 FCBDLN O=c1[nH]nc(C2CCN(c3cc(-c4nn[nH]n4)ccc3[N+](=O)[O-])CC2)[nH]1 ZINC001609605305 1289260627 /nfs/dbraw/zinc/26/06/27/1289260627.db2.gz UNUNKSNCTXKIDZ-UHFFFAOYSA-N 0 2 357.334 0.983 20 5 FCBDLN CN(C[C@@H](O)C[NH+]1CCOCC1)c1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC001118222236 847330228 /nfs/dbraw/zinc/33/02/28/847330228.db2.gz UBCDBHARLQPBHO-CYBMUJFWSA-N 0 2 353.375 0.351 20 5 FCBDLN C[N@H+](Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])[C@H]1CCN(S(C)(=O)=O)C1 ZINC001598506586 992511272 /nfs/dbraw/zinc/51/12/72/992511272.db2.gz DFBOEUGRGFHIMW-LBPRGKRZSA-N 0 2 357.388 0.759 20 5 FCBDLN C[N@@H+](Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])[C@H]1CCN(S(C)(=O)=O)C1 ZINC001598506586 992511281 /nfs/dbraw/zinc/51/12/81/992511281.db2.gz DFBOEUGRGFHIMW-LBPRGKRZSA-N 0 2 357.388 0.759 20 5 FCBDLN C[N@@H+](Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1)C[C@H]1CCS(=O)(=O)C1 ZINC001598519760 992664426 /nfs/dbraw/zinc/66/44/26/992664426.db2.gz DPBPGRQJBCHEFH-GFCCVEGCSA-N 0 2 372.399 0.925 20 5 FCBDLN C[N@H+](Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1)C[C@H]1CCS(=O)(=O)C1 ZINC001598519760 992664428 /nfs/dbraw/zinc/66/44/28/992664428.db2.gz DPBPGRQJBCHEFH-GFCCVEGCSA-N 0 2 372.399 0.925 20 5 FCBDLN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1C[C@H](O)C[C@H](C(=O)[O-])C1 ZINC001599622518 994103781 /nfs/dbraw/zinc/10/37/81/994103781.db2.gz QYWIZMPEUSAKAU-JBLDHEPKSA-N 0 2 367.358 0.698 20 5 FCBDLN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1C[C@H](O)C[C@H](C(=O)[O-])C1 ZINC001599622518 994103783 /nfs/dbraw/zinc/10/37/83/994103783.db2.gz QYWIZMPEUSAKAU-JBLDHEPKSA-N 0 2 367.358 0.698 20 5 FCBDLN Cc1ccc(C)c(S(=O)(=O)N[C@H](Cc2c[nH+]c[nH]2)C(=O)[O-])c1[N+](=O)[O-] ZINC000277305917 212348649 /nfs/dbraw/zinc/34/86/49/212348649.db2.gz SLXUOHOJGRIJEZ-LLVKDONJSA-N 0 2 368.371 0.909 20 5 FCBDLN Cc1ccc(C)c(S(=O)(=O)N[C@H](Cc2c[nH]c[nH+]2)C(=O)[O-])c1[N+](=O)[O-] ZINC000277305917 212348650 /nfs/dbraw/zinc/34/86/50/212348650.db2.gz SLXUOHOJGRIJEZ-LLVKDONJSA-N 0 2 368.371 0.909 20 5 FCBDLN Cc1cc(C)c(S(=O)(=O)N[C@H](Cc2c[nH+]c[nH]2)C(=O)[O-])cc1[N+](=O)[O-] ZINC000276908851 212306238 /nfs/dbraw/zinc/30/62/38/212306238.db2.gz NAPKRHZIMPVYRI-LLVKDONJSA-N 0 2 368.371 0.909 20 5 FCBDLN Cc1cc(C)c(S(=O)(=O)N[C@H](Cc2c[nH]c[nH+]2)C(=O)[O-])cc1[N+](=O)[O-] ZINC000276908851 212306240 /nfs/dbraw/zinc/30/62/40/212306240.db2.gz NAPKRHZIMPVYRI-LLVKDONJSA-N 0 2 368.371 0.909 20 5 FCBDLN CCS(=O)(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)[C@H](C)C1 ZINC000436788561 248050865 /nfs/dbraw/zinc/05/08/65/248050865.db2.gz HHHQGDJVKGLHLY-SNVBAGLBSA-N 0 2 357.388 0.796 20 5 FCBDLN COC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000436987722 248056386 /nfs/dbraw/zinc/05/63/86/248056386.db2.gz VNSUEGTZNNXIAM-NSHDSACASA-N 0 2 351.359 0.915 20 5 FCBDLN COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000436987722 248056390 /nfs/dbraw/zinc/05/63/90/248056390.db2.gz VNSUEGTZNNXIAM-NSHDSACASA-N 0 2 351.359 0.915 20 5 FCBDLN COC(=O)Cn1cnc(NS(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])n1 ZINC000437306952 248062156 /nfs/dbraw/zinc/06/21/56/248062156.db2.gz QFEWYIOPYIYIEL-UHFFFAOYSA-N 0 2 369.359 0.777 20 5 FCBDLN CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCc1n[nH]c(=O)[nH]1 ZINC000439838557 248143936 /nfs/dbraw/zinc/14/39/36/248143936.db2.gz DDYWLBYBUVBWBQ-UHFFFAOYSA-N 0 2 350.291 0.072 20 5 FCBDLN O=C(NCCCn1nc2n(c1=O)CCCC2)c1cc([N+](=O)[O-])ccc1O ZINC000271306644 211375790 /nfs/dbraw/zinc/37/57/90/211375790.db2.gz UJHVRNJXXKVSKZ-UHFFFAOYSA-N 0 2 361.358 0.815 20 5 FCBDLN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1cnn(CC(N)=O)c1 ZINC000481961310 250373452 /nfs/dbraw/zinc/37/34/52/250373452.db2.gz FPKAXVDNSSBNGZ-UHFFFAOYSA-N 0 2 353.360 0.694 20 5 FCBDLN Cc1cc(N2CC[C@H](NC(=O)c3ccc([N+](=O)[O-])c(O)c3)C2=O)n(C)n1 ZINC000266472336 210341817 /nfs/dbraw/zinc/34/18/17/210341817.db2.gz JMOKGTBGQUKESH-NSHDSACASA-N 0 2 359.342 0.878 20 5 FCBDLN O=c1[nH]nc(CNc2cnn(-c3ccc([N+](=O)[O-])cc3)c(=O)c2Cl)[nH]1 ZINC000301757399 488883124 /nfs/dbraw/zinc/88/31/24/488883124.db2.gz DYQYVANZVZLONZ-UHFFFAOYSA-N 0 2 363.721 0.818 20 5 FCBDLN COCCO[C@@H]1C[C@@H](CO)CN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000278761960 488894171 /nfs/dbraw/zinc/89/41/71/488894171.db2.gz VHLOHSOEBICPPO-DGCLKSJQSA-N 0 2 354.359 0.786 20 5 FCBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)[O-] ZINC000327272647 488918958 /nfs/dbraw/zinc/91/89/58/488918958.db2.gz GTLZUBWYJLXFFX-SNVBAGLBSA-N 0 2 370.343 0.301 20 5 FCBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)[O-] ZINC000327272647 488918961 /nfs/dbraw/zinc/91/89/61/488918961.db2.gz GTLZUBWYJLXFFX-SNVBAGLBSA-N 0 2 370.343 0.301 20 5 FCBDLN CNC(=O)Cn1cc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cn1 ZINC000055641163 488245486 /nfs/dbraw/zinc/24/54/86/488245486.db2.gz LEQMXRTUCCPWSM-UHFFFAOYSA-N 0 2 353.360 0.647 20 5 FCBDLN CC(C)NC(=O)CN1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1 ZINC000068371334 488364453 /nfs/dbraw/zinc/36/44/53/488364453.db2.gz FCKCWMHEKVEGHZ-UHFFFAOYSA-N 0 2 350.375 0.583 20 5 FCBDLN C[C@H](C(=O)[O-])[N@H+](C)CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000269306620 488489776 /nfs/dbraw/zinc/48/97/76/488489776.db2.gz TYZHLNWXQWULOJ-GFCCVEGCSA-N 0 2 350.375 0.648 20 5 FCBDLN C[C@H](C(=O)[O-])[N@@H+](C)CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000269306620 488489778 /nfs/dbraw/zinc/48/97/78/488489778.db2.gz TYZHLNWXQWULOJ-GFCCVEGCSA-N 0 2 350.375 0.648 20 5 FCBDLN COCCN(C(=O)c1ccc([N+](=O)[O-])c(O)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000269421053 488501586 /nfs/dbraw/zinc/50/15/86/488501586.db2.gz VWMPCELQEJDNOI-LLVKDONJSA-N 0 2 358.372 0.576 20 5 FCBDLN COC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000272385507 488577140 /nfs/dbraw/zinc/57/71/40/488577140.db2.gz JYWJRFRCMCRLCC-LBPRGKRZSA-N 0 2 367.358 0.734 20 5 FCBDLN CN(C(=O)c1ccc([N+](=O)[O-])cc1O)C1CCN(S(C)(=O)=O)CC1 ZINC000274864706 488738714 /nfs/dbraw/zinc/73/87/14/488738714.db2.gz WJQCCSIQODQHRE-UHFFFAOYSA-N 0 2 357.388 0.796 20 5 FCBDLN C[C@]1(C[C@@H]2CCCN2C(=O)c2cc([N+](=O)[O-])ccc2O)NC(=O)NC1=O ZINC000286136872 489359914 /nfs/dbraw/zinc/35/99/14/489359914.db2.gz HQCPZLPBOZUDGB-MGPLVRAMSA-N 0 2 362.342 0.893 20 5 FCBDLN O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21 ZINC000361911270 489368125 /nfs/dbraw/zinc/36/81/25/489368125.db2.gz SCZOGDSAMARNJQ-KYOSRNDESA-N 0 2 361.354 0.305 20 5 FCBDLN C[C@@]1(C[C@@H]2CCCN2C(=O)c2cccc(O)c2[N+](=O)[O-])NC(=O)NC1=O ZINC000286275570 489375535 /nfs/dbraw/zinc/37/55/35/489375535.db2.gz QTMAKZLDYWKMKA-FVMDXXJSSA-N 0 2 362.342 0.893 20 5 FCBDLN COC(=O)CN1CCC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000436607290 490009910 /nfs/dbraw/zinc/00/99/10/490009910.db2.gz OPBYERRPZFBSCK-NSHDSACASA-N 0 2 351.359 0.915 20 5 FCBDLN NS(=O)(=O)c1ccccc1CNC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436738971 490012040 /nfs/dbraw/zinc/01/20/40/490012040.db2.gz MPYNNGAXHVPDTJ-UHFFFAOYSA-N 0 2 351.340 0.878 20 5 FCBDLN COC(=O)[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2O)[C@@H]1C(=O)OC ZINC000436901092 490014781 /nfs/dbraw/zinc/01/47/81/490014781.db2.gz PUSQEXDKOBZIDU-AAEUAGOBSA-N 0 2 366.326 0.867 20 5 FCBDLN CNC(=O)Cn1cc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)cn1 ZINC000466961483 490234948 /nfs/dbraw/zinc/23/49/48/490234948.db2.gz LBWCCIQZHVGMKF-UHFFFAOYSA-N 0 2 359.389 0.708 20 5 FCBDLN COCc1nc(S(=O)(=O)CCC(=O)Nc2ccccc2[N+](=O)[O-])n[nH]1 ZINC000507711146 490255751 /nfs/dbraw/zinc/25/57/51/490255751.db2.gz UADIAXAADGHSBH-UHFFFAOYSA-N 0 2 369.359 0.662 20 5 FCBDLN COc1ccc(S(=O)(=O)Nc2cnn(CC(N)=O)c2)c([N+](=O)[O-])c1 ZINC000603983231 492048569 /nfs/dbraw/zinc/04/85/69/492048569.db2.gz OUALUFLVVFRGBK-UHFFFAOYSA-N 0 2 355.332 0.086 20 5 FCBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCN(S(=O)(=O)C2CC2)CC1 ZINC000600229868 492251005 /nfs/dbraw/zinc/25/10/05/492251005.db2.gz WGWPXWIRPQCGKE-UHFFFAOYSA-N 0 2 355.372 0.550 20 5 FCBDLN COC(=O)[C@H]1CC[C@H](C(=O)OC)CN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000600319347 492259683 /nfs/dbraw/zinc/25/96/83/492259683.db2.gz HXOWJDCQAHZDQP-CMPLNLGQSA-N 0 2 366.326 0.867 20 5 FCBDLN COC(=O)[C@@H]1CC[C@@H](C(=O)OC)N(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000600319349 492259806 /nfs/dbraw/zinc/25/98/06/492259806.db2.gz HXOWJDCQAHZDQP-PWSUYJOCSA-N 0 2 366.326 0.867 20 5 FCBDLN COc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)[O-] ZINC000619470205 492264199 /nfs/dbraw/zinc/26/41/99/492264199.db2.gz TXXOMGBDCUPXIY-SECBINFHSA-N 0 2 370.343 0.301 20 5 FCBDLN COc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)[O-] ZINC000619470205 492264200 /nfs/dbraw/zinc/26/42/00/492264200.db2.gz TXXOMGBDCUPXIY-SECBINFHSA-N 0 2 370.343 0.301 20 5 FCBDLN CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000611294790 492285088 /nfs/dbraw/zinc/28/50/88/492285088.db2.gz RPDQTPLGECRFGV-GFCCVEGCSA-N 0 2 350.331 0.366 20 5 FCBDLN C[N@H+](CCN1CCCS1(=O)=O)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593740057 546990934 /nfs/dbraw/zinc/99/09/34/546990934.db2.gz OBJFOTVONTVGKK-UHFFFAOYSA-N 0 2 357.388 0.760 20 5 FCBDLN C[N@@H+](CCN1CCCS1(=O)=O)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593740057 546990937 /nfs/dbraw/zinc/99/09/37/546990937.db2.gz OBJFOTVONTVGKK-UHFFFAOYSA-N 0 2 357.388 0.760 20 5 FCBDLN CCc1ccc(S(=O)(=O)NCc2nnc(COC)[nH]2)cc1[N+](=O)[O-] ZINC000594827856 547014989 /nfs/dbraw/zinc/01/49/89/547014989.db2.gz OHGHOKAZAZHBQA-UHFFFAOYSA-N 0 2 355.376 0.900 20 5 FCBDLN C[C@@H]1C[N@H+](CCNc2ccc(C(=O)NCC(=O)[O-])cc2[N+](=O)[O-])CCO1 ZINC000736812073 599705916 /nfs/dbraw/zinc/70/59/16/599705916.db2.gz SHWSDRUGOODIEY-LLVKDONJSA-N 0 2 366.374 0.542 20 5 FCBDLN C[C@@H]1C[N@@H+](CCNc2ccc(C(=O)NCC(=O)[O-])cc2[N+](=O)[O-])CCO1 ZINC000736812073 599705919 /nfs/dbraw/zinc/70/59/19/599705919.db2.gz SHWSDRUGOODIEY-LLVKDONJSA-N 0 2 366.374 0.542 20 5 FCBDLN Cc1n[nH]c(C(F)(F)F)c1C(=O)N1CC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000991289920 666288003 /nfs/dbraw/zinc/28/80/03/666288003.db2.gz HXILFLKGVVTVSK-HTQZYQBOSA-N 0 2 361.280 0.343 20 5 FCBDLN Cn1nnc(CNS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)n1 ZINC000795956025 669073180 /nfs/dbraw/zinc/07/31/80/669073180.db2.gz DZPKUCFVZQZODR-UHFFFAOYSA-N 0 2 350.719 0.389 20 5 FCBDLN O=C(Cn1[nH]cc2c(=O)ncnc1-2)OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000791871349 1201165231 /nfs/dbraw/zinc/16/52/31/1201165231.db2.gz WOBZNDLFWWCJIQ-UHFFFAOYSA-N 0 2 374.269 0.631 20 5 FCBDLN Cc1nc2c(cccc2C(=O)N2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)[nH]1 ZINC001011115216 1213830555 /nfs/dbraw/zinc/83/05/55/1213830555.db2.gz YDQFHMLICJENCI-TZMCWYRMSA-N 0 2 357.370 0.821 20 5 FCBDLN CN1CC(C(=O)N[C@H]2CC[C@H](CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)=NC1=O ZINC000964006435 1214885143 /nfs/dbraw/zinc/88/51/43/1214885143.db2.gz ZWYHSLKVWGMVLK-PRULPYPASA-N 0 2 365.390 0.196 20 5 FCBDLN Cc1nc(CN2CCc3c(CNC(=O)[C@@H]4C[C@H]4[N+](=O)[O-])cccc3C2)n[nH]1 ZINC001051288973 1216426022 /nfs/dbraw/zinc/42/60/22/1216426022.db2.gz AOFOYBKDVWOYHV-HZPDHXFCSA-N 0 2 370.413 0.953 20 5 FCBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCN(C(=O)N2CCOCC2)CC1 ZINC001325725750 1264980203 /nfs/dbraw/zinc/98/02/03/1264980203.db2.gz XINSUMNOTMHHFO-UHFFFAOYSA-N 0 2 364.358 0.510 20 5 FCBDLN O=[N+]([O-])c1cnccc1NS(=O)(=O)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC001593487848 1286176608 /nfs/dbraw/zinc/17/66/08/1286176608.db2.gz SWQJHJHHEHGRHT-UHFFFAOYSA-N 0 2 365.306 0.532 20 5 FCBDLN O=c1[nH]nc([C@H]2CCCN(c3ccc(-c4nn[nH]n4)c([N+](=O)[O-])c3)C2)[nH]1 ZINC001593497748 1286181402 /nfs/dbraw/zinc/18/14/02/1286181402.db2.gz KWMRUXJVSYSHMZ-QMMMGPOBSA-N 0 2 357.334 0.983 20 5 FCBDLN O=c1[nH]nc([C@H]2CCCN(c3ccc([N+](=O)[O-])cc3-c3nn[nH]n3)C2)[nH]1 ZINC001593497926 1286181948 /nfs/dbraw/zinc/18/19/48/1286181948.db2.gz NQKPXYPCAUMDOB-QMMMGPOBSA-N 0 2 357.334 0.983 20 5 FCBDLN O=C([O-])c1cn([C@H]2CC[N@H+](CC(=O)Nc3ccccc3[N+](=O)[O-])C2)nn1 ZINC001601308565 1286719279 /nfs/dbraw/zinc/71/92/79/1286719279.db2.gz VOGSDIDIHLCZOC-JTQLQIEISA-N 0 2 360.330 0.770 20 5 FCBDLN O=C([O-])c1cn([C@H]2CC[N@@H+](CC(=O)Nc3ccccc3[N+](=O)[O-])C2)nn1 ZINC001601308565 1286719288 /nfs/dbraw/zinc/71/92/88/1286719288.db2.gz VOGSDIDIHLCZOC-JTQLQIEISA-N 0 2 360.330 0.770 20 5 FCBDLN O=C([O-])C[C@@H]1C(=O)NCCN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001601942705 1286881164 /nfs/dbraw/zinc/88/11/64/1286881164.db2.gz VPWNKOFYCXVLLP-CYBMUJFWSA-N 0 2 373.325 0.196 20 5 FCBDLN COC(=O)[C@H]1C[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1C(=O)[O-] ZINC001606430149 1288311402 /nfs/dbraw/zinc/31/14/02/1288311402.db2.gz MYLMOYGBVUBPMI-ZJUUUORDSA-N 0 2 351.315 0.339 20 5 FCBDLN COC(=O)[C@H]1C[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1C(=O)[O-] ZINC001606430149 1288311410 /nfs/dbraw/zinc/31/14/10/1288311410.db2.gz MYLMOYGBVUBPMI-ZJUUUORDSA-N 0 2 351.315 0.339 20 5 FCBDLN Nc1c([N+](=O)[O-])ccc(N2CCC[C@@H](c3nc[nH]n3)C2)c1-c1nn[nH]n1 ZINC001606451235 1288324476 /nfs/dbraw/zinc/32/44/76/1288324476.db2.gz HBGXPGUEUPPMJO-MRVPVSSYSA-N 0 2 356.350 0.859 20 5 FCBDLN Cc1c(NC(=O)C(=O)N2CC[NH+](C)CC2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001607535374 1288725774 /nfs/dbraw/zinc/72/57/74/1288725774.db2.gz PSGRFKIXFKLIHU-UHFFFAOYSA-N 0 2 350.331 0.314 20 5 FCBDLN O=C([O-])[C@H](Cn1cc[nH+]c1)NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC001608404251 1288835470 /nfs/dbraw/zinc/83/54/70/1288835470.db2.gz YASFOUAUXVRXAR-AWEZNQCLSA-N 0 2 370.325 0.860 20 5 FCBDLN O=C([O-])[C@H]1[C@@H](O)CCCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC001610733883 1289570331 /nfs/dbraw/zinc/57/03/31/1289570331.db2.gz XFKMETBHDGCJCH-UONOGXRCSA-N 0 2 360.326 0.831 20 5 FCBDLN C[C@H](Cn1cc[nH+]c1)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-] ZINC001592931276 979980768 /nfs/dbraw/zinc/98/07/68/979980768.db2.gz SNBWSTVYRXMJFT-SECBINFHSA-N 0 2 354.344 0.857 20 5 FCBDLN CC[NH+]1CCN(C(=O)C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2C)CC1 ZINC001596427503 984084772 /nfs/dbraw/zinc/08/47/72/984084772.db2.gz FMKMTEXAFCXMGT-UHFFFAOYSA-N 0 2 364.358 0.704 20 5 FCBDLN C[C@@H]1C[N@H+](CCC(=O)[O-])CCN1S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC001594528821 986106064 /nfs/dbraw/zinc/10/60/64/986106064.db2.gz SCSQLJFNDRXVBI-SNVBAGLBSA-N 0 2 358.376 0.159 20 5 FCBDLN C[C@@H]1C[N@@H+](CCC(=O)[O-])CCN1S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC001594528821 986106069 /nfs/dbraw/zinc/10/60/69/986106069.db2.gz SCSQLJFNDRXVBI-SNVBAGLBSA-N 0 2 358.376 0.159 20 5 FCBDLN CNC(=O)CN1CCC[N@H+](Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC001598642523 994335814 /nfs/dbraw/zinc/33/58/14/994335814.db2.gz KOIAWCNRDQLXDT-UHFFFAOYSA-N 0 2 350.375 0.547 20 5 FCBDLN CNC(=O)CN1CCC[N@@H+](Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC001598642523 994335824 /nfs/dbraw/zinc/33/58/24/994335824.db2.gz KOIAWCNRDQLXDT-UHFFFAOYSA-N 0 2 350.375 0.547 20 5 FCBDLN CN1C(=O)N[C@@]2(CCC[C@@H]2CNC(=O)c2cc(O)ccc2[N+](=O)[O-])C1=O ZINC000367527813 216134482 /nfs/dbraw/zinc/13/44/82/216134482.db2.gz SFGIUWOXVTZWHW-JDNHERCYSA-N 0 2 362.342 0.751 20 5 FCBDLN CC(C)NC(=O)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000273166486 211677488 /nfs/dbraw/zinc/67/74/88/211677488.db2.gz DCUIYOYMWGEKRO-UHFFFAOYSA-N 0 2 364.358 0.109 20 5 FCBDLN CCOC(=O)Cn1cnc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)n1 ZINC000424223070 247179581 /nfs/dbraw/zinc/17/95/81/247179581.db2.gz OFZMIDPUKCBYOH-UHFFFAOYSA-N 0 2 369.359 0.859 20 5 FCBDLN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1ccn(CC(N)=O)n1 ZINC000481983615 250372809 /nfs/dbraw/zinc/37/28/09/250372809.db2.gz SMFAPNNQGAHRGW-UHFFFAOYSA-N 0 2 353.360 0.694 20 5 FCBDLN CNC(=O)Cn1cnc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)n1 ZINC000266384097 210329296 /nfs/dbraw/zinc/32/92/96/210329296.db2.gz YNXSWGGMBLESNF-UHFFFAOYSA-N 0 2 354.348 0.042 20 5 FCBDLN Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1Nc1ncc([N+](=O)[O-])c(N)n1 ZINC000266250575 210310283 /nfs/dbraw/zinc/31/02/83/210310283.db2.gz MWMVWCHLXJYMNT-SECBINFHSA-N 0 2 367.391 0.884 20 5 FCBDLN O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000247226714 229279186 /nfs/dbraw/zinc/27/91/86/229279186.db2.gz CZHKXQAXODUYRH-GOEBONIOSA-N 0 2 353.423 0.196 20 5 FCBDLN O=C([O-])[C@H](Cc1c[nH+]c[nH]1)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000324627899 488906240 /nfs/dbraw/zinc/90/62/40/488906240.db2.gz SYFVKXWCAJMLBR-JTQLQIEISA-N 0 2 358.307 0.431 20 5 FCBDLN O=C([O-])[C@H](Cc1c[nH]c[nH+]1)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000324627899 488906241 /nfs/dbraw/zinc/90/62/41/488906241.db2.gz SYFVKXWCAJMLBR-JTQLQIEISA-N 0 2 358.307 0.431 20 5 FCBDLN COC(=O)Cn1cc(NS(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)cn1 ZINC000326603812 488916242 /nfs/dbraw/zinc/91/62/42/488916242.db2.gz JHGPDHBHEIPTHR-UHFFFAOYSA-N 0 2 370.343 0.774 20 5 FCBDLN CN1C(=O)N[C@@]2(CCC[C@@H]2CNC(=O)c2ccc([N+](=O)[O-])cc2O)C1=O ZINC000364361270 488951509 /nfs/dbraw/zinc/95/15/09/488951509.db2.gz NJRKUOZLSOHDBU-JDNHERCYSA-N 0 2 362.342 0.751 20 5 FCBDLN COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000032143712 487769350 /nfs/dbraw/zinc/76/93/50/487769350.db2.gz ZDIYDRWQQMDNJK-UHFFFAOYSA-N 0 2 354.344 0.842 20 5 FCBDLN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1cnn(CC(=O)N(C)C)c1 ZINC000066585120 488332104 /nfs/dbraw/zinc/33/21/04/488332104.db2.gz HWTKKBRGKABWLG-UHFFFAOYSA-N 0 2 367.387 0.989 20 5 FCBDLN COC(=O)Cn1ccc(NS(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)n1 ZINC000067899423 488357868 /nfs/dbraw/zinc/35/78/68/488357868.db2.gz YIFXPQZRLZIGCW-UHFFFAOYSA-N 0 2 370.343 0.774 20 5 FCBDLN CC(C)OCCS(=O)(=O)NCC(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000271497073 488522814 /nfs/dbraw/zinc/52/28/14/488522814.db2.gz KSUUTWKSJZPGAX-UHFFFAOYSA-N 0 2 361.376 0.583 20 5 FCBDLN O=C(c1c[nH]c2nc(=O)[nH]c(=O)c-2c1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000119672163 488558058 /nfs/dbraw/zinc/55/80/58/488558058.db2.gz SEVNVHWIVDLIBP-UHFFFAOYSA-N 0 2 367.321 0.718 20 5 FCBDLN CC(=O)N1CC[NH+](CCNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000563185116 491225658 /nfs/dbraw/zinc/22/56/58/491225658.db2.gz YRFJEQXOPCYYQW-UHFFFAOYSA-N 0 2 370.793 0.848 20 5 FCBDLN Cn1cc([C@@H]2C[S@@](=O)CCN2C(=O)c2cc([N+](=O)[O-])ccc2O)cn1 ZINC000282444166 489164304 /nfs/dbraw/zinc/16/43/04/489164304.db2.gz SMFMOOUCJZEREK-CANCMXDXSA-N 0 2 364.383 0.980 20 5 FCBDLN Cc1cc(S(=O)(=O)N[C@H](Cc2c[nH+]c[nH]2)C(=O)[O-])c(C)cc1[N+](=O)[O-] ZINC000563355146 491239282 /nfs/dbraw/zinc/23/92/82/491239282.db2.gz DSEHPGPBBKZSTD-LLVKDONJSA-N 0 2 368.371 0.909 20 5 FCBDLN Cc1cc(S(=O)(=O)N[C@H](Cc2c[nH]c[nH+]2)C(=O)[O-])c(C)cc1[N+](=O)[O-] ZINC000563355146 491239283 /nfs/dbraw/zinc/23/92/83/491239283.db2.gz DSEHPGPBBKZSTD-LLVKDONJSA-N 0 2 368.371 0.909 20 5 FCBDLN O=C(N[C@@H]1CCCN(S(=O)(=O)C2CC2)C1)c1ccc([N+](=O)[O-])cc1O ZINC000286698316 489418311 /nfs/dbraw/zinc/41/83/11/489418311.db2.gz PTJUTEFYPRDZNX-SNVBAGLBSA-N 0 2 369.399 0.987 20 5 FCBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccnc2ncnn21 ZINC000479121132 490067071 /nfs/dbraw/zinc/06/70/71/490067071.db2.gz XFZDFPQOCDHUMC-UHFFFAOYSA-N 0 2 350.316 0.842 20 5 FCBDLN O=C(NCCN1C(=O)NC2(CCCC2)C1=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000479459926 490093176 /nfs/dbraw/zinc/09/31/76/490093176.db2.gz YCZHBZHTIKCDGF-UHFFFAOYSA-N 0 2 362.342 0.895 20 5 FCBDLN CCn1cc(S(=O)(=O)Nc2nccc(OCCOC)n2)c([N+](=O)[O-])n1 ZINC000508070728 490295367 /nfs/dbraw/zinc/29/53/67/490295367.db2.gz WMHPODOMWVDSJZ-UHFFFAOYSA-N 0 2 372.363 0.427 20 5 FCBDLN O=c1[nH]nc(C2CCN(S(=O)(=O)c3cccnc3[N+](=O)[O-])CC2)[nH]1 ZINC000549562748 490589918 /nfs/dbraw/zinc/58/99/18/490589918.db2.gz SSTYLUSWOKHGIG-UHFFFAOYSA-N 0 2 354.348 0.382 20 5 FCBDLN COC(=O)CCN1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)C1=O ZINC000501827147 490645152 /nfs/dbraw/zinc/64/51/52/490645152.db2.gz ZFMDSHSYKAPJLD-JTQLQIEISA-N 0 2 351.315 0.194 20 5 FCBDLN NC(=O)CNC(=O)c1ccc(CNC(=O)c2cccc(O)c2[N+](=O)[O-])cc1 ZINC000537212871 490661120 /nfs/dbraw/zinc/66/11/20/490661120.db2.gz SPVIMADFZLRRRP-UHFFFAOYSA-N 0 2 372.337 0.446 20 5 FCBDLN CCc1ccc(S(=O)(=O)Nc2cnn(CC(=O)NC)c2)cc1[N+](=O)[O-] ZINC000566229922 491428180 /nfs/dbraw/zinc/42/81/80/491428180.db2.gz UGGYDOXNRSKKCW-UHFFFAOYSA-N 0 2 367.387 0.901 20 5 FCBDLN CCc1ccc(S(=O)(=O)Nc2ncn(CC(=O)OC)n2)cc1[N+](=O)[O-] ZINC000575059207 491536460 /nfs/dbraw/zinc/53/64/60/491536460.db2.gz LDVDSHCYEKZFQL-UHFFFAOYSA-N 0 2 369.359 0.723 20 5 FCBDLN CC(C)C[N@@H+]1CCO[C@@H](CNS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000604467931 492062011 /nfs/dbraw/zinc/06/20/11/492062011.db2.gz AATAGNBRMIFFQU-LBPRGKRZSA-N 0 2 373.431 0.936 20 5 FCBDLN CC(C)C[N@H+]1CCO[C@@H](CNS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000604467931 492062012 /nfs/dbraw/zinc/06/20/12/492062012.db2.gz AATAGNBRMIFFQU-LBPRGKRZSA-N 0 2 373.431 0.936 20 5 FCBDLN COC(=O)[C@H]1CC[C@H](C(=O)OC)CN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000600335554 492262440 /nfs/dbraw/zinc/26/24/40/492262440.db2.gz YXNKCBBUINRVIX-JOYOIKCWSA-N 0 2 366.326 0.867 20 5 FCBDLN COC(=O)c1ccc(NS(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)nn1 ZINC000619623336 492272723 /nfs/dbraw/zinc/27/27/23/492272723.db2.gz NELBMSNAFPELLX-UHFFFAOYSA-N 0 2 368.327 0.981 20 5 FCBDLN O=C([O-])CCC[NH+]1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000262227031 597765958 /nfs/dbraw/zinc/76/59/58/597765958.db2.gz LMUGXHILMKDVHI-UHFFFAOYSA-N 0 2 357.388 0.766 20 5 FCBDLN CCn1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)cn1 ZINC000821566898 607153801 /nfs/dbraw/zinc/15/38/01/607153801.db2.gz ZDOFKDNEOXXAIY-UHFFFAOYSA-N 0 2 364.347 0.792 20 5 FCBDLN O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)NCCc1n[nH]c(=S)o1 ZINC000773102811 668072572 /nfs/dbraw/zinc/07/25/72/668072572.db2.gz MFYREDKUMFURAF-UHFFFAOYSA-N 0 2 351.344 0.355 20 5 FCBDLN Cc1cc(S(=O)(=O)N[C@H](Cc2c[nH]c[nH+]2)C(=O)[O-])cc([N+](=O)[O-])c1F ZINC000776437871 668262448 /nfs/dbraw/zinc/26/24/48/668262448.db2.gz OCMSWYBWYQLPLV-SNVBAGLBSA-N 0 2 372.334 0.740 20 5 FCBDLN Cc1cc(S(=O)(=O)N[C@H](Cc2c[nH+]c[nH]2)C(=O)[O-])cc([N+](=O)[O-])c1F ZINC000776437871 668262451 /nfs/dbraw/zinc/26/24/51/668262451.db2.gz OCMSWYBWYQLPLV-SNVBAGLBSA-N 0 2 372.334 0.740 20 5 FCBDLN CN(C(=O)c1ccc(-c2nnc[nH]2)cc1)C1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000955205446 1213136499 /nfs/dbraw/zinc/13/64/99/1213136499.db2.gz AMEXOLZXQMHFPL-ZIAGYGMSSA-N 0 2 370.369 0.420 20 5 FCBDLN O=C(c1ccc2[nH]nnc2c1)N1CC2(C1)CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C2 ZINC001019018537 1214180939 /nfs/dbraw/zinc/18/09/39/1214180939.db2.gz WXRFPPYLSLRAOH-BXUZGUMPSA-N 0 2 370.369 0.298 20 5 FCBDLN COC(=O)N1CCN(c2nnc(-c3ccc(O)c([N+](=O)[O-])c3)n2C)CC1 ZINC001344180490 1270109190 /nfs/dbraw/zinc/10/91/90/1270109190.db2.gz XELYZFGZMVSAHJ-UHFFFAOYSA-N 0 2 362.346 0.984 20 5 FCBDLN Cc1c(-c2nn[nH]n2)c(=O)n(Cc2cc(F)ccc2[N+](=O)[O-])c(=O)n1C ZINC001591794946 1284909066 /nfs/dbraw/zinc/90/90/66/1284909066.db2.gz IOMSRQPSAYIYDA-UHFFFAOYSA-N 0 2 361.293 0.131 20 5 FCBDLN Cc1ncc([N+](=O)[O-])n1CCn1cc2c(c(-c3nn[nH]n3)c1=O)CCC2 ZINC001592413075 1285329266 /nfs/dbraw/zinc/32/92/66/1285329266.db2.gz ORVUBWQOGWFTIX-UHFFFAOYSA-N 0 2 356.346 0.630 20 5 FCBDLN CNC(=O)Cn1nc(Nc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])cc1C ZINC001609288476 1289056645 /nfs/dbraw/zinc/05/66/45/1289056645.db2.gz SQXJVQBQCXHJEC-UHFFFAOYSA-N 0 2 358.322 0.164 20 5 FCBDLN Cc1nn(CCC(=O)N[C@H](Cn2cc[nH+]c2)C(=O)[O-])c(C)c1[N+](=O)[O-] ZINC001610570217 1289513217 /nfs/dbraw/zinc/51/32/17/1289513217.db2.gz GDIJTOSUGAJRAC-LLVKDONJSA-N 0 2 350.335 0.264 20 5 FCBDLN N=C1NC(=O)[C@@H](CC(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)S1 ZINC000745435922 836136397 /nfs/dbraw/zinc/13/63/97/836136397.db2.gz UWJKBQIALOBQJL-SNVBAGLBSA-N 0 2 364.387 0.195 20 5 FCBDLN N=C1NC(=O)[C@H](CC(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)S1 ZINC000745435921 836136450 /nfs/dbraw/zinc/13/64/50/836136450.db2.gz UWJKBQIALOBQJL-JTQLQIEISA-N 0 2 364.387 0.195 20 5 FCBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCS(=O)(=O)[C@@H]2COCC[C@H]21 ZINC001161286061 850249787 /nfs/dbraw/zinc/24/97/87/850249787.db2.gz VEPZMJALIDUIKW-DGCLKSJQSA-N 0 2 356.356 0.329 20 5 FCBDLN O=[N+]([O-])c1c(O)cc(O)cc1O[C@@H](C[n+]1ccccc1)CS(=O)(=O)[O-] ZINC001228975235 857241559 /nfs/dbraw/zinc/24/15/59/857241559.db2.gz YRGRBHVYJOJRHH-NSHDSACASA-O 0 2 371.347 0.629 20 5 FCBDLN CCCSc1nc(OC[C@@H]2OCCN(C)C2=O)c([N+](=O)[O-])c(=O)[nH]1 ZINC001229791808 857287759 /nfs/dbraw/zinc/28/77/59/857287759.db2.gz NENJFNLLXZJHQH-QMMMGPOBSA-N 0 2 358.376 0.829 20 5 FCBDLN CC(C)NS(=O)(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000297540014 214407022 /nfs/dbraw/zinc/40/70/22/214407022.db2.gz ZYTPVMFPVNNNQB-UHFFFAOYSA-N 0 2 372.403 0.301 20 5 FCBDLN CNS(=O)(=O)N1CCC(C(=O)Nc2cc([N+](=O)[O-])ccc2O)CC1 ZINC000285796529 213397371 /nfs/dbraw/zinc/39/73/71/213397371.db2.gz PJMOYCZGJZICFG-UHFFFAOYSA-N 0 2 358.376 0.415 20 5 FCBDLN COC(=O)CCN(CC(OC)OC)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000274992383 211944538 /nfs/dbraw/zinc/94/45/38/211944538.db2.gz ZDJBVAGPQLHMIE-UHFFFAOYSA-N 0 2 356.331 0.925 20 5 FCBDLN C[C@]1(C2CCN(C(=O)c3cc(O)ccc3[N+](=O)[O-])CC2)NC(=O)NC1=O ZINC000375792852 217317344 /nfs/dbraw/zinc/31/73/44/217317344.db2.gz RECLXNAYNCAYTE-MRXNPFEDSA-N 0 2 362.342 0.751 20 5 FCBDLN NS(=O)(=O)c1ccc(CCNC(=O)c2ccc([N+](=O)[O-])cc2O)cc1 ZINC000436862002 248052630 /nfs/dbraw/zinc/05/26/30/248052630.db2.gz MMKGBTKYPSXRPS-UHFFFAOYSA-N 0 2 365.367 0.920 20 5 FCBDLN COC(=O)[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2O)[C@H]1C(=O)OC ZINC000436956617 248054769 /nfs/dbraw/zinc/05/47/69/248054769.db2.gz NYQZFGFESDZXOL-ZWNOBZJWSA-N 0 2 366.326 0.867 20 5 FCBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000279470913 488944779 /nfs/dbraw/zinc/94/47/79/488944779.db2.gz LUYFUDHHBAGUMO-GFCCVEGCSA-N 0 2 369.399 0.941 20 5 FCBDLN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cnn(CC(=O)N(C)C)c1 ZINC000066585233 488332119 /nfs/dbraw/zinc/33/21/19/488332119.db2.gz FSXCDDCQMNGOON-UHFFFAOYSA-N 0 2 367.387 0.989 20 5 FCBDLN CN(C)C(=O)Cn1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000066585149 488332334 /nfs/dbraw/zinc/33/23/34/488332334.db2.gz JPSMKZIEFDWHOF-UHFFFAOYSA-N 0 2 353.360 0.680 20 5 FCBDLN Cn1ccc(N2CCC[C@H](NC(=O)c3cc([N+](=O)[O-])ccc3O)C2=O)n1 ZINC000272470378 488583182 /nfs/dbraw/zinc/58/31/82/488583182.db2.gz ZETIKUATCVSCRH-LBPRGKRZSA-N 0 2 359.342 0.959 20 5 FCBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000273268817 488641126 /nfs/dbraw/zinc/64/11/26/488641126.db2.gz OIEQKOKVZROMBM-LBPRGKRZSA-N 0 2 369.399 0.245 20 5 FCBDLN Cn1ccc(N2CCC[C@H](NC(=O)c3ccc([N+](=O)[O-])cc3O)C2=O)n1 ZINC000274691428 488727709 /nfs/dbraw/zinc/72/77/09/488727709.db2.gz MQPQEDSINFIPDK-LBPRGKRZSA-N 0 2 359.342 0.959 20 5 FCBDLN CS(=O)(=O)NC[C@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000274720946 488729457 /nfs/dbraw/zinc/72/94/57/488729457.db2.gz XVKMMHCDZNBUJE-LLVKDONJSA-N 0 2 357.388 0.844 20 5 FCBDLN COC(=O)c1cnc(NS(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)cn1 ZINC000469184062 489694445 /nfs/dbraw/zinc/69/44/45/489694445.db2.gz ZDQHZCHQHXWLTJ-UHFFFAOYSA-N 0 2 368.327 0.981 20 5 FCBDLN CC(C)NS(=O)(=O)[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000376826726 489802181 /nfs/dbraw/zinc/80/21/81/489802181.db2.gz CZBHUOWWKXRRTM-NSHDSACASA-N 0 2 357.388 0.843 20 5 FCBDLN CS(=O)(=O)N[C@H]1CCCC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436941006 490017554 /nfs/dbraw/zinc/01/75/54/490017554.db2.gz ZGAMFNKELNIQIO-RYUDHWBXSA-N 0 2 357.388 0.891 20 5 FCBDLN Cc1ccc(C)c(S(=O)(=O)Nc2cnn(CC(N)=O)c2)c1[N+](=O)[O-] ZINC000480196456 490170632 /nfs/dbraw/zinc/17/06/32/490170632.db2.gz WYYQGRWZBQNERJ-UHFFFAOYSA-N 0 2 353.360 0.694 20 5 FCBDLN COc1ccc(S(=O)(=O)Nc2nc3ncccn3n2)c([N+](=O)[O-])c1 ZINC000520643780 490174141 /nfs/dbraw/zinc/17/41/41/490174141.db2.gz CYNUKLMHZKSUDT-UHFFFAOYSA-N 0 2 350.316 0.842 20 5 FCBDLN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccn(CC(=O)N(C)C)n1 ZINC000509570548 490440809 /nfs/dbraw/zinc/44/08/09/490440809.db2.gz QXPQDJDOKWDHLF-UHFFFAOYSA-N 0 2 367.387 0.989 20 5 FCBDLN NC(=O)c1cccnc1N1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1 ZINC000523833040 490498201 /nfs/dbraw/zinc/49/82/01/490498201.db2.gz IVDHWHRTKIUDLY-UHFFFAOYSA-N 0 2 371.353 0.757 20 5 FCBDLN COc1cnc(NS(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)nc1 ZINC000500465942 490520831 /nfs/dbraw/zinc/52/08/31/490520831.db2.gz ARLLHMKZJVBQDX-UHFFFAOYSA-N 0 2 368.327 0.965 20 5 FCBDLN O=C(Cn1cc([N+](=O)[O-])ccc1=O)Nc1ccc(-c2nc(=O)o[nH]2)cc1 ZINC000526047316 490669125 /nfs/dbraw/zinc/66/91/25/490669125.db2.gz PLRLTAJCMILALI-UHFFFAOYSA-N 0 2 357.282 0.739 20 5 FCBDLN COC(=O)Cn1cc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2OC)cn1 ZINC000538753794 490747477 /nfs/dbraw/zinc/74/74/77/490747477.db2.gz IEDINFNWQGBCQK-UHFFFAOYSA-N 0 2 370.343 0.774 20 5 FCBDLN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2cnn(CC(N)=O)c2)c1 ZINC000544642210 490974345 /nfs/dbraw/zinc/97/43/45/490974345.db2.gz YOEDEUDEWINRDX-UHFFFAOYSA-N 0 2 353.360 0.694 20 5 FCBDLN C[C@]1(C[C@H]2CCCN2C(=O)c2cc(O)ccc2[N+](=O)[O-])NC(=O)NC1=O ZINC000557608912 491386789 /nfs/dbraw/zinc/38/67/89/491386789.db2.gz KFUVSGVHQOLDFB-JDNHERCYSA-N 0 2 362.342 0.893 20 5 FCBDLN CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000576639948 491632603 /nfs/dbraw/zinc/63/26/03/491632603.db2.gz YGAKUDISNBMANF-NSHDSACASA-N 0 2 373.793 0.719 20 5 FCBDLN O=C([O-])c1ccc(S(=O)(=O)NCC[N@@H+]2CCCOCC2)c([N+](=O)[O-])c1 ZINC000578240676 491673063 /nfs/dbraw/zinc/67/30/63/491673063.db2.gz CGCBDXTZAMQLGM-UHFFFAOYSA-N 0 2 373.387 0.294 20 5 FCBDLN O=C([O-])c1ccc(S(=O)(=O)NCC[N@H+]2CCCOCC2)c([N+](=O)[O-])c1 ZINC000578240676 491673064 /nfs/dbraw/zinc/67/30/64/491673064.db2.gz CGCBDXTZAMQLGM-UHFFFAOYSA-N 0 2 373.387 0.294 20 5 FCBDLN Cn1c(=O)c2cc(NC(=O)c3cc(O)ccc3[N+](=O)[O-])cnc2n(C)c1=O ZINC000582741023 491824950 /nfs/dbraw/zinc/82/49/50/491824950.db2.gz IOLVZSBYPXWEHX-UHFFFAOYSA-N 0 2 371.309 0.498 20 5 FCBDLN COCCNC(=O)C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000613874979 492003288 /nfs/dbraw/zinc/00/32/88/492003288.db2.gz CXRVODDDALFONM-UHFFFAOYSA-N 0 2 351.359 0.915 20 5 FCBDLN C[C@@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2O)C(=O)N1c1cnn(C)c1 ZINC000613978240 492007489 /nfs/dbraw/zinc/00/74/89/492007489.db2.gz BVZSPNLYVVISIV-RNCFNFMXSA-N 0 2 359.342 0.958 20 5 FCBDLN COc1ccc(S(=O)(=O)Nc2cnn(CC(N)=O)c2)cc1[N+](=O)[O-] ZINC000603982361 492048558 /nfs/dbraw/zinc/04/85/58/492048558.db2.gz JUFNRLIJEBLXAH-UHFFFAOYSA-N 0 2 355.332 0.086 20 5 FCBDLN COCCCn1ccc(Nc2ncnc(N3CCOCC3)c2[N+](=O)[O-])n1 ZINC000598599400 492107263 /nfs/dbraw/zinc/10/72/63/492107263.db2.gz NCUWRKHLAFVDKP-UHFFFAOYSA-N 0 2 363.378 1.198 20 5 FCBDLN COC(=O)[C@@H]1CC[C@H](C(=O)OC)N(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000600319350 492259686 /nfs/dbraw/zinc/25/96/86/492259686.db2.gz HXOWJDCQAHZDQP-ZYHUDNBSSA-N 0 2 366.326 0.867 20 5 FCBDLN COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ncc(C(N)=O)s1 ZINC000619506794 492267782 /nfs/dbraw/zinc/26/77/82/492267782.db2.gz KGJCIVBVJYHQTN-UHFFFAOYSA-N 0 2 358.357 0.960 20 5 FCBDLN COC(=O)Cn1cnc(NS(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])n1 ZINC000437343275 536386860 /nfs/dbraw/zinc/38/68/60/536386860.db2.gz PLZAFOHDNJJFOE-UHFFFAOYSA-N 0 2 371.331 0.169 20 5 FCBDLN COCCOCC[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000593887216 546759636 /nfs/dbraw/zinc/75/96/36/546759636.db2.gz PYSPBHJBTIRZOJ-UHFFFAOYSA-N 0 2 353.375 0.721 20 5 FCBDLN COCc1nnc(CNS(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)[nH]1 ZINC000594827656 547015267 /nfs/dbraw/zinc/01/52/67/547015267.db2.gz LRXUHIOPPDOXET-UHFFFAOYSA-N 0 2 355.376 0.521 20 5 FCBDLN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000552222023 547324488 /nfs/dbraw/zinc/32/44/88/547324488.db2.gz GDAIBIICOOYENZ-RKDXNWHRSA-N 0 2 353.331 0.487 20 5 FCBDLN C[N@@H+]1CCO[C@H](CNc2ccc(C(=O)NCC(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000737528995 599967689 /nfs/dbraw/zinc/96/76/89/599967689.db2.gz GQSQAKQLVLCSSU-LLVKDONJSA-N 0 2 352.347 0.152 20 5 FCBDLN C[N@H+]1CCO[C@H](CNc2ccc(C(=O)NCC(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000737528995 599967692 /nfs/dbraw/zinc/96/76/92/599967692.db2.gz GQSQAKQLVLCSSU-LLVKDONJSA-N 0 2 352.347 0.152 20 5 FCBDLN C[C@H](CC(=O)[O-])[NH+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000827386591 601257981 /nfs/dbraw/zinc/25/79/81/601257981.db2.gz VOZJZSOBHYENNB-LLVKDONJSA-N 0 2 357.388 0.764 20 5 FCBDLN CN(C(=O)c1cc(C(F)(F)F)[nH]n1)C1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000954785766 674505492 /nfs/dbraw/zinc/50/54/92/674505492.db2.gz ZNFRRBXODFMKBR-VXNVDRBHSA-N 0 2 361.280 0.377 20 5 FCBDLN CCOCCS(=O)(=O)[N-]C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000732506892 666883237 /nfs/dbraw/zinc/88/32/37/666883237.db2.gz OICIQJIJGVBDMI-UHFFFAOYSA-N 0 2 368.371 0.877 20 5 FCBDLN CCNC(=O)C[N@@H+]1CCCN(c2nccc(C(=O)[O-])c2[N+](=O)[O-])CC1 ZINC000737855665 667888824 /nfs/dbraw/zinc/88/88/24/667888824.db2.gz CIHFRNNKHDCCLR-UHFFFAOYSA-N 0 2 351.363 0.336 20 5 FCBDLN CCNC(=O)C[N@H+]1CCCN(c2nccc(C(=O)[O-])c2[N+](=O)[O-])CC1 ZINC000737855665 667888828 /nfs/dbraw/zinc/88/88/28/667888828.db2.gz CIHFRNNKHDCCLR-UHFFFAOYSA-N 0 2 351.363 0.336 20 5 FCBDLN CS(=O)(=O)CC[NH+]1CCC(NC(=O)c2cccc([N+](=O)[O-])c2[O-])CC1 ZINC000769061294 668113346 /nfs/dbraw/zinc/11/33/46/668113346.db2.gz DEPDCMPHXFBFIR-UHFFFAOYSA-N 0 2 371.415 0.539 20 5 FCBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@@H]1Nc2ccccc2S(=O)(=O)N1 ZINC000770861136 668224696 /nfs/dbraw/zinc/22/46/96/668224696.db2.gz HIGSJQBIENICPU-CYBMUJFWSA-N 0 2 364.339 0.969 20 5 FCBDLN COC[C@@H](C)S(=O)(=O)[N-]C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000835162501 669987844 /nfs/dbraw/zinc/98/78/44/669987844.db2.gz UGIVMDOAWSMTHZ-SNVBAGLBSA-N 0 2 368.371 0.875 20 5 FCBDLN O=C(Cn1[nH]cc2c(=O)ncnc1-2)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000759791645 1183164352 /nfs/dbraw/zinc/16/43/52/1183164352.db2.gz MZPRQVJSKFSBMM-UHFFFAOYSA-N 0 2 354.286 0.494 20 5 FCBDLN CCOc1nc(C(=O)N2CCC(N(C)C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)co1 ZINC000953926926 1213023757 /nfs/dbraw/zinc/02/37/57/1213023757.db2.gz IQMNXAMJQHLVCB-DGCLKSJQSA-N 0 2 366.374 0.802 20 5 FCBDLN CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CN(C(=O)c2ccc(-c3nnc[nH]3)cc2)C1 ZINC000954239810 1213050232 /nfs/dbraw/zinc/05/02/32/1213050232.db2.gz QHQFPKNSECGUIP-ZIAGYGMSSA-N 0 2 370.369 0.420 20 5 FCBDLN CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CN(C(=O)c2c[nH]c3ccccc3c2=O)C1 ZINC000954243046 1213052776 /nfs/dbraw/zinc/05/27/76/1213052776.db2.gz ZDZSEJKMQLGIAM-IUODEOHRSA-N 0 2 370.365 0.476 20 5 FCBDLN Cc1ccc2n[nH]c(C(=O)N(C)C3CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C3)c2c1 ZINC000954735804 1213107089 /nfs/dbraw/zinc/10/70/89/1213107089.db2.gz UDGSAOUYEKTYGU-TZMCWYRMSA-N 0 2 357.370 0.819 20 5 FCBDLN O=C(c1cccc2n[nH]cc21)N1CC2(C1)CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C2 ZINC001019244655 1214223250 /nfs/dbraw/zinc/22/32/50/1214223250.db2.gz QOIVMEYXLCYMHF-IUODEOHRSA-N 0 2 369.381 0.903 20 5 FCBDLN C[N@H+](Cc1n[nH]c(=O)[n-]1)Cc1ccccc1CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001050244399 1216301233 /nfs/dbraw/zinc/30/12/33/1216301233.db2.gz PJFTUFMYZBHPHC-CHWSQXEVSA-N 0 2 360.374 0.424 20 5 FCBDLN C[N@@H+](Cc1n[nH]c(=O)[n-]1)Cc1ccccc1CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001050244399 1216301239 /nfs/dbraw/zinc/30/12/39/1216301239.db2.gz PJFTUFMYZBHPHC-CHWSQXEVSA-N 0 2 360.374 0.424 20 5 FCBDLN CCC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCN(C(=O)CCc2cnn[nH]2)CC1 ZINC001069628795 1216798262 /nfs/dbraw/zinc/79/82/62/1216798262.db2.gz ZRBCUONRMRRLHS-CHWSQXEVSA-N 0 2 364.406 0.290 20 5 FCBDLN CN(CCCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)c1cccc2nn[nH]c21 ZINC001067388562 1217395769 /nfs/dbraw/zinc/39/57/69/1217395769.db2.gz GETJXMIKPNKSSZ-DGCLKSJQSA-N 0 2 360.374 0.544 20 5 FCBDLN CN(CCCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)c1ccc2[nH]nnc2c1 ZINC001067389677 1217399284 /nfs/dbraw/zinc/39/92/84/1217399284.db2.gz JXWLGHFYYYIMJY-BXUZGUMPSA-N 0 2 360.374 0.544 20 5 FCBDLN O=c1nc2c(=O)[nH]c(=O)[nH]c2c(O[C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)[nH]1 ZINC001226887417 1225857156 /nfs/dbraw/zinc/85/71/56/1225857156.db2.gz GGHUUEVTBBQKHF-SECBINFHSA-N 0 2 357.282 0.991 20 5 FCBDLN O=C(NC1CCN(C(=O)c2cccc3nn[nH]c32)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000946839009 1248039014 /nfs/dbraw/zinc/03/90/14/1248039014.db2.gz HKKHSRAXLSDAOA-DGCLKSJQSA-N 0 2 358.358 0.344 20 5 FCBDLN O=C(NCC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCC1)c1ccc2[nH]nnc2c1 ZINC001063012553 1254293589 /nfs/dbraw/zinc/29/35/89/1254293589.db2.gz PKEONFAVLFOSOA-ZWNOBZJWSA-N 0 2 358.358 0.392 20 5 FCBDLN Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC([C@H](O)C(=O)[O-])CC1 ZINC001600305444 1286475159 /nfs/dbraw/zinc/47/51/59/1286475159.db2.gz ZGKIXALMJLKUEV-HNNXBMFYSA-N 0 2 351.359 0.999 20 5 FCBDLN O=C([O-])[C@]1([NH+]2CCN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)CC2)CCOC1 ZINC001602622755 1287037708 /nfs/dbraw/zinc/03/77/08/1287037708.db2.gz LEFGYDKDAWCPSS-INIZCTEOSA-N 0 2 365.342 0.302 20 5 FCBDLN Cn1ccnc1[C@@H]([NH2+]CCn1cc(C(=O)[O-])nn1)c1cccc([N+](=O)[O-])c1 ZINC001608131131 1288777145 /nfs/dbraw/zinc/77/71/45/1288777145.db2.gz INQAOMVSGWYWER-AWEZNQCLSA-N 0 2 371.357 0.997 20 5 FCBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCS(=O)(=O)[C@H]2COCC[C@@H]21 ZINC001161286058 850249035 /nfs/dbraw/zinc/24/90/35/850249035.db2.gz VEPZMJALIDUIKW-AAEUAGOBSA-N 0 2 356.356 0.329 20 5 FCBDLN O=[N+]([O-])c1ccccc1CO[C@H](C[NH+]1CCOCC1)CS(=O)(=O)[O-] ZINC001222760519 856871334 /nfs/dbraw/zinc/87/13/34/856871334.db2.gz QKEJPJOBUKKEFG-CYBMUJFWSA-N 0 2 360.388 0.700 20 5 FCBDLN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[NH+](CCC(=O)[O-])CC1 ZINC001325832361 870052662 /nfs/dbraw/zinc/05/26/62/870052662.db2.gz BRXWIIQLKIIAOM-UHFFFAOYSA-N 0 2 371.415 0.938 20 5 FCBDLN C[C@@H]1C[N@H+](CCC(=O)[O-])CCN1c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC001594527700 986084482 /nfs/dbraw/zinc/08/44/82/986084482.db2.gz JCECUGCMYQFXIP-LLVKDONJSA-N 0 2 371.415 0.984 20 5 FCBDLN C[C@@H]1C[N@@H+](CCC(=O)[O-])CCN1c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC001594527700 986084491 /nfs/dbraw/zinc/08/44/91/986084491.db2.gz JCECUGCMYQFXIP-LLVKDONJSA-N 0 2 371.415 0.984 20 5 FCBDLN C[C@H]1C[N@H+](CCC(=O)[O-])CCN1c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC001594527701 986085219 /nfs/dbraw/zinc/08/52/19/986085219.db2.gz JCECUGCMYQFXIP-NSHDSACASA-N 0 2 371.415 0.984 20 5 FCBDLN C[C@H]1C[N@@H+](CCC(=O)[O-])CCN1c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC001594527701 986085235 /nfs/dbraw/zinc/08/52/35/986085235.db2.gz JCECUGCMYQFXIP-NSHDSACASA-N 0 2 371.415 0.984 20 5 FCBDLN CN(C)C(=O)CN1CCC[N@H+](Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC001598127875 990564849 /nfs/dbraw/zinc/56/48/49/990564849.db2.gz ZFQATZLAAXYLCM-UHFFFAOYSA-N 0 2 364.402 0.889 20 5 FCBDLN CN(C)C(=O)CN1CCC[N@@H+](Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC001598127875 990564855 /nfs/dbraw/zinc/56/48/55/990564855.db2.gz ZFQATZLAAXYLCM-UHFFFAOYSA-N 0 2 364.402 0.889 20 5 FCBDLN COC(=O)[C@H]1C[N@H+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C[C@H]1C(=O)[O-] ZINC001598821668 996335338 /nfs/dbraw/zinc/33/53/38/996335338.db2.gz LOTUEWXURRMYTK-MNOVXSKESA-N 0 2 365.342 0.647 20 5 FCBDLN COC(=O)[C@H]1C[N@@H+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C[C@H]1C(=O)[O-] ZINC001598821668 996335342 /nfs/dbraw/zinc/33/53/42/996335342.db2.gz LOTUEWXURRMYTK-MNOVXSKESA-N 0 2 365.342 0.647 20 5 FCBDLN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CCOC[C@H](O)C2)c1 ZINC000295419994 214296086 /nfs/dbraw/zinc/29/60/86/214296086.db2.gz WYRILMYGBNBZHW-SECBINFHSA-N 0 2 350.780 0.938 20 5 FCBDLN O=C(NCCNS(=O)(=O)c1cccnc1)c1cc([N+](=O)[O-])ccc1O ZINC000436958526 248054521 /nfs/dbraw/zinc/05/45/21/248054521.db2.gz IDQCGGHWVFLOCQ-UHFFFAOYSA-N 0 2 366.355 0.404 20 5 FCBDLN NC(=O)CNC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)cc1 ZINC000436961935 248055399 /nfs/dbraw/zinc/05/53/99/248055399.db2.gz CVBGVSTVJPOYMT-UHFFFAOYSA-N 0 2 358.310 0.768 20 5 FCBDLN CN(C)C(=O)Cn1cnc(NS(=O)(=O)c2ccc([N+](=O)[O-])s2)n1 ZINC000437325177 248063489 /nfs/dbraw/zinc/06/34/89/248063489.db2.gz RWAQNMMAQGYASG-UHFFFAOYSA-N 0 2 360.377 0.137 20 5 FCBDLN CNC(=O)Cn1cnc(NS(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])n1 ZINC000437322420 248063505 /nfs/dbraw/zinc/06/35/05/248063505.db2.gz DVGWUDMYABEZEL-UHFFFAOYSA-N 0 2 354.348 0.042 20 5 FCBDLN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2cnn(CC(N)=O)c2)c1C ZINC000481595929 250344751 /nfs/dbraw/zinc/34/47/51/250344751.db2.gz PRBDDFIRLXCEBH-UHFFFAOYSA-N 0 2 353.360 0.694 20 5 FCBDLN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)[O-] ZINC000325110932 488908617 /nfs/dbraw/zinc/90/86/17/488908617.db2.gz FFQMWQNBTGAQAX-SNVBAGLBSA-N 0 2 354.344 0.601 20 5 FCBDLN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)[O-] ZINC000325110932 488908620 /nfs/dbraw/zinc/90/86/20/488908620.db2.gz FFQMWQNBTGAQAX-SNVBAGLBSA-N 0 2 354.344 0.601 20 5 FCBDLN O=C([O-])[C@@H](Cc1c[nH+]c[nH]1)NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000326566310 488915475 /nfs/dbraw/zinc/91/54/75/488915475.db2.gz ULGKTIITVQYFOO-SECBINFHSA-N 0 2 358.307 0.431 20 5 FCBDLN O=C([O-])[C@@H](Cc1c[nH]c[nH+]1)NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000326566310 488915477 /nfs/dbraw/zinc/91/54/77/488915477.db2.gz ULGKTIITVQYFOO-SECBINFHSA-N 0 2 358.307 0.431 20 5 FCBDLN COC(=O)Cn1cc(NS(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])cn1 ZINC000326568235 488915771 /nfs/dbraw/zinc/91/57/71/488915771.db2.gz AEUMLGBBJRJDLR-UHFFFAOYSA-N 0 2 370.343 0.774 20 5 FCBDLN CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)c2ccc([N+](=O)[O-])cc2O)C1=O ZINC000364361267 488951580 /nfs/dbraw/zinc/95/15/80/488951580.db2.gz NJRKUOZLSOHDBU-ABKXIKBNSA-N 0 2 362.342 0.751 20 5 FCBDLN C[C@@H](C(=O)[O-])[N@H+](C)CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000269306621 488489948 /nfs/dbraw/zinc/48/99/48/488489948.db2.gz TYZHLNWXQWULOJ-LBPRGKRZSA-N 0 2 350.375 0.648 20 5 FCBDLN C[C@@H](C(=O)[O-])[N@@H+](C)CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000269306621 488489950 /nfs/dbraw/zinc/48/99/50/488489950.db2.gz TYZHLNWXQWULOJ-LBPRGKRZSA-N 0 2 350.375 0.648 20 5 FCBDLN CN(CC(=O)[O-])c1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000262168369 488554953 /nfs/dbraw/zinc/55/49/53/488554953.db2.gz UPGNLWVVDYUXQO-UHFFFAOYSA-N 0 2 372.403 0.052 20 5 FCBDLN CS(=O)(=O)NC[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000272327535 488573535 /nfs/dbraw/zinc/57/35/35/488573535.db2.gz CTIOZWNLNRADEY-SNVBAGLBSA-N 0 2 357.388 0.702 20 5 FCBDLN CCOC(=O)C(=O)N1CCN(C(=O)c2cc([N+](=O)[O-])ccc2O)CC1 ZINC000272441619 488580811 /nfs/dbraw/zinc/58/08/11/488580811.db2.gz UVEXNSYTLGZXMD-UHFFFAOYSA-N 0 2 351.315 0.148 20 5 FCBDLN O=C(N[C@@H]1CCO[C@]2(CCS(=O)(=O)C2)C1)c1ccc([N+](=O)[O-])cc1O ZINC000274731726 488730701 /nfs/dbraw/zinc/73/07/01/488730701.db2.gz BKBHLWUIQUKYST-MEBBXXQBSA-N 0 2 370.383 0.767 20 5 FCBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000298065240 489284801 /nfs/dbraw/zinc/28/48/01/489284801.db2.gz IAQQBXDRYZPSDY-LBPRGKRZSA-N 0 2 369.399 0.245 20 5 FCBDLN O=C(Cn1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cn1)NC1CC1 ZINC000298840520 489372563 /nfs/dbraw/zinc/37/25/63/489372563.db2.gz FXCXBTJNMXLQNO-UHFFFAOYSA-N 0 2 365.371 0.871 20 5 FCBDLN C[C@]1(C2CCN(C(=O)c3ccc([N+](=O)[O-])cc3O)CC2)NC(=O)NC1=O ZINC000372241533 489563001 /nfs/dbraw/zinc/56/30/01/489563001.db2.gz OPGHIYSYKDIKIJ-MRXNPFEDSA-N 0 2 362.342 0.751 20 5 FCBDLN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000428076894 489637399 /nfs/dbraw/zinc/63/73/99/489637399.db2.gz KGPLUAQTHIARTA-DTWKUNHWSA-N 0 2 353.331 0.487 20 5 FCBDLN Nc1nsc(N2CCN(C(=O)c3ccc([N+](=O)[O-])c(O)c3)CC2)n1 ZINC000469362877 489703646 /nfs/dbraw/zinc/70/36/46/489703646.db2.gz MWOLZGUGIRSQNO-UHFFFAOYSA-N 0 2 350.360 0.697 20 5 FCBDLN CS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccncc2[N+](=O)[O-])cn1 ZINC000461112511 489896153 /nfs/dbraw/zinc/89/61/53/489896153.db2.gz KAYCIGWQZWOOMW-UHFFFAOYSA-N 0 2 358.357 0.011 20 5 FCBDLN COC(=O)Cc1cccc(S(=O)(=O)Nc2ccncc2[N+](=O)[O-])c1 ZINC000461109482 489896309 /nfs/dbraw/zinc/89/63/09/489896309.db2.gz IHQJBSDBFBKHEU-UHFFFAOYSA-N 0 2 351.340 0.928 20 5 FCBDLN NC(=O)CNC(=O)c1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)c1 ZINC000436752040 490013130 /nfs/dbraw/zinc/01/31/30/490013130.db2.gz WODGDQCNJGHBBW-UHFFFAOYSA-N 0 2 358.310 0.768 20 5 FCBDLN COC(=O)[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2O)[C@H]1C(=O)OC ZINC000436901093 490014937 /nfs/dbraw/zinc/01/49/37/490014937.db2.gz PUSQEXDKOBZIDU-DGCLKSJQSA-N 0 2 366.326 0.867 20 5 FCBDLN COC(=O)[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2O)[C@@H]1C(=O)OC ZINC000436901095 490015275 /nfs/dbraw/zinc/01/52/75/490015275.db2.gz PUSQEXDKOBZIDU-YPMHNXCESA-N 0 2 366.326 0.867 20 5 FCBDLN Cc1cc(C(=O)N2CCC[C@@H]2C(=O)NCc2n[nH]c(=O)[nH]2)ccc1[N+](=O)[O-] ZINC000478543386 490024635 /nfs/dbraw/zinc/02/46/35/490024635.db2.gz PCFLNGMETHXGLV-GFCCVEGCSA-N 0 2 374.357 0.648 20 5 FCBDLN CN1C(=O)N[C@@]2(CCC[C@@H]2CNC(=O)c2cc([N+](=O)[O-])ccc2O)C1=O ZINC000378550454 490088256 /nfs/dbraw/zinc/08/82/56/490088256.db2.gz OFOGQGCTNOPMSJ-JDNHERCYSA-N 0 2 362.342 0.751 20 5 FCBDLN COC(=O)Cn1cnc(NS(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])n1 ZINC000480018086 490150676 /nfs/dbraw/zinc/15/06/76/490150676.db2.gz RIMKQZNSNGFRMK-UHFFFAOYSA-N 0 2 369.359 0.777 20 5 FCBDLN O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC000483599738 490333083 /nfs/dbraw/zinc/33/30/83/490333083.db2.gz GLLRBJQQHINROD-CQSZACIVSA-N 0 2 365.386 0.864 20 5 FCBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(C(N)=O)nc1 ZINC000536656059 490605375 /nfs/dbraw/zinc/60/53/75/490605375.db2.gz GENXDQMYVGIPIB-UHFFFAOYSA-N 0 2 352.328 0.898 20 5 FCBDLN CNS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)nc1 ZINC000543445731 490933372 /nfs/dbraw/zinc/93/33/72/490933372.db2.gz ZCHKZRSXDUSBBE-UHFFFAOYSA-N 0 2 372.384 0.699 20 5 FCBDLN O=c1[nH]nc([C@@H]2CCCN(S(=O)(=O)c3cccnc3[N+](=O)[O-])C2)[nH]1 ZINC000559096788 491454814 /nfs/dbraw/zinc/45/48/14/491454814.db2.gz AVDKCFNDEODTLP-MRVPVSSYSA-N 0 2 354.348 0.382 20 5 FCBDLN COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCOC[C@@H]1C(=O)[O-] ZINC000590643477 491782310 /nfs/dbraw/zinc/78/23/10/491782310.db2.gz VXYLMPCBHDBABK-GFCCVEGCSA-N 0 2 353.331 0.717 20 5 FCBDLN COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCOC[C@@H]1C(=O)[O-] ZINC000590643477 491782311 /nfs/dbraw/zinc/78/23/11/491782311.db2.gz VXYLMPCBHDBABK-GFCCVEGCSA-N 0 2 353.331 0.717 20 5 FCBDLN NS(=O)(=O)NC[C@@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000597737890 492062577 /nfs/dbraw/zinc/06/25/77/492062577.db2.gz RYHOEFLWDUVSHO-JTQLQIEISA-N 0 2 358.376 0.088 20 5 FCBDLN CNC(=O)Cn1cnc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)n1 ZINC000598734916 492116274 /nfs/dbraw/zinc/11/62/74/492116274.db2.gz QXICMDQYFPQFJG-UHFFFAOYSA-N 0 2 368.375 0.350 20 5 FCBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ncc(C(N)=O)s1 ZINC000608927905 492195621 /nfs/dbraw/zinc/19/56/21/492195621.db2.gz PQWNGPIFWWUKFE-UHFFFAOYSA-N 0 2 358.357 0.960 20 5 FCBDLN O=C(Cn1cc([N+](=O)[O-])ccc1=O)Nc1cccc(-c2nc(=O)o[nH]2)c1 ZINC000609147042 492199013 /nfs/dbraw/zinc/19/90/13/492199013.db2.gz VUEIGQFZKDKLQF-UHFFFAOYSA-N 0 2 357.282 0.739 20 5 FCBDLN C[C@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)C(=O)N1c1cnn(C)c1 ZINC000610365215 492243073 /nfs/dbraw/zinc/24/30/73/492243073.db2.gz HONRMFXVXPUVLF-CABZTGNLSA-N 0 2 359.342 0.958 20 5 FCBDLN CC(=O)NCC(=O)N1CCC[C@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000611294792 492285151 /nfs/dbraw/zinc/28/51/51/492285151.db2.gz RPDQTPLGECRFGV-LBPRGKRZSA-N 0 2 350.331 0.366 20 5 FCBDLN CC(C)CC(=O)N[C@@H](CC(N)=O)C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000619582831 546909969 /nfs/dbraw/zinc/90/99/69/546909969.db2.gz MMSKFDAYKFHVTI-NSHDSACASA-N 0 2 352.347 0.645 20 5 FCBDLN C[C@@H](NC(=O)c1ccc(NC[C@@H]2C[N@H+](C)CCO2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000736657998 599967596 /nfs/dbraw/zinc/96/75/96/599967596.db2.gz XNFHNLTYBXCBIT-ZYHUDNBSSA-N 0 2 366.374 0.540 20 5 FCBDLN C[C@@H](NC(=O)c1ccc(NC[C@@H]2C[N@@H+](C)CCO2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000736657998 599967599 /nfs/dbraw/zinc/96/75/99/599967599.db2.gz XNFHNLTYBXCBIT-ZYHUDNBSSA-N 0 2 366.374 0.540 20 5 FCBDLN O=c1[nH]nc(CNc2cc(-c3nn[nH]n3)c3cc([N+](=O)[O-])ccc3n2)[nH]1 ZINC000826501503 607522014 /nfs/dbraw/zinc/52/20/14/607522014.db2.gz SYLYKAHAAYBMNL-UHFFFAOYSA-N 0 2 354.290 0.759 20 5 FCBDLN O=C([N-]S(=O)(=O)[C@H]1CCOC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000835162957 669988008 /nfs/dbraw/zinc/98/80/08/669988008.db2.gz XTUQCPNETYWHIU-NSHDSACASA-N 0 2 366.355 0.629 20 5 FCBDLN CC(C)[C@H](CO)ONC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000836904030 670067446 /nfs/dbraw/zinc/06/74/46/670067446.db2.gz BOGZXTBDJCBQOF-NSHDSACASA-N 0 2 357.388 0.851 20 5 FCBDLN Cc1nn(C)c(F)c1C(=O)N1CCC(N(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000953926873 1213024035 /nfs/dbraw/zinc/02/40/35/1213024035.db2.gz FPEYCYBCMFFKBF-VXGBXAGGSA-N 0 2 367.381 0.596 20 5 FCBDLN CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CN(C(=O)c2cccc3[nH]cnc32)C1 ZINC000967948047 1215266002 /nfs/dbraw/zinc/26/60/02/1215266002.db2.gz AKXYKNPZCFDTCN-TZMCWYRMSA-N 0 2 357.370 0.901 20 5 FCBDLN Cc1n[nH]c(C(=O)NCCNc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])c1C ZINC001591793149 1284907469 /nfs/dbraw/zinc/90/74/69/1284907469.db2.gz KFBATBZQMJNYMF-UHFFFAOYSA-N 0 2 371.361 0.957 20 5 FCBDLN Cc1cc(-c2nn[nH]n2)c(=O)n(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])c1 ZINC001591837298 1284945387 /nfs/dbraw/zinc/94/53/87/1284945387.db2.gz YBUHAEZYSNGNEK-UHFFFAOYSA-N 0 2 355.314 0.392 20 5 FCBDLN O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1OS(=O)(=O)c1c[nH]nc1Cl ZINC001593470155 1286172245 /nfs/dbraw/zinc/17/22/45/1286172245.db2.gz KEZKSNLQTSNQLQ-UHFFFAOYSA-N 0 2 371.722 0.919 20 5 FCBDLN O=c1cc(-c2nn[nH]n2)ncn1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC001593494854 1286181830 /nfs/dbraw/zinc/18/18/30/1286181830.db2.gz YSUPNAHIZKAVCR-UHFFFAOYSA-N 0 2 357.286 0.246 20 5 FCBDLN Cc1c(NC(=O)CC[N@@H+]2CCNC(=O)[C@@H]2CC(=O)[O-])cccc1[N+](=O)[O-] ZINC001600032412 1286431963 /nfs/dbraw/zinc/43/19/63/1286431963.db2.gz UEBKPHKGKBQPBT-ZDUSSCGKSA-N 0 2 364.358 0.507 20 5 FCBDLN Cc1c(NC(=O)CC[N@H+]2CCNC(=O)[C@@H]2CC(=O)[O-])cccc1[N+](=O)[O-] ZINC001600032412 1286431968 /nfs/dbraw/zinc/43/19/68/1286431968.db2.gz UEBKPHKGKBQPBT-ZDUSSCGKSA-N 0 2 364.358 0.507 20 5 FCBDLN Cc1c(NC(=O)CC[N@@H+]2CCNC(=O)[C@H]2CC(=O)[O-])cccc1[N+](=O)[O-] ZINC001600032411 1286432290 /nfs/dbraw/zinc/43/22/90/1286432290.db2.gz UEBKPHKGKBQPBT-CYBMUJFWSA-N 0 2 364.358 0.507 20 5 FCBDLN Cc1c(NC(=O)CC[N@H+]2CCNC(=O)[C@H]2CC(=O)[O-])cccc1[N+](=O)[O-] ZINC001600032411 1286432293 /nfs/dbraw/zinc/43/22/93/1286432293.db2.gz UEBKPHKGKBQPBT-CYBMUJFWSA-N 0 2 364.358 0.507 20 5 FCBDLN COC(=O)c1cc(-c2nn[nH]n2)c(=O)n(Cc2ccccc2[N+](=O)[O-])c1 ZINC001609301816 1289075481 /nfs/dbraw/zinc/07/54/81/1289075481.db2.gz CTWYMFHAXZNYHA-UHFFFAOYSA-N 0 2 356.298 0.772 20 5 FCBDLN O=C([O-])C[C@@H]1C(=O)NCC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001601939226 1286877500 /nfs/dbraw/zinc/87/75/00/1286877500.db2.gz KHESKTLKLGBAJU-GFCCVEGCSA-N 0 2 350.331 0.199 20 5 FCBDLN O=C([O-])C[C@@H]1C(=O)NCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001601939226 1286877508 /nfs/dbraw/zinc/87/75/08/1286877508.db2.gz KHESKTLKLGBAJU-GFCCVEGCSA-N 0 2 350.331 0.199 20 5 FCBDLN O=C([O-])c1ccc(S(=O)(=O)N2CCn3c[nH+]cc3C2)cc1[N+](=O)[O-] ZINC001602395607 1286994932 /nfs/dbraw/zinc/99/49/32/1286994932.db2.gz NVKODXPYXBPEJQ-UHFFFAOYSA-N 0 2 352.328 0.694 20 5 FCBDLN Nc1c([N+](=O)[O-])ccc(N2CCC[C@H](c3nc[nH]n3)C2)c1-c1nn[nH]n1 ZINC001606451237 1288324467 /nfs/dbraw/zinc/32/44/67/1288324467.db2.gz HBGXPGUEUPPMJO-QMMMGPOBSA-N 0 2 356.350 0.859 20 5 FCBDLN O=c1[nH]nc(C2CCN(c3ccc([N+](=O)[O-])cc3-c3nn[nH]n3)CC2)[nH]1 ZINC001607090787 1288656722 /nfs/dbraw/zinc/65/67/22/1288656722.db2.gz VHVOJTYBGZJPSO-UHFFFAOYSA-N 0 2 357.334 0.983 20 5 FCBDLN C[S@@](=O)CC[NH+]1CCN(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC001610378763 1289475651 /nfs/dbraw/zinc/47/56/51/1289475651.db2.gz GWSKZNPJGRBSPO-XMMPIXPASA-N 0 2 355.416 0.789 20 5 FCBDLN C[S@](=O)CC[NH+]1CCN(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC001610378762 1289475777 /nfs/dbraw/zinc/47/57/77/1289475777.db2.gz GWSKZNPJGRBSPO-DEOSSOPVSA-N 0 2 355.416 0.789 20 5 FCBDLN O=C([O-])[C@H]1C[C@H](O)C[N@@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC001610662822 1289546510 /nfs/dbraw/zinc/54/65/10/1289546510.db2.gz YSWPESCWLWAXED-WPRPVWTQSA-N 0 2 357.750 0.954 20 5 FCBDLN O=C([O-])[C@H]1C[C@H](O)C[N@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC001610662822 1289546514 /nfs/dbraw/zinc/54/65/14/1289546514.db2.gz YSWPESCWLWAXED-WPRPVWTQSA-N 0 2 357.750 0.954 20 5 FCBDLN CSc1nc(Cl)nc(Nc2c(O)[nH]c(=O)[nH]c2=S)c1[N+](=O)[O-] ZINC001160848078 850203106 /nfs/dbraw/zinc/20/31/06/850203106.db2.gz HIMBUDMPGKFMAQ-REOHCLBHSA-N 0 2 362.780 0.707 20 5 FCBDLN Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N(C)C[C@@H](O)C[NH+]2CCOCC2)n1 ZINC001329580065 872119359 /nfs/dbraw/zinc/11/93/59/872119359.db2.gz TVYGYZQUMPEORV-LLVKDONJSA-N 0 2 354.363 0.126 20 5 FCBDLN COC(=O)CC[N@H+](CC(=O)[O-])[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC001593841143 955365202 /nfs/dbraw/zinc/36/52/02/955365202.db2.gz QGUANDHIPDQSDV-CYBMUJFWSA-N 0 2 365.342 0.650 20 5 FCBDLN COC(=O)CC[N@@H+](CC(=O)[O-])[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC001593841143 955365218 /nfs/dbraw/zinc/36/52/18/955365218.db2.gz QGUANDHIPDQSDV-CYBMUJFWSA-N 0 2 365.342 0.650 20 5 FCBDLN COC(=O)C[C@@H](OC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001598871355 996739409 /nfs/dbraw/zinc/73/94/09/996739409.db2.gz MUAKQBKEISAUNO-GFCCVEGCSA-N 0 2 363.282 0.954 20 5 FCBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@@H]1CC[C@H](C(=O)N2CCOCC2)O1 ZINC000292026906 214072454 /nfs/dbraw/zinc/07/24/54/214072454.db2.gz CKQLTZJSLHZKEB-UONOGXRCSA-N 0 2 365.342 0.645 20 5 FCBDLN Cc1cc(C(=O)NCC(=O)NCc2nnc(C3CC3)[nH]2)ccc1[N+](=O)[O-] ZINC000295457295 214299176 /nfs/dbraw/zinc/29/91/76/214299176.db2.gz OZOHNFYQUUGKQB-UHFFFAOYSA-N 0 2 358.358 0.945 20 5 FCBDLN Cc1cc(C(=O)NCC(=O)NCc2n[nH]c(C3CC3)n2)ccc1[N+](=O)[O-] ZINC000295457295 214299182 /nfs/dbraw/zinc/29/91/82/214299182.db2.gz OZOHNFYQUUGKQB-UHFFFAOYSA-N 0 2 358.358 0.945 20 5 FCBDLN CN1C(=O)N[C@@]2(CCC[C@H]2CNC(=O)c2cc(O)ccc2[N+](=O)[O-])C1=O ZINC000367527814 216134096 /nfs/dbraw/zinc/13/40/96/216134096.db2.gz SFGIUWOXVTZWHW-XXFAHNHDSA-N 0 2 362.342 0.751 20 5 FCBDLN COc1ccc(C(=O)NCC(=O)NOC[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000276300338 212207885 /nfs/dbraw/zinc/20/78/85/212207885.db2.gz NVZLSPUUPKDQFM-SNVBAGLBSA-N 0 2 353.331 0.418 20 5 FCBDLN COCCCN(C(=O)c1ccc([N+](=O)[O-])cc1O)[C@H]1CCS(=O)(=O)C1 ZINC000274637921 211884300 /nfs/dbraw/zinc/88/43/00/211884300.db2.gz PQKPNRLWDATGJC-LBPRGKRZSA-N 0 2 372.399 0.966 20 5 FCBDLN NS(=O)(=O)c1ccc(N2CCC[C@H](C3N=NC(=O)O3)C2)c([N+](=O)[O-])c1 ZINC000375042405 217210800 /nfs/dbraw/zinc/21/08/00/217210800.db2.gz LACXAICBKRDSBM-QMMMGPOBSA-N 0 2 369.359 0.715 20 5 FCBDLN CCOC(=O)Cn1cnc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])n1 ZINC000424220037 247179597 /nfs/dbraw/zinc/17/95/97/247179597.db2.gz GFSJXIILVOWXEJ-UHFFFAOYSA-N 0 2 355.332 0.550 20 5 FCBDLN CCOC(=O)Cn1cnc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000424220342 247179959 /nfs/dbraw/zinc/17/99/59/247179959.db2.gz HXTGPSOYLFIFOA-UHFFFAOYSA-N 0 2 355.332 0.550 20 5 FCBDLN NC(=O)NC(=O)C1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000436888237 248052667 /nfs/dbraw/zinc/05/26/67/248052667.db2.gz MGPKNQQTTODFQB-UHFFFAOYSA-N 0 2 350.331 0.784 20 5 FCBDLN Cn1c(=O)c2ccc(C(=O)Nc3ccc(O)c([N+](=O)[O-])c3)nc2n(C)c1=O ZINC000436875370 248053291 /nfs/dbraw/zinc/05/32/91/248053291.db2.gz XXOZZXFHJQCTGB-UHFFFAOYSA-N 0 2 371.309 0.498 20 5 FCBDLN O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC000436887441 248053795 /nfs/dbraw/zinc/05/37/95/248053795.db2.gz JVWNXJYIRFZGJB-AWEZNQCLSA-N 0 2 365.386 0.864 20 5 FCBDLN O=C(NCCN1C(=O)NC2(CCCC2)C1=O)c1ccc([N+](=O)[O-])cc1O ZINC000436957669 248055193 /nfs/dbraw/zinc/05/51/93/248055193.db2.gz ZSMFWQKIZIQNRH-UHFFFAOYSA-N 0 2 362.342 0.895 20 5 FCBDLN NC(=O)c1cccnc1N1CCN(C(=O)c2cc([N+](=O)[O-])ccc2O)CC1 ZINC000436964508 248055392 /nfs/dbraw/zinc/05/53/92/248055392.db2.gz JCDCHIUOVNBYJD-UHFFFAOYSA-N 0 2 371.353 0.757 20 5 FCBDLN CNC(=O)Cn1cnc(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000437325337 248063627 /nfs/dbraw/zinc/06/36/27/248063627.db2.gz GUTPHCIEHGWTDB-UHFFFAOYSA-N 0 2 374.766 0.387 20 5 FCBDLN COc1ccc(CSCC(=O)NCc2n[nH]c(=O)[nH]2)cc1[N+](=O)[O-] ZINC000443517603 248330684 /nfs/dbraw/zinc/33/06/84/248330684.db2.gz IUOMMKZGZXMUAA-UHFFFAOYSA-N 0 2 353.360 0.977 20 5 FCBDLN NC(=O)c1cc(CNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])on1 ZINC000443786122 248339918 /nfs/dbraw/zinc/33/99/18/248339918.db2.gz RYUJEUKPIDZBSX-UHFFFAOYSA-N 0 2 360.735 0.814 20 5 FCBDLN COCCN(C(=O)c1cc([N+](=O)[O-])ccc1O)[C@@H]1CCS(=O)(=O)C1 ZINC000271242976 211364313 /nfs/dbraw/zinc/36/43/13/211364313.db2.gz FOOYTSATFABLBV-LLVKDONJSA-N 0 2 358.372 0.576 20 5 FCBDLN O=C(NCCCn1nc2n(c1=O)CCCC2)c1ccc([N+](=O)[O-])c(O)c1 ZINC000120199144 208376171 /nfs/dbraw/zinc/37/61/71/208376171.db2.gz BIXUDNGKBPJRQS-UHFFFAOYSA-N 0 2 361.358 0.815 20 5 FCBDLN COCCNC(=O)Cn1cc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)cn1 ZINC000266593473 210363386 /nfs/dbraw/zinc/36/33/86/210363386.db2.gz ZBSFNMHRRVIIIF-UHFFFAOYSA-N 0 2 363.330 0.512 20 5 FCBDLN Cc1cc(N2CC[C@@H](NC(=O)c3ccc([N+](=O)[O-])c(O)c3)C2=O)n(C)n1 ZINC000266472335 210341720 /nfs/dbraw/zinc/34/17/20/210341720.db2.gz JMOKGTBGQUKESH-LLVKDONJSA-N 0 2 359.342 0.878 20 5 FCBDLN COCCO[C@H]1C[C@@H](CO)CN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000278761964 488894161 /nfs/dbraw/zinc/89/41/61/488894161.db2.gz VHLOHSOEBICPPO-YPMHNXCESA-N 0 2 354.359 0.786 20 5 FCBDLN NS(=O)(=O)c1ccc(CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)cc1 ZINC000327123680 488918580 /nfs/dbraw/zinc/91/85/80/488918580.db2.gz RDGCOUCVAYVAFZ-UHFFFAOYSA-N 0 2 351.340 0.878 20 5 FCBDLN CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)c2ccc([N+](=O)[O-])cc2O)C1=O ZINC000364361269 488951263 /nfs/dbraw/zinc/95/12/63/488951263.db2.gz NJRKUOZLSOHDBU-FVMDXXJSSA-N 0 2 362.342 0.751 20 5 FCBDLN CNC(=O)Cn1cc(NS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)cn1 ZINC000055641114 488245453 /nfs/dbraw/zinc/24/54/53/488245453.db2.gz QSRIAUCFJKMCGF-UHFFFAOYSA-N 0 2 367.387 0.955 20 5 FCBDLN O=C(Cn1cc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cn1)NC1CC1 ZINC000055640738 488245652 /nfs/dbraw/zinc/24/56/52/488245652.db2.gz AXDNAYKXZHLUOK-UHFFFAOYSA-N 0 2 365.371 0.871 20 5 FCBDLN CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])CC1 ZINC000269089222 488467953 /nfs/dbraw/zinc/46/79/53/488467953.db2.gz BMSYEDIQKRTTJJ-UHFFFAOYSA-N 0 2 350.375 0.584 20 5 FCBDLN CCNC(=O)C[N@H+]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])CC1 ZINC000269089222 488467956 /nfs/dbraw/zinc/46/79/56/488467956.db2.gz BMSYEDIQKRTTJJ-UHFFFAOYSA-N 0 2 350.375 0.584 20 5 FCBDLN COc1ccc(S(=O)(=O)N2CC[NH+](CCC(=O)[O-])CC2)cc1[N+](=O)[O-] ZINC000261616930 488527527 /nfs/dbraw/zinc/52/75/27/488527527.db2.gz FMHMPBBLMIPXMI-UHFFFAOYSA-N 0 2 373.387 0.384 20 5 FCBDLN CCS(=O)(=O)NC1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1 ZINC000298505163 489332467 /nfs/dbraw/zinc/33/24/67/489332467.db2.gz JFZAOWXJNBNGGX-UHFFFAOYSA-N 0 2 357.388 0.844 20 5 FCBDLN NC(=O)c1cccnc1N1CCN(C(=O)c2cccc(O)c2[N+](=O)[O-])CC1 ZINC000555546773 491254063 /nfs/dbraw/zinc/25/40/63/491254063.db2.gz HHNACIYMMFSQKS-UHFFFAOYSA-N 0 2 371.353 0.757 20 5 FCBDLN CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)CC1 ZINC000299321509 489431637 /nfs/dbraw/zinc/43/16/37/489431637.db2.gz NEPYJRKSGFGJJJ-UHFFFAOYSA-N 0 2 350.375 0.584 20 5 FCBDLN CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)CC1 ZINC000299321509 489431640 /nfs/dbraw/zinc/43/16/40/489431640.db2.gz NEPYJRKSGFGJJJ-UHFFFAOYSA-N 0 2 350.375 0.584 20 5 FCBDLN CNC(=O)Cn1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)cn1 ZINC000469138136 489692252 /nfs/dbraw/zinc/69/22/52/489692252.db2.gz ZFWRIEBNPWVSAI-UHFFFAOYSA-N 0 2 369.359 0.347 20 5 FCBDLN NC(=O)CNC(=O)c1ccc(CNC(=O)c2cc(O)ccc2[N+](=O)[O-])cc1 ZINC000469568551 489712999 /nfs/dbraw/zinc/71/29/99/489712999.db2.gz ISELBDKBJJFMIV-UHFFFAOYSA-N 0 2 372.337 0.446 20 5 FCBDLN CN(C)S(=O)(=O)c1ccc(NCCCc2n[nH]c(=O)[nH]2)c([N+](=O)[O-])c1 ZINC000477096711 489941426 /nfs/dbraw/zinc/94/14/26/489941426.db2.gz DVTZINMDWAMHNL-UHFFFAOYSA-N 0 2 370.391 0.714 20 5 FCBDLN O=C(Cn1ccc(Nc2ncc(Cl)cc2[N+](=O)[O-])n1)N1CCOCC1 ZINC000434942269 489969735 /nfs/dbraw/zinc/96/97/35/489969735.db2.gz ITUQBVZTPBNXBG-UHFFFAOYSA-N 0 2 366.765 1.442 20 5 FCBDLN CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(O)c(S(=O)(=O)NC)c2)n1 ZINC000436624381 490009461 /nfs/dbraw/zinc/00/94/61/490009461.db2.gz JNWBOVJIEFUWCV-UHFFFAOYSA-N 0 2 369.359 0.677 20 5 FCBDLN COC(=O)CN1CCC[C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000436607288 490009607 /nfs/dbraw/zinc/00/96/07/490009607.db2.gz OPBYERRPZFBSCK-LLVKDONJSA-N 0 2 351.359 0.915 20 5 FCBDLN COC(=O)Cn1cc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2O)cn1 ZINC000467766917 490338804 /nfs/dbraw/zinc/33/88/04/490338804.db2.gz FKYUQUKEDSCLGO-UHFFFAOYSA-N 0 2 356.316 0.471 20 5 FCBDLN Cc1cc(=O)n2[nH]c(NS(=O)(=O)c3ccc([N+](=O)[O-])s3)nc2n1 ZINC000484425838 490425366 /nfs/dbraw/zinc/42/53/66/490425366.db2.gz JYLMJWVZEJJDBS-UHFFFAOYSA-N 0 2 356.345 0.497 20 5 FCBDLN Cc1cc(=O)n2[nH]c(NS(=O)(=O)c3ccccc3[N+](=O)[O-])nc2n1 ZINC000484445059 490429597 /nfs/dbraw/zinc/42/95/97/490429597.db2.gz KJWXRDYGVFFMTN-UHFFFAOYSA-N 0 2 350.316 0.435 20 5 FCBDLN CNC(=O)Cn1nc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1C ZINC000504285706 490794063 /nfs/dbraw/zinc/79/40/63/490794063.db2.gz DMAIHEKIXLLHNR-UHFFFAOYSA-N 0 2 367.387 0.955 20 5 FCBDLN Cn1c2c(ccn2CC(=O)Nc2cc([N+](=O)[O-])ccc2O)c(=O)n(C)c1=O ZINC000539971462 490803632 /nfs/dbraw/zinc/80/36/32/490803632.db2.gz XBPMENAIWMRGQG-UHFFFAOYSA-N 0 2 373.325 0.291 20 5 FCBDLN Cc1cc(C(=O)NCC(=O)NCCCc2n[nH]c(=O)[nH]2)ccc1[N+](=O)[O-] ZINC000543952554 490952769 /nfs/dbraw/zinc/95/27/69/490952769.db2.gz OQRWOBLVVUKVEQ-UHFFFAOYSA-N 0 2 362.346 0.206 20 5 FCBDLN Cc1cc(N(C)C[C@@H](O)C[NH+]2CCOCC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000573924069 491463079 /nfs/dbraw/zinc/46/30/79/491463079.db2.gz QNHLZRLEEWPNKG-CYBMUJFWSA-N 0 2 353.375 0.731 20 5 FCBDLN O=C(NCCN1C(=O)NC2(CCCC2)C1=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000578252960 491673317 /nfs/dbraw/zinc/67/33/17/491673317.db2.gz BIQYDXSVDUUTAZ-UHFFFAOYSA-N 0 2 362.342 0.895 20 5 FCBDLN CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1NCc1n[nH]c(=O)[nH]1 ZINC000596155929 491977426 /nfs/dbraw/zinc/97/74/26/491977426.db2.gz LNZXFMRTQLTGKP-UHFFFAOYSA-N 0 2 356.364 0.719 20 5 FCBDLN COc1ccc(S(=O)(=O)Nc2ncc(C(N)=O)s2)c([N+](=O)[O-])c1 ZINC000608927641 492195599 /nfs/dbraw/zinc/19/55/99/492195599.db2.gz BLAJNKQEMKQVBU-UHFFFAOYSA-N 0 2 358.357 0.960 20 5 FCBDLN O=C(NCCNS(=O)(=O)Cc1ccon1)c1cc(O)ccc1[N+](=O)[O-] ZINC000552342027 547326098 /nfs/dbraw/zinc/32/60/98/547326098.db2.gz CVULCHMPYHKATC-UHFFFAOYSA-N 0 2 370.343 0.138 20 5 FCBDLN C[C@H]1COCC[N@@H+]1CCNc1ccc(C(=O)NCC(=O)[O-])cc1[N+](=O)[O-] ZINC000736822622 600161731 /nfs/dbraw/zinc/16/17/31/600161731.db2.gz SRSNITSAYOFLDJ-NSHDSACASA-N 0 2 366.374 0.542 20 5 FCBDLN C[C@H]1COCC[N@H+]1CCNc1ccc(C(=O)NCC(=O)[O-])cc1[N+](=O)[O-] ZINC000736822622 600161733 /nfs/dbraw/zinc/16/17/33/600161733.db2.gz SRSNITSAYOFLDJ-NSHDSACASA-N 0 2 366.374 0.542 20 5 FCBDLN Cc1nn[nH]c1C(=O)N(C)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000988528682 665297406 /nfs/dbraw/zinc/29/74/06/665297406.db2.gz FTWJXPLLAQPNSY-VXGBXAGGSA-N 0 2 350.379 0.089 20 5 FCBDLN O=C(OCc1n[nH]c(=O)[nH]1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000774950816 668186629 /nfs/dbraw/zinc/18/66/29/668186629.db2.gz PSEACUYCRYLEKB-SSDOTTSWSA-N 0 2 351.275 0.360 20 5 FCBDLN CCOC(=O)Cn1cnc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)n1 ZINC000818286378 670093471 /nfs/dbraw/zinc/09/34/71/670093471.db2.gz RMJRCNPNKXZUAD-UHFFFAOYSA-N 0 2 361.361 0.612 20 5 FCBDLN Cn1c(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)cc2c1n(C)c(=O)n(C)c2=O ZINC000548518697 1171434488 /nfs/dbraw/zinc/43/44/88/1171434488.db2.gz WBFRYBJZUGSSQF-UHFFFAOYSA-N 0 2 373.325 0.442 20 5 FCBDLN O=C(NCC1CN(C(=O)c2c[nH]c3ccccc3c2=O)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001001798738 1252346964 /nfs/dbraw/zinc/34/69/64/1252346964.db2.gz HKORUKGATFKVMO-IUODEOHRSA-N 0 2 370.365 0.382 20 5 FCBDLN Cc1nn(CC(=O)c2ccc([N+](=O)[O-])cc2F)c(=O)c(-c2nn[nH]n2)c1C ZINC001592438874 1285370925 /nfs/dbraw/zinc/37/09/25/1285370925.db2.gz RZYZAOGXQVQHNT-UHFFFAOYSA-N 0 2 373.304 0.970 20 5 FCBDLN Cc1c(-c2nn[nH]n2)c(=O)n(Cc2ccc([N+](=O)[O-])cc2F)c(=O)n1C ZINC001605464398 1287972174 /nfs/dbraw/zinc/97/21/74/1287972174.db2.gz GFVFTHKXIYHUHJ-UHFFFAOYSA-N 0 2 361.293 0.131 20 5 FCBDLN Cc1c(-c2nn[nH]n2)c(=O)n(Cc2cccc([N+](=O)[O-])c2)c(=O)n1C1CC1 ZINC001605464328 1287972367 /nfs/dbraw/zinc/97/23/67/1287972367.db2.gz FFQGALWEBQLSDR-UHFFFAOYSA-N 0 2 369.341 0.790 20 5 FCBDLN CSc1nc(Cl)c([N+](=O)[O-])c(Nc2c(O)[nH]c(=O)[nH]c2=S)n1 ZINC001160848672 850205308 /nfs/dbraw/zinc/20/53/08/850205308.db2.gz ZKIQXFPOEIVFAB-UWTATZPHSA-N 0 2 362.780 0.707 20 5 FCBDLN Cc1cc(C)c(S(=O)(=O)N2CC[NH+](CCC(=O)[O-])CC2)cc1[N+](=O)[O-] ZINC001321094669 868366508 /nfs/dbraw/zinc/36/65/08/868366508.db2.gz NKKVCJWVMPUMFT-UHFFFAOYSA-N 0 2 371.415 0.993 20 5 FCBDLN O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)c1ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c1)C2 ZINC001595279109 949958888 /nfs/dbraw/zinc/95/88/88/949958888.db2.gz KQORVLYCCKEDQD-SJCJKPOMSA-N 0 2 372.337 0.954 20 5 FCBDLN C[C@H]1C[N@H+](CCC(=O)[O-])CCN1S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC001594528820 986105848 /nfs/dbraw/zinc/10/58/48/986105848.db2.gz SCSQLJFNDRXVBI-JTQLQIEISA-N 0 2 358.376 0.159 20 5 FCBDLN C[C@H]1C[N@@H+](CCC(=O)[O-])CCN1S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC001594528820 986105850 /nfs/dbraw/zinc/10/58/50/986105850.db2.gz SCSQLJFNDRXVBI-JTQLQIEISA-N 0 2 358.376 0.159 20 5 FCBDLN CN1C[C@H](C(=O)[O-])N(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC1=O ZINC001598563396 993113464 /nfs/dbraw/zinc/11/34/64/993113464.db2.gz RWSUZTXGVIFCQR-CYBMUJFWSA-N 0 2 373.325 0.148 20 5 FCBDLN COc1ccc(NC(=O)C[NH+]2CCC(O)(C(=O)[O-])CC2)c([N+](=O)[O-])c1 ZINC001599590596 993675974 /nfs/dbraw/zinc/67/59/74/993675974.db2.gz FZYNMDHUHBRHTH-UHFFFAOYSA-N 0 2 353.331 0.453 20 5 FCBDLN CN(C)c1cc(F)c(C(=O)NC[C@@H]2CN3CCN2CC3)cc1[N+](=O)[O-] ZINC000295457568 214299651 /nfs/dbraw/zinc/29/96/51/214299651.db2.gz OBYRXZSPTLDHDY-LLVKDONJSA-N 0 2 351.382 0.530 20 5 FCBDLN Cc1cc(C)c(S(=O)(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)[O-])cc1[N+](=O)[O-] ZINC000276908855 212306086 /nfs/dbraw/zinc/30/60/86/212306086.db2.gz NAPKRHZIMPVYRI-NSHDSACASA-N 0 2 368.371 0.909 20 5 FCBDLN Cc1cc(C)c(S(=O)(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)[O-])cc1[N+](=O)[O-] ZINC000276908855 212306088 /nfs/dbraw/zinc/30/60/88/212306088.db2.gz NAPKRHZIMPVYRI-NSHDSACASA-N 0 2 368.371 0.909 20 5 FCBDLN CC(C)NS(=O)(=O)[C@H]1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000376121750 217358702 /nfs/dbraw/zinc/35/87/02/217358702.db2.gz ANKHIKXURKOWMX-NSHDSACASA-N 0 2 357.388 0.843 20 5 FCBDLN O=C(N[C@@H]1CCCN(S(=O)(=O)C2CC2)C1)c1cc(O)ccc1[N+](=O)[O-] ZINC000376287221 217380054 /nfs/dbraw/zinc/38/00/54/217380054.db2.gz FWRDTCAPXYQWOR-SNVBAGLBSA-N 0 2 369.399 0.987 20 5 FCBDLN O=C(NCCNS(=O)(=O)Cc1ccon1)c1ccc([N+](=O)[O-])cc1O ZINC000436992371 248057330 /nfs/dbraw/zinc/05/73/30/248057330.db2.gz VCNAIDYPRYKKEN-UHFFFAOYSA-N 0 2 370.343 0.138 20 5 FCBDLN Cc1ccc(S(=O)(=O)Nc2ncn(CC(=O)N(C)C)n2)c([N+](=O)[O-])c1 ZINC000437344861 248064776 /nfs/dbraw/zinc/06/47/76/248064776.db2.gz UWBYYWDBOARLLX-UHFFFAOYSA-N 0 2 368.375 0.384 20 5 FCBDLN O=C(NCCS(=O)(=O)NCC1CCC1)c1cc([N+](=O)[O-])ccc1O ZINC000271331322 211381241 /nfs/dbraw/zinc/38/12/41/211381241.db2.gz ZCJNBRXCTLZJKA-UHFFFAOYSA-N 0 2 357.388 0.750 20 5 FCBDLN Cc1cc(S(=O)(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)[O-])cc([N+](=O)[O-])c1C ZINC000328348181 488921740 /nfs/dbraw/zinc/92/17/40/488921740.db2.gz PNINOTFUERKJDP-LBPRGKRZSA-N 0 2 368.371 0.909 20 5 FCBDLN Cc1cc(S(=O)(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)[O-])cc([N+](=O)[O-])c1C ZINC000328348181 488921742 /nfs/dbraw/zinc/92/17/42/488921742.db2.gz PNINOTFUERKJDP-LBPRGKRZSA-N 0 2 368.371 0.909 20 5 FCBDLN C[C@]1(C[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])cc2O)NC(=O)NC1=O ZINC000288066324 488939896 /nfs/dbraw/zinc/93/98/96/488939896.db2.gz YPIGKIYLZGCTET-QLJPJBMISA-N 0 2 362.342 0.893 20 5 FCBDLN CNC(=O)Cn1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)cn1 ZINC000055640980 488245380 /nfs/dbraw/zinc/24/53/80/488245380.db2.gz GOHLQDXBFYWUIH-UHFFFAOYSA-N 0 2 353.360 0.647 20 5 FCBDLN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccn(CC(N)=O)n1 ZINC000067124044 488344220 /nfs/dbraw/zinc/34/42/20/488344220.db2.gz PGKMXGKZEDUDNT-UHFFFAOYSA-N 0 2 353.360 0.640 20 5 FCBDLN CS(=O)(=O)N[C@H]1CCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000274734349 488730806 /nfs/dbraw/zinc/73/08/06/488730806.db2.gz FDNLSCGWVPXCGN-CABZTGNLSA-N 0 2 357.388 0.748 20 5 FCBDLN Nc1c(C(=O)N2CCC[C@@H](c3n[nH]c(=O)[nH]3)C2)cc(F)cc1[N+](=O)[O-] ZINC000282983086 489203637 /nfs/dbraw/zinc/20/36/37/489203637.db2.gz TYIVDUBPANYGHQ-SSDOTTSWSA-N 0 2 350.310 0.747 20 5 FCBDLN CCN(CC)C(=O)CN1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1 ZINC000298146830 489297118 /nfs/dbraw/zinc/29/71/18/489297118.db2.gz UOKYFKWUTHPKQG-UHFFFAOYSA-N 0 2 364.402 0.927 20 5 FCBDLN CS(=O)(=O)NC[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000298754315 489360753 /nfs/dbraw/zinc/36/07/53/489360753.db2.gz NELQFZKIPYOLQD-JTQLQIEISA-N 0 2 357.388 0.702 20 5 FCBDLN COC(=O)Cn1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)cn1 ZINC000469088291 489688975 /nfs/dbraw/zinc/68/89/75/489688975.db2.gz VFIVWWOERMDDEH-UHFFFAOYSA-N 0 2 370.343 0.774 20 5 FCBDLN O=C([O-])c1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@H]2CCn3cc[nH+]c3C2)c1 ZINC000493897332 489862232 /nfs/dbraw/zinc/86/22/32/489862232.db2.gz NKGXMAGPWSHHHP-JTQLQIEISA-N 0 2 366.355 0.783 20 5 FCBDLN NC(=O)c1ccnc(N2CCN(C(=O)c3ccccc3O)CC2)c1[N+](=O)[O-] ZINC000436942321 490017387 /nfs/dbraw/zinc/01/73/87/490017387.db2.gz HSCULXSFHOXPGA-UHFFFAOYSA-N 0 2 371.353 0.757 20 5 FCBDLN Cc1cc(=O)c(C(=O)NCc2n[nH]c(=O)[nH]2)nn1-c1ccccc1[N+](=O)[O-] ZINC000479376772 490086867 /nfs/dbraw/zinc/08/68/67/490086867.db2.gz JYAKEPHNBPAPFW-UHFFFAOYSA-N 0 2 371.313 0.203 20 5 FCBDLN COC(=O)[C@H](C)NC(=O)c1ccc(NCc2n[nH]c(=O)[nH]2)c([N+](=O)[O-])c1 ZINC000446846751 490165660 /nfs/dbraw/zinc/16/56/60/490165660.db2.gz DJSQSIPDXRQQQL-ZETCQYMHSA-N 0 2 364.318 0.322 20 5 FCBDLN O=C(NCCCc1n[nH]c(=O)[nH]1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000467464949 490294179 /nfs/dbraw/zinc/29/41/79/490294179.db2.gz FBNWVIVMKXKUFW-UHFFFAOYSA-N 0 2 357.330 0.967 20 5 FCBDLN O=C1NC(=O)c2cc(S(=O)(=O)Nc3cc([N+](=O)[O-])ccc3O)ccc21 ZINC000467767576 490338593 /nfs/dbraw/zinc/33/85/93/490338593.db2.gz GRGSYMJYZYNFLB-UHFFFAOYSA-N 0 2 363.307 0.985 20 5 FCBDLN O=C([O-])[C@@H](Cc1c[nH+]c[nH]1)NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000548527930 490495668 /nfs/dbraw/zinc/49/56/68/490495668.db2.gz NYJRZPJUBUMCEE-GFCCVEGCSA-N 0 2 354.344 0.433 20 5 FCBDLN O=C([O-])[C@@H](Cc1c[nH]c[nH+]1)NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000548527930 490495674 /nfs/dbraw/zinc/49/56/74/490495674.db2.gz NYJRZPJUBUMCEE-GFCCVEGCSA-N 0 2 354.344 0.433 20 5 FCBDLN NC(=O)CNC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)cc1 ZINC000512618612 490690513 /nfs/dbraw/zinc/69/05/13/490690513.db2.gz KHCQYWYRZHRXJN-UHFFFAOYSA-N 0 2 358.310 0.768 20 5 FCBDLN CCn1cc(S(=O)(=O)N2CCC(c3n[nH]c(=O)[nH]3)CC2)c([N+](=O)[O-])n1 ZINC000514801515 490789548 /nfs/dbraw/zinc/78/95/48/490789548.db2.gz SQGJIXPQJONEJH-UHFFFAOYSA-N 0 2 371.379 0.203 20 5 FCBDLN CC(=O)N1CCN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1 ZINC000518086463 490930212 /nfs/dbraw/zinc/93/02/12/490930212.db2.gz ULXWQTNSNXDUPA-UHFFFAOYSA-N 0 2 364.358 0.111 20 5 FCBDLN C[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2O)C(=O)N1c1cnn(C)c1 ZINC000611535413 492289940 /nfs/dbraw/zinc/28/99/40/492289940.db2.gz NRZZZADNUYWEAB-ZANVPECISA-N 0 2 359.342 0.958 20 5 FCBDLN COC(=O)Cn1cnc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)n1 ZINC000437308576 536386576 /nfs/dbraw/zinc/38/65/76/536386576.db2.gz MCWLIBIUUQKHHH-UHFFFAOYSA-N 0 2 355.332 0.469 20 5 FCBDLN Cc1nn[nH]c1C(=O)N1CCC(CN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000988587207 665300005 /nfs/dbraw/zinc/30/00/05/665300005.db2.gz IZWRRKYOUISEOA-VXGBXAGGSA-N 0 2 350.379 0.089 20 5 FCBDLN O=C(Cn1[nH]cc2c(=O)ncnc1-2)Nc1cc([N+](=O)[O-])c(F)cc1F ZINC000731966379 666850140 /nfs/dbraw/zinc/85/01/40/666850140.db2.gz NCGAWXUOICOHIM-UHFFFAOYSA-N 0 2 350.241 0.896 20 5 FCBDLN O=C([N-]S(=O)(=O)[C@@H]1CCOC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000733720224 666930117 /nfs/dbraw/zinc/93/01/17/666930117.db2.gz RXCZELDCDZYNGG-LLVKDONJSA-N 0 2 366.355 0.629 20 5 FCBDLN Cc1cc(=O)n2[nH]c(NS(=O)(=O)c3cccc(F)c3[N+](=O)[O-])nc2n1 ZINC000733742816 666935290 /nfs/dbraw/zinc/93/52/90/666935290.db2.gz LBWSFLPHJGKLKR-UHFFFAOYSA-N 0 2 368.306 0.574 20 5 FCBDLN O=C(CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)OCc1n[nH]c(=O)[nH]1 ZINC000774901458 668181902 /nfs/dbraw/zinc/18/19/02/668181902.db2.gz KKCMKJKSTDETBP-UHFFFAOYSA-N 0 2 355.694 0.545 20 5 FCBDLN N=C1NC(=O)[C@H](CC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)S1 ZINC000787504216 668800128 /nfs/dbraw/zinc/80/01/28/668800128.db2.gz XOOJOUAXXGTQRE-NSHDSACASA-N 0 2 350.356 0.741 20 5 FCBDLN O=C(NC[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)c1n[nH]c2ccccc21 ZINC000980505898 1186218926 /nfs/dbraw/zinc/21/89/26/1186218926.db2.gz DOYPNMDIACADMZ-BGOOENEXSA-N 0 2 357.370 0.853 20 5 FCBDLN O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)OCc1n[nH]c(=O)[nH]1 ZINC000774906253 1206483979 /nfs/dbraw/zinc/48/39/79/1206483979.db2.gz AKBWKTCZRCBQMZ-UHFFFAOYSA-N 0 2 363.286 0.850 20 5 FCBDLN COCc1nocc1C(=O)N1CCC(N(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000953926653 1213023844 /nfs/dbraw/zinc/02/38/44/1213023844.db2.gz AATNWHPYFPGBRA-BXUZGUMPSA-N 0 2 366.374 0.549 20 5 FCBDLN O=C(c1cc(C(F)F)[nH]n1)N1CC2(C1)CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C2 ZINC001019419227 1214240279 /nfs/dbraw/zinc/24/02/79/1214240279.db2.gz RXPBOKXVLNQANZ-LDYMZIIASA-N 0 2 369.328 0.687 20 5 FCBDLN CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CN(C(=O)c2cnc(CC(C)C)[nH]2)C1 ZINC000967951225 1215266885 /nfs/dbraw/zinc/26/68/85/1215266885.db2.gz OMRWKVHJBAATKH-TZMCWYRMSA-N 0 2 363.418 0.946 20 5 FCBDLN O=C(NC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)c1ccc2[nH]nnc2c1 ZINC000946706775 1247965719 /nfs/dbraw/zinc/96/57/19/1247965719.db2.gz NFTKXWHFKWHIOT-BXUZGUMPSA-N 0 2 358.358 0.344 20 5 FCBDLN Cc1ccc([N+](=O)[O-])cc1NC(=O)Cn1cnc(-c2nn[nH]n2)cc1=O ZINC001592198141 1285179781 /nfs/dbraw/zinc/17/97/81/1285179781.db2.gz YWSDRDALGKQSEJ-UHFFFAOYSA-N 0 2 356.302 0.279 20 5 FCBDLN Cc1cc(N2CC[NH+](CC(=O)N(C)C)CC2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600241173 1286459445 /nfs/dbraw/zinc/45/94/45/1286459445.db2.gz WZFWOSJXCBBJDI-UHFFFAOYSA-N 0 2 350.375 0.812 20 5 FCBDLN C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNc1ncc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001606195345 1288206122 /nfs/dbraw/zinc/20/61/22/1288206122.db2.gz VOJALJYREIGBSW-INIZCTEOSA-N 0 2 366.374 0.716 20 5 FCBDLN C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNc1ncc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001606195345 1288206127 /nfs/dbraw/zinc/20/61/27/1288206127.db2.gz VOJALJYREIGBSW-INIZCTEOSA-N 0 2 366.374 0.716 20 5 FCBDLN COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])C[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001606386048 1288282593 /nfs/dbraw/zinc/28/25/93/1288282593.db2.gz MSKRYQHXPAZXNF-KWCYVHTRSA-N 0 2 352.343 0.966 20 5 FCBDLN COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])C[N@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001606386048 1288282599 /nfs/dbraw/zinc/28/25/99/1288282599.db2.gz MSKRYQHXPAZXNF-KWCYVHTRSA-N 0 2 352.343 0.966 20 5 FCBDLN O=c1[nH]c(=O)n(C2CN(c3sccc3[N+](=O)[O-])C2)cc1-c1nn[nH]n1 ZINC001607088311 1288655371 /nfs/dbraw/zinc/65/53/71/1288655371.db2.gz LBXFAPYHNXGCEG-UHFFFAOYSA-N 0 2 362.331 0.160 20 5 FCBDLN O=[N+]([O-])c1ccc(CO[C@H](C[NH+]2CCOCC2)CS(=O)(=O)[O-])cn1 ZINC001224109054 856960395 /nfs/dbraw/zinc/96/03/95/856960395.db2.gz MULHEJVYSFVGMY-GFCCVEGCSA-N 0 2 361.376 0.095 20 5 FCBDLN C[N@@H+]1CCN(c2ccc([N+](=O)[O-])cc2S(C)(=O)=O)C[C@@H](C(=O)[O-])C1 ZINC001326693122 870453753 /nfs/dbraw/zinc/45/37/53/870453753.db2.gz OEKVEBFVDOPFBM-JTQLQIEISA-N 0 2 357.388 0.451 20 5 FCBDLN C[N@H+]1CCN(c2ccc([N+](=O)[O-])cc2S(C)(=O)=O)C[C@@H](C(=O)[O-])C1 ZINC001326693122 870453756 /nfs/dbraw/zinc/45/37/56/870453756.db2.gz OEKVEBFVDOPFBM-JTQLQIEISA-N 0 2 357.388 0.451 20 5 FCBDLN C[C@@H]1CN(C(=O)CCC(C)(C)[N+](=O)[O-])CCN1c1nccn2cnnc12 ZINC000295423769 214295879 /nfs/dbraw/zinc/29/58/79/214295879.db2.gz MCBLZTWFMOBGLY-GFCCVEGCSA-N 0 2 361.406 0.997 20 5 FCBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC000279470915 212554384 /nfs/dbraw/zinc/55/43/84/212554384.db2.gz LUYFUDHHBAGUMO-LBPRGKRZSA-N 0 2 369.399 0.941 20 5 FCBDLN CC(C)NS(=O)(=O)[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000373480828 217022482 /nfs/dbraw/zinc/02/24/82/217022482.db2.gz NSELEDAXYDYNRS-NSHDSACASA-N 0 2 357.388 0.843 20 5 FCBDLN NS(=O)(=O)c1cccc(CNC(=O)c2cc([N+](=O)[O-])ccc2O)c1 ZINC000436672117 248046444 /nfs/dbraw/zinc/04/64/44/248046444.db2.gz CGVMGOQNVZSTBT-UHFFFAOYSA-N 0 2 351.340 0.878 20 5 FCBDLN Cn1c(=O)c2ccc(C(=O)Nc3cc([N+](=O)[O-])ccc3O)nc2n(C)c1=O ZINC000436850615 248052931 /nfs/dbraw/zinc/05/29/31/248052931.db2.gz IJRPTXUHPZDMSA-UHFFFAOYSA-N 0 2 371.309 0.498 20 5 FCBDLN Cn1c(=O)c2cc(NC(=O)c3ccc([N+](=O)[O-])cc3O)cnc2n(C)c1=O ZINC000436953065 248055142 /nfs/dbraw/zinc/05/51/42/248055142.db2.gz ZYSWDOKEFAHIJC-UHFFFAOYSA-N 0 2 371.309 0.498 20 5 FCBDLN O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC000436978908 248057313 /nfs/dbraw/zinc/05/73/13/248057313.db2.gz WUXXOXDVWGWWKM-AWEZNQCLSA-N 0 2 365.386 0.864 20 5 FCBDLN CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)C(=O)N1CCOCC1 ZINC000439140501 248111246 /nfs/dbraw/zinc/11/12/46/248111246.db2.gz JXTOSJSHIMPJIR-CQSZACIVSA-N 0 2 351.359 0.914 20 5 FCBDLN CN(C)C(=O)Cn1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cn1 ZINC000442360259 248286832 /nfs/dbraw/zinc/28/68/32/248286832.db2.gz SAYFHCZYRFLNGM-UHFFFAOYSA-N 0 2 353.360 0.680 20 5 FCBDLN O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000247226723 229279667 /nfs/dbraw/zinc/27/96/67/229279667.db2.gz CZHKXQAXODUYRH-HOCLYGCPSA-N 0 2 353.423 0.196 20 5 FCBDLN C[C@@]1(C[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])cc2O)NC(=O)NC1=O ZINC000288066307 488940012 /nfs/dbraw/zinc/94/00/12/488940012.db2.gz YPIGKIYLZGCTET-HWPZZCPQSA-N 0 2 362.342 0.893 20 5 FCBDLN CNC(=O)Cn1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)cn1 ZINC000055641069 488245637 /nfs/dbraw/zinc/24/56/37/488245637.db2.gz WXGSFNCNZYIHOO-UHFFFAOYSA-N 0 2 353.360 0.647 20 5 FCBDLN COCCOCCS(=O)(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000269919562 488514343 /nfs/dbraw/zinc/51/43/43/488514343.db2.gz AFVVRRKBEBVART-UHFFFAOYSA-N 0 2 362.360 0.786 20 5 FCBDLN CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000274720948 488729669 /nfs/dbraw/zinc/72/96/69/488729669.db2.gz XVKMMHCDZNBUJE-NSHDSACASA-N 0 2 357.388 0.844 20 5 FCBDLN Nc1nsc(N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3O)CC2)n1 ZINC000274878037 488740089 /nfs/dbraw/zinc/74/00/89/488740089.db2.gz YSUBLWMOCNKDNN-UHFFFAOYSA-N 0 2 350.360 0.697 20 5 FCBDLN COC(=O)[C@H]1C[C@@H](C(=O)OC)CCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000274962923 488748570 /nfs/dbraw/zinc/74/85/70/488748570.db2.gz UMKPKFPZVWFMRC-JOYOIKCWSA-N 0 2 366.326 0.867 20 5 FCBDLN CCS(=O)(=O)N1CCC(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1 ZINC000298149063 489297725 /nfs/dbraw/zinc/29/77/25/489297725.db2.gz WBYSEERYEOMVKV-UHFFFAOYSA-N 0 2 357.388 0.844 20 5 FCBDLN CC[C@H](C)NC(=O)CN1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1 ZINC000298782207 489364717 /nfs/dbraw/zinc/36/47/17/489364717.db2.gz LZRNCCJSCVBMII-LBPRGKRZSA-N 0 2 364.402 0.973 20 5 FCBDLN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccn(CC(=O)N(C)C)n1 ZINC000299642655 489466779 /nfs/dbraw/zinc/46/67/79/489466779.db2.gz VMFLRZQPPKWCOL-UHFFFAOYSA-N 0 2 367.387 0.989 20 5 FCBDLN NS(=O)(=O)c1ccccc1CNC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000436739015 490012199 /nfs/dbraw/zinc/01/21/99/490012199.db2.gz MXFGNMXMXLVEDZ-UHFFFAOYSA-N 0 2 351.340 0.878 20 5 FCBDLN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000436822611 490014326 /nfs/dbraw/zinc/01/43/26/490014326.db2.gz PVQXFNUHKUDXSR-DTWKUNHWSA-N 0 2 353.331 0.487 20 5 FCBDLN COC(=O)CCN1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2O)C1=O ZINC000436895611 490014946 /nfs/dbraw/zinc/01/49/46/490014946.db2.gz XWQDJTHYARVAPG-NSHDSACASA-N 0 2 351.315 0.194 20 5 FCBDLN O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)NCc1n[nH]c(=O)[nH]1 ZINC000478544846 490024727 /nfs/dbraw/zinc/02/47/27/490024727.db2.gz ADTFHNFKESSNIK-UHFFFAOYSA-N 0 2 362.302 0.423 20 5 FCBDLN CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)c2cc([N+](=O)[O-])ccc2O)C1=O ZINC000378550453 490088390 /nfs/dbraw/zinc/08/83/90/490088390.db2.gz OFOGQGCTNOPMSJ-FVMDXXJSSA-N 0 2 362.342 0.751 20 5 FCBDLN O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)NCCCc1n[nH]c(=O)[nH]1 ZINC000480050253 490154511 /nfs/dbraw/zinc/15/45/11/490154511.db2.gz VAUCKNPFEXJNNG-UHFFFAOYSA-N 0 2 363.330 0.481 20 5 FCBDLN Cc1ccc(NCCCNC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC000520547022 490160011 /nfs/dbraw/zinc/16/00/11/490160011.db2.gz LUQOBTSEOUCGNK-AWEZNQCLSA-N 0 2 364.450 0.990 20 5 FCBDLN CCn1cc(S(=O)(=O)Nc2ncn(CC(F)(F)F)n2)c([N+](=O)[O-])n1 ZINC000446959760 490176468 /nfs/dbraw/zinc/17/64/68/490176468.db2.gz LFLCOSGGICRUSF-UHFFFAOYSA-N 0 2 369.285 0.766 20 5 FCBDLN NS(=O)(=O)c1ccccc1S(=O)(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000467766915 490339202 /nfs/dbraw/zinc/33/92/02/490339202.db2.gz FKPOLKCFMONHBG-UHFFFAOYSA-N 0 2 373.368 0.749 20 5 FCBDLN Cn1c(=O)[nH]c(=O)c2cc(C(=O)Nc3cc([N+](=O)[O-])ccc3O)cnc21 ZINC000537769917 490694530 /nfs/dbraw/zinc/69/45/30/490694530.db2.gz SDCZJAMLPLOTQW-UHFFFAOYSA-N 0 2 357.282 0.900 20 5 FCBDLN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2ccn(CC(N)=O)n2)c1 ZINC000541801258 490872351 /nfs/dbraw/zinc/87/23/51/490872351.db2.gz IIAWBCMXTCAACQ-UHFFFAOYSA-N 0 2 353.360 0.694 20 5 FCBDLN C[C@@]1(C[C@@H]2CCCN2C(=O)c2cc(O)ccc2[N+](=O)[O-])NC(=O)NC1=O ZINC000557608911 491387031 /nfs/dbraw/zinc/38/70/31/491387031.db2.gz KFUVSGVHQOLDFB-FVMDXXJSSA-N 0 2 362.342 0.893 20 5 FCBDLN CS(=O)(=O)Nc1nnc(NC(=O)COc2cccc([N+](=O)[O-])c2)s1 ZINC000604108021 492050820 /nfs/dbraw/zinc/05/08/20/492050820.db2.gz MDOMPOZTPMYQNZ-UHFFFAOYSA-N 0 2 373.372 0.835 20 5 FCBDLN CC[C@H](C)c1nc([C@H](C)NS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])n[nH]1 ZINC000599294160 492156289 /nfs/dbraw/zinc/15/62/89/492156289.db2.gz AXNZTRSNQYKAOW-YUMQZZPRSA-N 0 2 357.396 0.999 20 5 FCBDLN Cc1nc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)c(C(=O)NCCO)n1C ZINC000617886545 492201854 /nfs/dbraw/zinc/20/18/54/492201854.db2.gz NXAYKPDJKPOKBY-UHFFFAOYSA-N 0 2 363.330 0.317 20 5 FCBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCN(S(=O)(=O)C2CC2)CC1 ZINC000600230097 492250899 /nfs/dbraw/zinc/25/08/99/492250899.db2.gz NOGCTCPZMXELGY-UHFFFAOYSA-N 0 2 355.372 0.550 20 5 FCBDLN Cn1cc[nH+]c1[C@H]([N-]S(=O)(=O)c1ncccc1[N+](=O)[O-])C(C)(C)CO ZINC000594779932 547009388 /nfs/dbraw/zinc/00/93/88/547009388.db2.gz YCTJQWIVXVDCPF-NSHDSACASA-N 0 2 369.403 0.761 20 5 FCBDLN COCc1nnc(CNS(=O)(=O)CCc2ccccc2[N+](=O)[O-])[nH]1 ZINC000594826493 547014920 /nfs/dbraw/zinc/01/49/20/547014920.db2.gz BJTDUKJXQSQDOG-UHFFFAOYSA-N 0 2 355.376 0.521 20 5 FCBDLN COCc1nnc(CNS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)[nH]1 ZINC000594827413 547015584 /nfs/dbraw/zinc/01/55/84/547015584.db2.gz INPMRZMEIVRGCS-UHFFFAOYSA-N 0 2 355.376 0.955 20 5 FCBDLN C[C@@H](NC(=O)c1ccc(NC[C@H]2C[N@H+](C)CCO2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000736657997 599967552 /nfs/dbraw/zinc/96/75/52/599967552.db2.gz XNFHNLTYBXCBIT-PWSUYJOCSA-N 0 2 366.374 0.540 20 5 FCBDLN C[C@@H](NC(=O)c1ccc(NC[C@H]2C[N@@H+](C)CCO2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000736657997 599967556 /nfs/dbraw/zinc/96/75/56/599967556.db2.gz XNFHNLTYBXCBIT-PWSUYJOCSA-N 0 2 366.374 0.540 20 5 FCBDLN O=C([O-])[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000833767554 605126063 /nfs/dbraw/zinc/12/60/63/605126063.db2.gz HBUQRTQBKYGZAP-GXTWGEPZSA-N 0 2 373.325 0.623 20 5 FCBDLN O=C([O-])[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000833767554 605126066 /nfs/dbraw/zinc/12/60/66/605126066.db2.gz HBUQRTQBKYGZAP-GXTWGEPZSA-N 0 2 373.325 0.623 20 5 FCBDLN Cc1[nH]nc(C(=O)N2CC(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)c1C(F)(F)F ZINC000991288361 666289346 /nfs/dbraw/zinc/28/93/46/666289346.db2.gz ZOBAAVFSGJMZBO-HTQZYQBOSA-N 0 2 361.280 0.343 20 5 FCBDLN Cc1n[nH]c(C(F)(F)F)c1C(=O)NC1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000996098702 666900097 /nfs/dbraw/zinc/90/00/97/666900097.db2.gz SRFUIPXNCHJGNW-HTQZYQBOSA-N 0 2 361.280 0.343 20 5 FCBDLN O=C(NCC1CN(C(=O)c2n[nH]cc2C(F)(F)F)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001001810466 667509824 /nfs/dbraw/zinc/50/98/24/667509824.db2.gz MTACBNDIGPTRAU-VXNVDRBHSA-N 0 2 361.280 0.282 20 5 FCBDLN O=C(N[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)c1ccc(-c2nnc[nH]2)cc1 ZINC000973254303 1182140926 /nfs/dbraw/zinc/14/09/26/1182140926.db2.gz JTOIQJMNUJWSEK-AAVRWANBSA-N 0 2 370.369 0.514 20 5 FCBDLN O=C(N[C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)c1ccc2[nH]nnc2c1 ZINC000978801072 1186006632 /nfs/dbraw/zinc/00/66/32/1186006632.db2.gz ULRSJABGDZAGDJ-JMLLCIOISA-N 0 2 358.358 0.248 20 5 FCBDLN O=C(OCc1n[nH]c(=O)[nH]1)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 ZINC000769667077 1200346471 /nfs/dbraw/zinc/34/64/71/1200346471.db2.gz AOGVVIDTGOJTEX-UHFFFAOYSA-N 0 2 361.270 0.429 20 5 FCBDLN O=C(OCc1n[nH]c(=O)[nH]1)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 ZINC000774912955 1206484481 /nfs/dbraw/zinc/48/44/81/1206484481.db2.gz IHEHGAWAUGCDKR-ZETCQYMHSA-N 0 2 365.277 0.654 20 5 FCBDLN O=C(OCc1n[nH]c(=O)[nH]1)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 ZINC000774912953 1206484572 /nfs/dbraw/zinc/48/45/72/1206484572.db2.gz IHEHGAWAUGCDKR-SSDOTTSWSA-N 0 2 365.277 0.654 20 5 FCBDLN CC(C)c1cc(C(=O)N2CCC3(CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C3)C2)n[nH]1 ZINC001019013906 1214178868 /nfs/dbraw/zinc/17/88/68/1214178868.db2.gz ONFKMMKIILAZFL-BXUZGUMPSA-N 0 2 361.402 0.873 20 5 FCBDLN O=C(c1cccc2n[nH]cc21)N1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@H]2C1 ZINC000961548224 1214222315 /nfs/dbraw/zinc/22/23/15/1214222315.db2.gz BOHLCSRQGCYPRM-DDFXLWFNSA-N 0 2 369.381 0.759 20 5 FCBDLN CCN(C(=O)c1ccc2[nH]nnc2c1)C1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000967956309 1215267211 /nfs/dbraw/zinc/26/72/11/1215267211.db2.gz VVFNQGUQEFVCKT-BXUZGUMPSA-N 0 2 358.358 0.296 20 5 FCBDLN CCN(C(=O)c1cccc2nn[nH]c21)C1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000967989565 1215268649 /nfs/dbraw/zinc/26/86/49/1215268649.db2.gz WVRDQXAJLJJLLB-DGCLKSJQSA-N 0 2 358.358 0.296 20 5 FCBDLN CCC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCN(C(=O)C2=NC(=O)N(C)C2)CC1 ZINC001069595774 1216794598 /nfs/dbraw/zinc/79/45/98/1216794598.db2.gz HZPNAZAQNCIAMB-ZYHUDNBSSA-N 0 2 365.390 0.292 20 5 FCBDLN Cc1nc(CN2Cc3ccc(CNC(=O)[C@@H]4C[C@H]4[N+](=O)[O-])cc3C2)n[nH]1 ZINC001054264703 1218901910 /nfs/dbraw/zinc/90/19/10/1218901910.db2.gz PUOFJJHXVPXEES-HUUCEWRRSA-N 0 2 356.386 0.910 20 5 FCBDLN Cc1nn[nH]c1C(=O)N1CCC2(C1)CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC2 ZINC000944384651 1247542790 /nfs/dbraw/zinc/54/27/90/1247542790.db2.gz CKKDADRZRBUQSP-VXGBXAGGSA-N 0 2 362.390 0.233 20 5 FCBDLN O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1 ZINC001582660142 1281850159 /nfs/dbraw/zinc/85/01/59/1281850159.db2.gz PFKHMGJFGAMJHB-NXEZZACHSA-N 0 2 374.361 0.046 20 5 FCBDLN Cc1cc(Oc2c(-c3nn[nH]n3)c(=O)n(C)c(=O)n2C)ccc1[N+](=O)[O-] ZINC001592062806 1285100976 /nfs/dbraw/zinc/10/09/76/1285100976.db2.gz MXFXYYOHVFQDMT-UHFFFAOYSA-N 0 2 359.302 0.273 20 5 FCBDLN Cc1nc(CN2CCN(c3cccc(-c4nn[nH]n4)c3[N+](=O)[O-])CC2)n[nH]1 ZINC001592361488 1285276222 /nfs/dbraw/zinc/27/62/22/1285276222.db2.gz QSTSOLPPBKUIRG-UHFFFAOYSA-N 0 2 370.377 0.524 20 5 FCBDLN O=C(Nc1ncn(Cc2ccc(-c3nn[nH]n3)cc2)n1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001593268097 1286055965 /nfs/dbraw/zinc/05/59/65/1286055965.db2.gz QOHGTDQZERYMJF-GHMZBOCLSA-N 0 2 355.318 0.110 20 5 FCBDLN COC(=O)c1cc(-c2nn[nH]n2)c(=O)n(/C=C/c2ccc([N+](=O)[O-])o2)c1 ZINC001604964084 1287821782 /nfs/dbraw/zinc/82/17/82/1287821782.db2.gz GUERTGRQAYAHCH-SNAWJCMRSA-N 0 2 358.270 0.944 20 5 FCBDLN CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001605494851 1287981465 /nfs/dbraw/zinc/98/14/65/1287981465.db2.gz IVVWFULHFGICQL-PSLIRLAXSA-N 0 2 352.347 0.718 20 5 FCBDLN O=C(Nc1c(-c2nn[nH]n2)nnn1Cc1ccccc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001606893587 1288551809 /nfs/dbraw/zinc/55/18/09/1288551809.db2.gz WGZHRDKKBOBDDH-NXEZZACHSA-N 0 2 355.318 0.110 20 5 FCBDLN O=C(Nc1c(-c2nn[nH]n2)nnn1Cc1ccccc1)[C@@H]1CC1[N+](=O)[O-] ZINC001606893587 1288551814 /nfs/dbraw/zinc/55/18/14/1288551814.db2.gz WGZHRDKKBOBDDH-NXEZZACHSA-N 0 2 355.318 0.110 20 5 FCBDLN C[C@H]1C[N@H+](CCC(=O)[O-])CCN1S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC001609875987 1289323449 /nfs/dbraw/zinc/32/34/49/1289323449.db2.gz YHASYCPNIXBIQR-JTQLQIEISA-N 0 2 358.376 0.159 20 5 FCBDLN C[C@H]1C[N@@H+](CCC(=O)[O-])CCN1S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC001609875987 1289323457 /nfs/dbraw/zinc/32/34/57/1289323457.db2.gz YHASYCPNIXBIQR-JTQLQIEISA-N 0 2 358.376 0.159 20 5 FCBDLN CN(C)c1cc(F)c(C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)[O-])cc1[N+](=O)[O-] ZINC001610104223 1289373442 /nfs/dbraw/zinc/37/34/42/1289373442.db2.gz DNCXRWLENMUKLL-NSHDSACASA-N 0 2 365.321 0.949 20 5 FCBDLN CN(C)c1cc(F)c(C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)[O-])cc1[N+](=O)[O-] ZINC001610104223 1289373451 /nfs/dbraw/zinc/37/34/51/1289373451.db2.gz DNCXRWLENMUKLL-NSHDSACASA-N 0 2 365.321 0.949 20 5 FCBDLN O=C([O-])[C@@H]1C[C@H](O)C[N@@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC001610662820 1289545675 /nfs/dbraw/zinc/54/56/75/1289545675.db2.gz YSWPESCWLWAXED-SCZZXKLOSA-N 0 2 357.750 0.954 20 5 FCBDLN O=C([O-])[C@@H]1C[C@H](O)C[N@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC001610662820 1289545685 /nfs/dbraw/zinc/54/56/85/1289545685.db2.gz YSWPESCWLWAXED-SCZZXKLOSA-N 0 2 357.750 0.954 20 5 FCBDLN O=[N+]([O-])c1ccc(CCO[C@@H](C[NH+]2CCOCC2)CS(=O)(=O)[O-])cc1 ZINC001224330084 856979455 /nfs/dbraw/zinc/97/94/55/856979455.db2.gz CDOCVSCKVMVHAV-HNNXBMFYSA-N 0 2 374.415 0.743 20 5 FCBDLN Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H](O)C(F)(F)C(F)(F)F)n1 ZINC001309798210 866899222 /nfs/dbraw/zinc/89/92/22/866899222.db2.gz XKCDCEMAPSGLPT-RXMQYKEDSA-N 0 2 368.240 0.165 20 5 FCBDLN CCc1ccc(S(=O)(=O)N2CC[NH+](CCC(=O)[O-])CC2)cc1[N+](=O)[O-] ZINC001326724492 870468893 /nfs/dbraw/zinc/46/88/93/870468893.db2.gz AWXULNFREHCQJJ-UHFFFAOYSA-N 0 2 371.415 0.938 20 5 FCBDLN COCCO[C@@H]1C[C@H](CO)CN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000278761962 488894607 /nfs/dbraw/zinc/89/46/07/488894607.db2.gz VHLOHSOEBICPPO-WCQYABFASA-N 0 2 354.359 0.786 20 5 FCBDLN O=C([O-])[C@@H](Cc1c[nH+]c[nH]1)NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000323894072 488904205 /nfs/dbraw/zinc/90/42/05/488904205.db2.gz XJIBQHGOMDWWGQ-GFCCVEGCSA-N 0 2 354.344 0.433 20 5 FCBDLN O=C([O-])[C@@H](Cc1c[nH]c[nH+]1)NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000323894072 488904208 /nfs/dbraw/zinc/90/42/08/488904208.db2.gz XJIBQHGOMDWWGQ-GFCCVEGCSA-N 0 2 354.344 0.433 20 5 FCBDLN NS(=O)(=O)c1ccc(CNC(=O)c2cc(O)ccc2[N+](=O)[O-])cc1 ZINC000327101746 488917993 /nfs/dbraw/zinc/91/79/93/488917993.db2.gz LTUDKIKGHIDLBO-UHFFFAOYSA-N 0 2 351.340 0.878 20 5 FCBDLN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)[O-])c1C ZINC000013305660 487562502 /nfs/dbraw/zinc/56/25/02/487562502.db2.gz YCXHUIHWWJZJHQ-LBPRGKRZSA-N 0 2 368.371 0.909 20 5 FCBDLN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)[O-])c1C ZINC000013305660 487562503 /nfs/dbraw/zinc/56/25/03/487562503.db2.gz YCXHUIHWWJZJHQ-LBPRGKRZSA-N 0 2 368.371 0.909 20 5 FCBDLN CNC(=O)Cn1cc(NS(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])cn1 ZINC000060443480 488290231 /nfs/dbraw/zinc/29/02/31/488290231.db2.gz SZHZLGWPNACMAW-UHFFFAOYSA-N 0 2 367.387 0.955 20 5 FCBDLN COc1ccc(S(=O)(=O)N2CC[NH+]([C@@H](C)C(=O)[O-])CC2)cc1[N+](=O)[O-] ZINC000261626383 488527867 /nfs/dbraw/zinc/52/78/67/488527867.db2.gz GTSFWQGYVJYNNQ-JTQLQIEISA-N 0 2 373.387 0.383 20 5 FCBDLN CS(=O)(=O)N[C@H]1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000272397991 488578007 /nfs/dbraw/zinc/57/80/07/488578007.db2.gz MISGIANJVFNEJT-CABZTGNLSA-N 0 2 357.388 0.748 20 5 FCBDLN COC(=O)[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2O)[C@H](C(=O)OC)C1 ZINC000272925501 488617506 /nfs/dbraw/zinc/61/75/06/488617506.db2.gz FPSWCQKERRXZRQ-SKDRFNHKSA-N 0 2 366.326 0.867 20 5 FCBDLN COC(=O)CCN(CC(OC)OC)C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000274312656 488697817 /nfs/dbraw/zinc/69/78/17/488697817.db2.gz VNYPFGDTJHZBRG-UHFFFAOYSA-N 0 2 356.331 0.925 20 5 FCBDLN CS(=O)(=O)NC[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000274761522 488732331 /nfs/dbraw/zinc/73/23/31/488732331.db2.gz RQISALAKOOOVIH-JTQLQIEISA-N 0 2 357.388 0.702 20 5 FCBDLN COC(=O)C1(NC(=O)c2ccc([N+](=O)[O-])cc2O)CCS(=O)(=O)CC1 ZINC000274869184 488739421 /nfs/dbraw/zinc/73/94/21/488739421.db2.gz XDRIBBWPIAMBPG-UHFFFAOYSA-N 0 2 372.355 0.151 20 5 FCBDLN O=C(CSc1n[nH]c(=O)[nH]1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000274884906 488740478 /nfs/dbraw/zinc/74/04/78/488740478.db2.gz JQUPSAKEXVKJBU-UHFFFAOYSA-N 0 2 364.387 0.447 20 5 FCBDLN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)[O-])c1C ZINC000274883364 488740700 /nfs/dbraw/zinc/74/07/00/488740700.db2.gz DIMZWIZHUFQGHZ-NSHDSACASA-N 0 2 368.371 0.909 20 5 FCBDLN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)[O-])c1C ZINC000274883364 488740703 /nfs/dbraw/zinc/74/07/03/488740703.db2.gz DIMZWIZHUFQGHZ-NSHDSACASA-N 0 2 368.371 0.909 20 5 FCBDLN COC(=O)c1cn([C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3O)C2)nn1 ZINC000365288913 489060003 /nfs/dbraw/zinc/06/00/03/489060003.db2.gz KDPADOSPJQTLJF-SNVBAGLBSA-N 0 2 361.314 0.766 20 5 FCBDLN CNS(=O)(=O)N1CCC(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)CC1 ZINC000286238455 489372063 /nfs/dbraw/zinc/37/20/63/489372063.db2.gz YRUFSSVBFODOBC-UHFFFAOYSA-N 0 2 358.376 0.415 20 5 FCBDLN COC(=O)c1cc(S(=O)(=O)Nc2ccncc2[N+](=O)[O-])cnc1C ZINC000427755512 489619905 /nfs/dbraw/zinc/61/99/05/489619905.db2.gz VBSTUCNIPUJXCI-UHFFFAOYSA-N 0 2 352.328 0.703 20 5 FCBDLN Cn1cc([N+](=O)[O-])c(C(=O)NCc2nnc(COc3ccccc3)[nH]2)n1 ZINC000474579059 489770943 /nfs/dbraw/zinc/77/09/43/489770943.db2.gz QJYRKGHSFYXNAI-UHFFFAOYSA-N 0 2 357.330 0.955 20 5 FCBDLN O=C(NCCCc1n[nH]c(=O)[nH]1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000478795234 490037859 /nfs/dbraw/zinc/03/78/59/490037859.db2.gz NLNXRHABCQVHMQ-UHFFFAOYSA-N 0 2 357.330 0.967 20 5 FCBDLN Cn1c(=O)c2cc(C(=O)Nc3cc([N+](=O)[O-])ccc3O)cnc2n(C)c1=O ZINC000534804495 490410460 /nfs/dbraw/zinc/41/04/60/490410460.db2.gz PRPPJCGWELOJDN-UHFFFAOYSA-N 0 2 371.309 0.498 20 5 FCBDLN COc1cc(S(=O)(=O)Nc2ncc(C(N)=O)s2)ccc1[N+](=O)[O-] ZINC000468837618 490454412 /nfs/dbraw/zinc/45/44/12/490454412.db2.gz DIOQGVOMEHUGRH-UHFFFAOYSA-N 0 2 358.357 0.960 20 5 FCBDLN COC(=O)[C@@H](NS(=O)(=O)c1ccc(C)cc1[N+](=O)[O-])c1ccn(C)n1 ZINC000468878802 490459359 /nfs/dbraw/zinc/45/93/59/490459359.db2.gz IOASNCUZVUNTNK-ZDUSSCGKSA-N 0 2 368.371 0.829 20 5 FCBDLN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@H](Cc2c[nH+]c[nH]2)C(=O)[O-])c1 ZINC000556702211 491328879 /nfs/dbraw/zinc/32/88/79/491328879.db2.gz LJNBHGPEPCPVQU-LLVKDONJSA-N 0 2 368.371 0.909 20 5 FCBDLN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@H](Cc2c[nH]c[nH+]2)C(=O)[O-])c1 ZINC000556702211 491328880 /nfs/dbraw/zinc/32/88/80/491328880.db2.gz LJNBHGPEPCPVQU-LLVKDONJSA-N 0 2 368.371 0.909 20 5 FCBDLN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)[O-])c1 ZINC000556702212 491329161 /nfs/dbraw/zinc/32/91/61/491329161.db2.gz LJNBHGPEPCPVQU-NSHDSACASA-N 0 2 368.371 0.909 20 5 FCBDLN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)[O-])c1 ZINC000556702212 491329164 /nfs/dbraw/zinc/32/91/64/491329164.db2.gz LJNBHGPEPCPVQU-NSHDSACASA-N 0 2 368.371 0.909 20 5 FCBDLN NC(=O)CNC(=O)c1cccc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])c1 ZINC000556784224 491336315 /nfs/dbraw/zinc/33/63/15/491336315.db2.gz ZUILLUZZYMFABA-UHFFFAOYSA-N 0 2 358.310 0.768 20 5 FCBDLN O=C(COCC(=O)Nc1cc([N+](=O)[O-])ccc1O)NCc1cccnc1 ZINC000539973184 490803501 /nfs/dbraw/zinc/80/35/01/490803501.db2.gz VNDDEWKUKMRQCL-UHFFFAOYSA-N 0 2 360.326 0.967 20 5 FCBDLN CCn1cc(S(=O)(=O)Nc2nc(OC)cc(OC)n2)c([N+](=O)[O-])n1 ZINC000543639643 490939626 /nfs/dbraw/zinc/93/96/26/490939626.db2.gz JUCHZMSRZJIVNG-UHFFFAOYSA-N 0 2 358.336 0.419 20 5 FCBDLN CC(=O)NCCc1ccc(S(=O)(=O)Nc2ccncc2[N+](=O)[O-])cc1 ZINC000589657474 491764727 /nfs/dbraw/zinc/76/47/27/491764727.db2.gz KQVPWWATCKDLHO-UHFFFAOYSA-N 0 2 364.383 0.891 20 5 FCBDLN CNC(=O)Cn1cc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)cn1 ZINC000603982575 492048564 /nfs/dbraw/zinc/04/85/64/492048564.db2.gz IAQZUQKKYXICOV-UHFFFAOYSA-N 0 2 369.359 0.347 20 5 FCBDLN CC(C)[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1O)C(=O)N1CCOCC1 ZINC000436968549 535109818 /nfs/dbraw/zinc/10/98/18/535109818.db2.gz UUTJUPVYDOHBSR-AWEZNQCLSA-N 0 2 351.359 0.914 20 5 FCBDLN CS(=O)(=O)N1CC[NH+](CCNc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)CC1 ZINC000592969793 546961891 /nfs/dbraw/zinc/96/18/91/546961891.db2.gz HLFCDCABZXFEIO-UHFFFAOYSA-N 0 2 372.403 0.282 20 5 FCBDLN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)[C@H]1CCS(=O)(=O)N1 ZINC000593893405 546994301 /nfs/dbraw/zinc/99/43/01/546994301.db2.gz SEFUVQSUZKPXCN-SECBINFHSA-N 0 2 352.332 0.010 20 5 FCBDLN O=c1[nH]nc(C2CCN(S(=O)(=O)c3ncccc3[N+](=O)[O-])CC2)[nH]1 ZINC000594776967 547008394 /nfs/dbraw/zinc/00/83/94/547008394.db2.gz RAWZMXFTYYEAMP-UHFFFAOYSA-N 0 2 354.348 0.382 20 5 FCBDLN C[C@@H]1COCC[N@@H+]1CCNc1ccc(C(=O)NCC(=O)[O-])cc1[N+](=O)[O-] ZINC000736822621 600161957 /nfs/dbraw/zinc/16/19/57/600161957.db2.gz SRSNITSAYOFLDJ-LLVKDONJSA-N 0 2 366.374 0.542 20 5 FCBDLN C[C@@H]1COCC[N@H+]1CCNc1ccc(C(=O)NCC(=O)[O-])cc1[N+](=O)[O-] ZINC000736822621 600161960 /nfs/dbraw/zinc/16/19/60/600161960.db2.gz SRSNITSAYOFLDJ-LLVKDONJSA-N 0 2 366.374 0.542 20 5 FCBDLN CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CN(C(=O)c2n[nH]cc2C(F)(F)F)C1 ZINC000954244385 674493330 /nfs/dbraw/zinc/49/33/30/674493330.db2.gz YUIHOPYFBORBFK-VXNVDRBHSA-N 0 2 361.280 0.377 20 5 FCBDLN CCn1cc(-c2nn[nH]n2)c(=O)n(Cc2ccc([N+](=O)[O-])c(OC)c2)c1=O ZINC000825799828 609418521 /nfs/dbraw/zinc/41/85/21/609418521.db2.gz SIJDWSWVFPPQGU-UHFFFAOYSA-N 0 2 373.329 0.175 20 5 FCBDLN COC[C@@H](C)S(=O)(=O)[N-]C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000733715794 666926208 /nfs/dbraw/zinc/92/62/08/666926208.db2.gz IXZNSDVNEWYJEL-SNVBAGLBSA-N 0 2 368.371 0.875 20 5 FCBDLN N=C1NC(=O)[C@H](CC(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)S1 ZINC000787593889 668802391 /nfs/dbraw/zinc/80/23/91/668802391.db2.gz VBHTUBWVYSHNLR-VIFPVBQESA-N 0 2 352.376 0.511 20 5 FCBDLN COC(=O)Nc1ccc(S(=O)(=O)Nc2cnnn2C)cc1[N+](=O)[O-] ZINC000808564491 669574253 /nfs/dbraw/zinc/57/42/53/669574253.db2.gz UTXGWIHRPMCUAL-UHFFFAOYSA-N 0 2 356.320 0.702 20 5 FCBDLN CC(C)(C(=O)[O-])[NH+]1CCN(c2ccc([N+](=O)[O-])cc2S(C)(=O)=O)CC1 ZINC000844217914 670910270 /nfs/dbraw/zinc/91/02/70/670910270.db2.gz GPRAEXAWPCNVIO-UHFFFAOYSA-N 0 2 371.415 0.984 20 5 FCBDLN CC(=O)N1CC[NH+](CCOc2ccc(CC[NH2+]CC[N+](=O)[O-])cc2)CC1 ZINC000905096429 1195576141 /nfs/dbraw/zinc/57/61/41/1195576141.db2.gz JHVHLNCGRJZLNJ-UHFFFAOYSA-N 0 2 364.446 0.638 20 5 FCBDLN O=C(NC1CN(C(=O)c2ccc(-c3nnc[nH]3)cc2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000991292742 1195869987 /nfs/dbraw/zinc/86/99/87/1195869987.db2.gz INJRINCDHJKEFO-CHWSQXEVSA-N 0 2 356.342 0.078 20 5 FCBDLN O=C(Cn1[nH]cc2c(=O)ncnc1-2)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000769621248 1200338570 /nfs/dbraw/zinc/33/85/70/1200338570.db2.gz DMYGCJNIFCYTPR-UHFFFAOYSA-N 0 2 368.313 0.172 20 5 FCBDLN O=C(NCC1CCN(C(=O)c2cc(C(F)F)[nH]n2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000949461987 1212383743 /nfs/dbraw/zinc/38/37/43/1212383743.db2.gz MVUYTUGJHSOGAH-BXKDBHETSA-N 0 2 371.344 0.981 20 5 FCBDLN O=C(NCc1ccc2c(c1)CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C2)c1ncn[nH]1 ZINC000965879781 1215140683 /nfs/dbraw/zinc/14/06/83/1215140683.db2.gz JGHMAHRQFSBCLA-CHWSQXEVSA-N 0 2 356.342 0.242 20 5 FCBDLN O=C(NCc1ccc2c(c1)CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C2)c1nc[nH]n1 ZINC000965879781 1215140685 /nfs/dbraw/zinc/14/06/85/1215140685.db2.gz JGHMAHRQFSBCLA-CHWSQXEVSA-N 0 2 356.342 0.242 20 5 FCBDLN CC(C)(C)c1nc(CN2CCC3(CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C3)C2)n[nH]1 ZINC001072721186 1219620038 /nfs/dbraw/zinc/62/00/38/1219620038.db2.gz HYTWESNGADAQQU-VXGBXAGGSA-N 0 2 362.434 0.802 20 5 FCBDLN O=C(N[C@@H]1[C@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@H]21)c1n[nH]c2ccccc21 ZINC000977176779 1248561368 /nfs/dbraw/zinc/56/13/68/1248561368.db2.gz TWWJVHFXAYRGHP-BLUODKFWSA-N 0 2 355.354 0.415 20 5 FCBDLN O=C(NCC1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)c1ccc(-c2nnc[nH]2)cc1 ZINC001004086055 1253213146 /nfs/dbraw/zinc/21/31/46/1253213146.db2.gz KYYMGESGNFJATA-ZIAGYGMSSA-N 0 2 370.369 0.325 20 5 FCBDLN Cc1cc(S(=O)(=O)Nc2c(-c3nn[nH]n3)cnn2C)ccc1[N+](=O)[O-] ZINC001592064526 1285102771 /nfs/dbraw/zinc/10/27/71/1285102771.db2.gz IGYZIDLZTUKUHW-UHFFFAOYSA-N 0 2 364.347 0.618 20 5 FCBDLN COC(=O)c1cc(-c2nn[nH]n2)c(=O)n(Cc2ccc(F)cc2[N+](=O)[O-])c1 ZINC001604964185 1287821580 /nfs/dbraw/zinc/82/15/80/1287821580.db2.gz IQOBHYLXOAOVRJ-UHFFFAOYSA-N 0 2 374.288 0.911 20 5 FCBDLN Cc1cc(S(=O)(=O)N2CC[NH+](CC(=O)[O-])CC2)c(C)cc1[N+](=O)[O-] ZINC001607703829 1288735073 /nfs/dbraw/zinc/73/50/73/1288735073.db2.gz BYLAMLSDNWDKJO-UHFFFAOYSA-N 0 2 357.388 0.603 20 5 FCBDLN NC(=O)C[N@@H+]1CCCN(c2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC001608235099 1288798164 /nfs/dbraw/zinc/79/81/64/1288798164.db2.gz UZZMPRQJQKOXDG-UHFFFAOYSA-N 0 2 356.766 0.944 20 5 FCBDLN NC(=O)C[N@H+]1CCCN(c2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC001608235099 1288798170 /nfs/dbraw/zinc/79/81/70/1288798170.db2.gz UZZMPRQJQKOXDG-UHFFFAOYSA-N 0 2 356.766 0.944 20 5 FCBDLN O=C([O-])[C@@H](Cn1cc[nH+]c1)NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC001608404252 1288835078 /nfs/dbraw/zinc/83/50/78/1288835078.db2.gz YASFOUAUXVRXAR-CQSZACIVSA-N 0 2 370.325 0.860 20 5 FCBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCS(=O)(=O)[C@@H]2COCC[C@@H]21 ZINC001161286063 850249691 /nfs/dbraw/zinc/24/96/91/850249691.db2.gz VEPZMJALIDUIKW-WCQYABFASA-N 0 2 356.356 0.329 20 5 FCBDLN O=[N+]([O-])c1c(O)cccc1O[C@@H](C[n+]1ccccc1)CS(=O)(=O)[O-] ZINC001225625757 857050701 /nfs/dbraw/zinc/05/07/01/857050701.db2.gz MYRUUGMRYWYEIZ-NSHDSACASA-O 0 2 355.348 0.923 20 5 FCBDLN CSc1nc(OC[C@@H](COC(C)=O)OC(C)=O)c([N+](=O)[O-])c(=O)[nH]1 ZINC001227624822 857168423 /nfs/dbraw/zinc/16/84/23/857168423.db2.gz GARDCOHHTIBTRJ-MRVPVSSYSA-N 0 2 361.332 0.686 20 5 FCBDLN CSc1nc(OC[C@H](COC(C)=O)OC(C)=O)c([N+](=O)[O-])c(=O)[nH]1 ZINC001227624823 857168730 /nfs/dbraw/zinc/16/87/30/857168730.db2.gz GARDCOHHTIBTRJ-QMMMGPOBSA-N 0 2 361.332 0.686 20 5 FCBDLN Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@H](O)C(F)(F)C(F)(F)F)n1 ZINC001309798212 866899339 /nfs/dbraw/zinc/89/93/39/866899339.db2.gz XKCDCEMAPSGLPT-YFKPBYRVSA-N 0 2 368.240 0.165 20 5 FCBDLN C[N@@H+]1CCN(c2ccc([N+](=O)[O-])cc2S(C)(=O)=O)C[C@H](C(=O)[O-])C1 ZINC001326693125 870453400 /nfs/dbraw/zinc/45/34/00/870453400.db2.gz OEKVEBFVDOPFBM-SNVBAGLBSA-N 0 2 357.388 0.451 20 5 FCBDLN C[N@H+]1CCN(c2ccc([N+](=O)[O-])cc2S(C)(=O)=O)C[C@H](C(=O)[O-])C1 ZINC001326693125 870453405 /nfs/dbraw/zinc/45/34/05/870453405.db2.gz OEKVEBFVDOPFBM-SNVBAGLBSA-N 0 2 357.388 0.451 20 5 FCBDLN O=C([O-])c1cnc(NCC2([NH+]3CCOCC3)CCOCC2)c([N+](=O)[O-])c1 ZINC001326694007 961120170 /nfs/dbraw/zinc/12/01/70/961120170.db2.gz SOSBXNMAMKPBJI-UHFFFAOYSA-N 0 2 366.374 0.981 20 5 FCBDLN C[N@@H+](Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1)C[C@@H]1CCS(=O)(=O)C1 ZINC001598519761 992664448 /nfs/dbraw/zinc/66/44/48/992664448.db2.gz DPBPGRQJBCHEFH-LBPRGKRZSA-N 0 2 372.399 0.925 20 5 FCBDLN C[N@H+](Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1)C[C@@H]1CCS(=O)(=O)C1 ZINC001598519761 992664451 /nfs/dbraw/zinc/66/44/51/992664451.db2.gz DPBPGRQJBCHEFH-LBPRGKRZSA-N 0 2 372.399 0.925 20 5 FCBDLN O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)N2CCOC[C@@H](O)C2)c1 ZINC000295436979 214295796 /nfs/dbraw/zinc/29/57/96/214295796.db2.gz YBEMHGNLEZKLEN-QMMMGPOBSA-N 0 2 354.743 0.769 20 5 FCBDLN COCC(COC)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)CC1 ZINC000412433131 237207924 /nfs/dbraw/zinc/20/79/24/237207924.db2.gz BAVYQIGZEOYULX-UHFFFAOYSA-N 0 2 353.375 0.720 20 5 FCBDLN C[C@@]1(C2CCN(C(=O)c3cc(O)ccc3[N+](=O)[O-])CC2)NC(=O)NC1=O ZINC000375792850 217316377 /nfs/dbraw/zinc/31/63/77/217316377.db2.gz RECLXNAYNCAYTE-INIZCTEOSA-N 0 2 362.342 0.751 20 5 FCBDLN NS(=O)(=O)c1ccc(CCNC(=O)c2cc([N+](=O)[O-])ccc2O)cc1 ZINC000436675509 248045935 /nfs/dbraw/zinc/04/59/35/248045935.db2.gz ZRKCLUYEXXPEJA-UHFFFAOYSA-N 0 2 365.367 0.920 20 5 FCBDLN O=C(NCCNS(=O)(=O)c1cccnc1)c1ccc([N+](=O)[O-])cc1O ZINC000436994254 248057041 /nfs/dbraw/zinc/05/70/41/248057041.db2.gz BIGMADWJJKFQOX-UHFFFAOYSA-N 0 2 366.355 0.404 20 5 FCBDLN Cn1c(=O)[nH]cc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)c1=O ZINC000443796353 248340546 /nfs/dbraw/zinc/34/05/46/248340546.db2.gz APYDJPLIRLQJIF-UHFFFAOYSA-N 0 2 357.286 0.432 20 5 FCBDLN COC(=O)c1cn([C@H]2CCN(C(=O)c3cc([N+](=O)[O-])ccc3O)C2)nn1 ZINC000363895756 488897507 /nfs/dbraw/zinc/89/75/07/488897507.db2.gz KJSCRKYURVWHNS-JTQLQIEISA-N 0 2 361.314 0.766 20 5 FCBDLN Cn1ncc([N+](=O)[O-])c1C(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000186634783 488407295 /nfs/dbraw/zinc/40/72/95/488407295.db2.gz SDJBQBREZSQYHR-UHFFFAOYSA-N 0 2 357.330 0.955 20 5 FCBDLN CS(=O)(=O)N[C@@H]1CCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000274734346 488730545 /nfs/dbraw/zinc/73/05/45/488730545.db2.gz FDNLSCGWVPXCGN-BXKDBHETSA-N 0 2 357.388 0.748 20 5 FCBDLN O=C(CSc1n[nH]c(=O)[nH]1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000364931215 489019998 /nfs/dbraw/zinc/01/99/98/489019998.db2.gz BQOHCFOKJRCLED-UHFFFAOYSA-N 0 2 351.344 0.800 20 5 FCBDLN O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@H](F)C(F)(F)F ZINC000290703813 489159429 /nfs/dbraw/zinc/15/94/29/489159429.db2.gz NNKFWUKCRRKUGB-VIFPVBQESA-N 0 2 373.284 0.890 20 5 FCBDLN O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C(F)C(F)(F)F ZINC000290703813 489159431 /nfs/dbraw/zinc/15/94/31/489159431.db2.gz NNKFWUKCRRKUGB-VIFPVBQESA-N 0 2 373.284 0.890 20 5 FCBDLN NC(=O)c1ncn(C2CCN(C(=O)c3ccc([N+](=O)[O-])c(O)c3)CC2)c1N ZINC000282817497 489191821 /nfs/dbraw/zinc/19/18/21/489191821.db2.gz CARHIYQLTOZFBC-UHFFFAOYSA-N 0 2 374.357 0.655 20 5 FCBDLN NS(=O)(=O)c1ccc(N2CCCC[C@@H]2c2n[nH]c(=O)[nH]2)c([N+](=O)[O-])c1 ZINC000563424732 491243429 /nfs/dbraw/zinc/24/34/29/491243429.db2.gz MEPDNAPSHPNYHK-SNVBAGLBSA-N 0 2 368.375 0.798 20 5 FCBDLN CC[C@@H](C)NC(=O)CN1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1 ZINC000298782202 489364604 /nfs/dbraw/zinc/36/46/04/489364604.db2.gz LZRNCCJSCVBMII-GFCCVEGCSA-N 0 2 364.402 0.973 20 5 FCBDLN C[C@@]1(CCc2ccccc2)NC(=O)N(NC(=O)c2cc([N+](=O)[O-])n[nH]2)C1=O ZINC000287101702 489461172 /nfs/dbraw/zinc/46/11/72/489461172.db2.gz LSHWSEXJPNRVNA-INIZCTEOSA-N 0 2 372.341 0.906 20 5 FCBDLN CN1C(=O)N[C@@]2(CCC[C@@H]2CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)C1=O ZINC000372711241 489627636 /nfs/dbraw/zinc/62/76/36/489627636.db2.gz BZRLNPNKQCMLRR-QLJPJBMISA-N 0 2 362.342 0.751 20 5 FCBDLN C[C@]1(C2CCN(C(=O)c3ccc([N+](=O)[O-])c(O)c3)CC2)NC(=O)NC1=O ZINC000377976170 489990538 /nfs/dbraw/zinc/99/05/38/489990538.db2.gz IAGJXBIHAOEOGL-MRXNPFEDSA-N 0 2 362.342 0.751 20 5 FCBDLN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436822732 490013649 /nfs/dbraw/zinc/01/36/49/490013649.db2.gz QKNHFQSTYPWFSU-DTWKUNHWSA-N 0 2 353.331 0.487 20 5 FCBDLN O=C(NC1CCN(S(=O)(=O)C2CC2)CC1)c1cc([N+](=O)[O-])ccc1O ZINC000378376867 490057475 /nfs/dbraw/zinc/05/74/75/490057475.db2.gz MPUPREPXGUMION-UHFFFAOYSA-N 0 2 369.399 0.987 20 5 FCBDLN Cc1ccc(NCCCNC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC000520547023 490160086 /nfs/dbraw/zinc/16/00/86/490160086.db2.gz LUQOBTSEOUCGNK-CQSZACIVSA-N 0 2 364.450 0.990 20 5 FCBDLN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccn(CCC(N)=O)n1 ZINC000524229317 490526208 /nfs/dbraw/zinc/52/62/08/490526208.db2.gz QKFKWPDHMKPFOY-UHFFFAOYSA-N 0 2 353.360 0.776 20 5 FCBDLN Cn1c(C(=O)Nc2cc([N+](=O)[O-])ccc2O)cc2c1n(C)c(=O)n(C)c2=O ZINC000537767127 490694682 /nfs/dbraw/zinc/69/46/82/490694682.db2.gz CRZCDEZAVSCNQD-UHFFFAOYSA-N 0 2 373.325 0.442 20 5 FCBDLN C[N@@H+]1CCN(C(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000575309675 491548286 /nfs/dbraw/zinc/54/82/86/491548286.db2.gz SHQLDGBHVPCVCK-SNVBAGLBSA-N 0 2 369.809 0.079 20 5 FCBDLN CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000576639947 491632422 /nfs/dbraw/zinc/63/24/22/491632422.db2.gz YGAKUDISNBMANF-LLVKDONJSA-N 0 2 373.793 0.719 20 5 FCBDLN COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)C1 ZINC000590387525 491775108 /nfs/dbraw/zinc/77/51/08/491775108.db2.gz UVYNUMHQVORPGF-LLVKDONJSA-N 0 2 351.359 0.915 20 5 FCBDLN COC(=O)C[N@H+]1CCC[C@H](CNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)C1 ZINC000590387525 491775109 /nfs/dbraw/zinc/77/51/09/491775109.db2.gz UVYNUMHQVORPGF-LLVKDONJSA-N 0 2 351.359 0.915 20 5 FCBDLN C[C@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2O)C(=O)N1c1cnn(C)c1 ZINC000613978242 492007343 /nfs/dbraw/zinc/00/73/43/492007343.db2.gz BVZSPNLYVVISIV-ZANVPECISA-N 0 2 359.342 0.958 20 5 FCBDLN CNC(=O)Cn1cc(NS(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)cn1 ZINC000603982502 492048388 /nfs/dbraw/zinc/04/83/88/492048388.db2.gz CKJWPPQSVYHCFH-UHFFFAOYSA-N 0 2 369.359 0.347 20 5 FCBDLN CNC(=O)Cn1cc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)cn1 ZINC000598715111 492115561 /nfs/dbraw/zinc/11/55/61/492115561.db2.gz VEIUJSCFOVEBLZ-UHFFFAOYSA-N 0 2 367.387 0.955 20 5 FCBDLN Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2CC[C@](O)(C(F)(F)F)C2)n1 ZINC000599311041 492158636 /nfs/dbraw/zinc/15/86/36/492158636.db2.gz BFXVLTLEXXKRLC-IMTBSYHQSA-N 0 2 358.298 0.453 20 5 FCBDLN NS(=O)(=O)c1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1 ZINC000609393357 492207690 /nfs/dbraw/zinc/20/76/90/492207690.db2.gz MGPVYCCNSJGBBR-UHFFFAOYSA-N 0 2 373.368 0.749 20 5 FCBDLN COC(=O)[C@H]1CC[C@H](C(=O)OC)CN1C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000600329025 492261389 /nfs/dbraw/zinc/26/13/89/492261389.db2.gz OCPCYCTWWDXOGD-JOYOIKCWSA-N 0 2 366.326 0.867 20 5 FCBDLN CS(=O)(=O)N1CCC[N@H+](Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC000593732064 546990703 /nfs/dbraw/zinc/99/07/03/546990703.db2.gz IGXKHOFGCIRVFU-UHFFFAOYSA-N 0 2 357.388 0.760 20 5 FCBDLN CS(=O)(=O)N1CCC[N@@H+](Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC000593732064 546990706 /nfs/dbraw/zinc/99/07/06/546990706.db2.gz IGXKHOFGCIRVFU-UHFFFAOYSA-N 0 2 357.388 0.760 20 5 FCBDLN C[C@@H](CC(=O)[O-])[NH+]1CCN(S(=O)(=O)c2cccnc2[N+](=O)[O-])CC1 ZINC000827386957 601257887 /nfs/dbraw/zinc/25/78/87/601257887.db2.gz ZUGFOJYGUPKFBE-JTQLQIEISA-N 0 2 358.376 0.159 20 5 FCBDLN O=C([O-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1NC[C@@H](O)C[NH+]1CCOCC1 ZINC000833307008 604630293 /nfs/dbraw/zinc/63/02/93/604630293.db2.gz IRPFHBHGKTUAGV-SNVBAGLBSA-N 0 2 370.318 0.306 20 5 FCBDLN COC[C@H](C)S(=O)(=O)[N-]C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000733715793 666926196 /nfs/dbraw/zinc/92/61/96/666926196.db2.gz IXZNSDVNEWYJEL-JTQLQIEISA-N 0 2 368.371 0.875 20 5 FCBDLN N=C1NC(=O)[C@H](CC(=O)N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)S1 ZINC000742688319 668040815 /nfs/dbraw/zinc/04/08/15/668040815.db2.gz WEZACYPCQKYGAG-WPRPVWTQSA-N 0 2 364.387 0.559 20 5 FCBDLN N=C1NC(=O)[C@@H](CC(=O)N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)S1 ZINC000742688316 668040969 /nfs/dbraw/zinc/04/09/69/668040969.db2.gz WEZACYPCQKYGAG-PSASIEDQSA-N 0 2 364.387 0.559 20 5 FCBDLN Nc1ccc(-c2noc(Cn3[nH]cc4c(=O)ncnc3-4)n2)cc1[N+](=O)[O-] ZINC000761259853 1196800335 /nfs/dbraw/zinc/80/03/35/1196800335.db2.gz OSBUXCQWMRCCMV-UHFFFAOYSA-N 0 2 354.286 0.660 20 5 FCBDLN CN(C(=O)c1cn[nH]c1-c1ccccn1)C1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000954445202 1213075447 /nfs/dbraw/zinc/07/54/47/1213075447.db2.gz NJLCQMZXQDOWJI-BXUZGUMPSA-N 0 2 370.369 0.420 20 5 FCBDLN Cc1ncc(C(=O)N2CCC(C3(NC(=O)[C@@H]4C[C@H]4[N+](=O)[O-])CC3)CC2)[nH]1 ZINC001017159402 1214078957 /nfs/dbraw/zinc/07/89/57/1214078957.db2.gz JVOSNAZTZSAXJG-TZMCWYRMSA-N 0 2 361.402 0.884 20 5 FCBDLN O=C(NCc1ccc(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c(F)c1)c1ncn[nH]1 ZINC001017784597 1214148606 /nfs/dbraw/zinc/14/86/06/1214148606.db2.gz DSDTVHVHGRTBBE-ZYHUDNBSSA-N 0 2 362.321 0.155 20 5 FCBDLN O=C(NCc1ccc(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c(F)c1)c1nc[nH]n1 ZINC001017784597 1214148609 /nfs/dbraw/zinc/14/86/09/1214148609.db2.gz DSDTVHVHGRTBBE-ZYHUDNBSSA-N 0 2 362.321 0.155 20 5 FCBDLN CCN(C(=O)c1cccc2[nH]cnc21)C1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000968277206 1215304886 /nfs/dbraw/zinc/30/48/86/1215304886.db2.gz MFKWQYAIQOLGGO-TZMCWYRMSA-N 0 2 357.370 0.901 20 5 FCBDLN CC1(C)O[C@H]2O[C@@H]3[C@H](Oc4cc(O)cc(O)c4[N+](=O)[O-])C(=O)O[C@@H]3[C@H]2O1 ZINC001228969807 1225968647 /nfs/dbraw/zinc/96/86/47/1225968647.db2.gz CTOYRWCKGLCWGH-ZXPJVPCYSA-N 0 2 369.282 0.555 20 5 FCBDLN O=C(NCC1CN(C(=O)c2cn[nH]c2-c2ccccn2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001001809208 1252354638 /nfs/dbraw/zinc/35/46/38/1252354638.db2.gz BCDUFCBMKWFAOY-BXUZGUMPSA-N 0 2 370.369 0.325 20 5 FCBDLN Cn1c(=O)[nH]c(NCCc2ccccc2[N+](=O)[O-])c(-c2nn[nH]n2)c1=O ZINC001581747435 1280450246 /nfs/dbraw/zinc/45/02/46/1280450246.db2.gz NPJGBZNKVOJOOK-UHFFFAOYSA-N 0 2 358.318 0.229 20 5 FCBDLN CCc1nn(Cc2cccnc2[N+](=O)[O-])c(=O)c(-c2nn[nH]n2)c1CC ZINC001590929680 1283978311 /nfs/dbraw/zinc/97/83/11/1283978311.db2.gz LFJSBUYYLKAJKM-UHFFFAOYSA-N 0 2 356.346 0.900 20 5 FCBDLN O=c1[nH]nc([C@@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3[N+](=O)[O-])C2)[nH]1 ZINC001593497742 1286181902 /nfs/dbraw/zinc/18/19/02/1286181902.db2.gz KTGWGAFWGQLUFZ-SECBINFHSA-N 0 2 357.334 0.983 20 5 FCBDLN CCNC(=O)NC(=O)[C@H](C)[NH2+][C@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001605494860 1287981415 /nfs/dbraw/zinc/98/14/15/1287981415.db2.gz IVVWFULHFGICQL-VFZGTOFNSA-N 0 2 352.347 0.718 20 5 FCBDLN Cn1c[nH+]cc1CCNS(=O)(=O)c1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001610611462 1289527970 /nfs/dbraw/zinc/52/79/70/1289527970.db2.gz IRQSVBAQYAHYOC-UHFFFAOYSA-N 0 2 354.344 0.548 20 5 FCBDLN O=C([O-])CN(CC[NH+]1CCOCC1)c1ncnc2sc([N+](=O)[O-])cc21 ZINC001610780005 1289589062 /nfs/dbraw/zinc/58/90/62/1289589062.db2.gz GYNKLPGPXYUMEV-UHFFFAOYSA-N 0 2 367.387 0.823 20 5 FCBDLN CN(C)C=Cc1cc(Nc2c(O)[nH]c(=O)[nH]c2=S)ncc1[N+](=O)[O-] ZINC001160854608 850206269 /nfs/dbraw/zinc/20/62/69/850206269.db2.gz XHXYRCIQPGYZQR-FSIBCCDJSA-N 0 2 350.360 0.469 20 5 FCBDLN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CCOC[C@@H](O)C2)c1 ZINC000295419996 214296090 /nfs/dbraw/zinc/29/60/90/214296090.db2.gz WYRILMYGBNBZHW-VIFPVBQESA-N 0 2 350.780 0.938 20 5 FCBDLN NS(=O)(=O)c1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2O)cc1 ZINC000436954318 248054332 /nfs/dbraw/zinc/05/43/32/248054332.db2.gz VKXQZZADHJGWOS-UHFFFAOYSA-N 0 2 351.340 0.878 20 5 FCBDLN NC(=O)c1ccc(CNS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])cn1 ZINC000441558313 248255168 /nfs/dbraw/zinc/25/51/68/248255168.db2.gz WUWWIVVATSSHDY-UHFFFAOYSA-N 0 2 354.319 0.706 20 5 FCBDLN CNS(=O)(=O)c1ccc(NCCCc2n[nH]c(=O)[nH]2)c([N+](=O)[O-])c1 ZINC000471256629 250096825 /nfs/dbraw/zinc/09/68/25/250096825.db2.gz IXAPNWDSEQTIIV-UHFFFAOYSA-N 0 2 356.364 0.371 20 5 FCBDLN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)[O-] ZINC000323919791 488904188 /nfs/dbraw/zinc/90/41/88/488904188.db2.gz UZFOYYIOQKJKIE-LLVKDONJSA-N 0 2 354.344 0.601 20 5 FCBDLN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)[O-] ZINC000323919791 488904193 /nfs/dbraw/zinc/90/41/93/488904193.db2.gz UZFOYYIOQKJKIE-LLVKDONJSA-N 0 2 354.344 0.601 20 5 FCBDLN Cc1ccc(S(=O)(=O)N[C@H](Cc2c[nH+]c[nH]2)C(=O)[O-])cc1[N+](=O)[O-] ZINC000323871709 488904301 /nfs/dbraw/zinc/90/43/01/488904301.db2.gz RQZUZZZINYOFSF-LLVKDONJSA-N 0 2 354.344 0.601 20 5 FCBDLN Cc1ccc(S(=O)(=O)N[C@H](Cc2c[nH]c[nH+]2)C(=O)[O-])cc1[N+](=O)[O-] ZINC000323871709 488904302 /nfs/dbraw/zinc/90/43/02/488904302.db2.gz RQZUZZZINYOFSF-LLVKDONJSA-N 0 2 354.344 0.601 20 5 FCBDLN C[C@@]1(C[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])cc2O)NC(=O)NC1=O ZINC000288066318 488939881 /nfs/dbraw/zinc/93/98/81/488939881.db2.gz YPIGKIYLZGCTET-QFYYESIMSA-N 0 2 362.342 0.893 20 5 FCBDLN CN(C1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1)S(C)(=O)=O ZINC000057557159 488272959 /nfs/dbraw/zinc/27/29/59/488272959.db2.gz BGUOMMAJEMTBCW-UHFFFAOYSA-N 0 2 357.388 0.796 20 5 FCBDLN CN(C)C(=O)Cn1cc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cn1 ZINC000066585192 488332134 /nfs/dbraw/zinc/33/21/34/488332134.db2.gz ZJAVKMDMTFWIIB-UHFFFAOYSA-N 0 2 353.360 0.680 20 5 FCBDLN CS(=O)(=O)N[C@H]1CCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000268184244 488394769 /nfs/dbraw/zinc/39/47/69/488394769.db2.gz CZCGNSLNWNJPPK-QWRGUYRKSA-N 0 2 357.388 0.748 20 5 FCBDLN C[C@H](C(=O)[O-])[NH+]1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000261624726 488527811 /nfs/dbraw/zinc/52/78/11/488527811.db2.gz GNHFVFGGMCPJNW-SNVBAGLBSA-N 0 2 357.388 0.593 20 5 FCBDLN COC(=O)CCCONC(=O)CNC(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000290699785 489158946 /nfs/dbraw/zinc/15/89/46/489158946.db2.gz QMAQHHKMXKBLQE-UHFFFAOYSA-N 0 2 369.330 0.334 20 5 FCBDLN Nc1c(C(=O)N2CCC[C@H](c3n[nH]c(=O)[nH]3)C2)cc(F)cc1[N+](=O)[O-] ZINC000282983092 489203740 /nfs/dbraw/zinc/20/37/40/489203740.db2.gz TYIVDUBPANYGHQ-ZETCQYMHSA-N 0 2 350.310 0.747 20 5 FCBDLN CS(=O)(=O)NC[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000298754324 489360564 /nfs/dbraw/zinc/36/05/64/489360564.db2.gz NELQFZKIPYOLQD-SNVBAGLBSA-N 0 2 357.388 0.702 20 5 FCBDLN CC(C)NS(=O)(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1 ZINC000457844305 489658707 /nfs/dbraw/zinc/65/87/07/489658707.db2.gz JKBRLDKVHUITIU-UHFFFAOYSA-N 0 2 372.403 0.301 20 5 FCBDLN CCOC(=O)c1cc(S(=O)(=O)Nc2ccncc2[N+](=O)[O-])cn1C ZINC000461114610 489896187 /nfs/dbraw/zinc/89/61/87/489896187.db2.gz SVRYRNPDEWSLRZ-UHFFFAOYSA-N 0 2 354.344 0.728 20 5 FCBDLN COc1cc(C(=O)NCCCc2n[nH]c(=O)[nH]2)cc([N+](=O)[O-])c1OC ZINC000480039603 490153417 /nfs/dbraw/zinc/15/34/17/490153417.db2.gz OTBXPCDHQIPOJU-UHFFFAOYSA-N 0 2 351.319 0.798 20 5 FCBDLN Cc1c(C(=O)NCCCc2n[nH]c(=O)[nH]2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000480037497 490154596 /nfs/dbraw/zinc/15/45/96/490154596.db2.gz QLGQTSZYJFUSQH-UHFFFAOYSA-N 0 2 372.345 0.670 20 5 FCBDLN CC(C)OCCS(=O)(=O)NCC(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000483437321 490317164 /nfs/dbraw/zinc/31/71/64/490317164.db2.gz GGKFVYDWOJZXNH-UHFFFAOYSA-N 0 2 361.376 0.583 20 5 FCBDLN CNC(=O)c1cc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2O)cn1C ZINC000467764782 490338685 /nfs/dbraw/zinc/33/86/85/490338685.db2.gz BEQJRFHUJOEABA-UHFFFAOYSA-N 0 2 354.344 0.799 20 5 FCBDLN NC(=O)CNC(=O)c1ccc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])cc1 ZINC000509555593 490439249 /nfs/dbraw/zinc/43/92/49/490439249.db2.gz JESXZWURWXIXGM-UHFFFAOYSA-N 0 2 358.310 0.768 20 5 FCBDLN Cc1nc(S(=O)(=O)NCC(=O)Nc2cc([N+](=O)[O-])ccc2O)cn1C ZINC000536202617 490560735 /nfs/dbraw/zinc/56/07/35/490560735.db2.gz CWQUIPPPPLHCPI-UHFFFAOYSA-N 0 2 369.359 0.259 20 5 FCBDLN Cn1cc[nH+]c1[C@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])C(C)(C)CO ZINC000572618419 491382159 /nfs/dbraw/zinc/38/21/59/491382159.db2.gz XXMKHDPITBGYOD-NSHDSACASA-N 0 2 369.403 0.761 20 5 FCBDLN O=C([O-])c1ccc(S(=O)(=O)N[C@@H]2CCn3cc[nH+]c3C2)c([N+](=O)[O-])c1 ZINC000574210392 491481469 /nfs/dbraw/zinc/48/14/69/491481469.db2.gz JMOSGGDLRCOCCM-SNVBAGLBSA-N 0 2 366.355 0.783 20 5 FCBDLN Cc1[nH]ncc1CCCNC(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000585681799 491722075 /nfs/dbraw/zinc/72/20/75/491722075.db2.gz QXPUAVGGWZAQFT-UHFFFAOYSA-N 0 2 367.387 0.636 20 5 FCBDLN CCc1[nH]nc(C(=O)Nc2ccc(O)c(S(=O)(=O)NC)c2)c1[N+](=O)[O-] ZINC000588713970 491747040 /nfs/dbraw/zinc/74/70/40/491747040.db2.gz AGNDUTKVMVGMJF-UHFFFAOYSA-N 0 2 369.359 0.746 20 5 FCBDLN Cc1c(C(=O)N(C)CC2N=NC(=O)O2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000590546405 491778544 /nfs/dbraw/zinc/77/85/44/491778544.db2.gz GWBHOLJWFFAOME-UHFFFAOYSA-N 0 2 359.302 0.845 20 5 FCBDLN Cc1cc(C2(NS(=O)(=O)c3nn(C)cc3[N+](=O)[O-])CCOCC2)on1 ZINC000599515814 492182557 /nfs/dbraw/zinc/18/25/57/492182557.db2.gz UWPBPUFTOBWILC-UHFFFAOYSA-N 0 2 371.375 0.609 20 5 FCBDLN CNC(=O)Cn1nc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1C ZINC000442248800 536312832 /nfs/dbraw/zinc/31/28/32/536312832.db2.gz HPXQAJIEZARZNH-UHFFFAOYSA-N 0 2 353.360 0.647 20 5 FCBDLN CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000830706332 601295135 /nfs/dbraw/zinc/29/51/35/601295135.db2.gz IVGOAEWTSCKRIM-CQSZACIVSA-N 0 2 367.358 0.058 20 5 FCBDLN CONC(=O)CNc1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000920444759 667239502 /nfs/dbraw/zinc/23/95/02/667239502.db2.gz DPFVISIPDXSIGA-UHFFFAOYSA-N 0 2 357.266 0.978 20 5 FCBDLN NC(=O)c1ccc(SCC(=O)NOC[C@@H]2CCOC2)c([N+](=O)[O-])c1 ZINC000788115255 667951043 /nfs/dbraw/zinc/95/10/43/667951043.db2.gz HDIRLYWHULRWTE-SECBINFHSA-N 0 2 355.372 0.870 20 5 FCBDLN O=C(OCc1n[nH]c(=O)[nH]1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000774949678 668186680 /nfs/dbraw/zinc/18/66/80/668186680.db2.gz LTDLKXONYNXGGI-ZETCQYMHSA-N 0 2 367.343 0.828 20 5 FCBDLN O=C(NCc1ccc(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1F)c1cnn[nH]1 ZINC001017789075 1214148837 /nfs/dbraw/zinc/14/88/37/1214148837.db2.gz VPCFPEDXXXWAGN-ZWNOBZJWSA-N 0 2 362.321 0.155 20 5 FCBDLN O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC2(C1)CCN(C(=O)c1cccc3n[nH]cc31)C2 ZINC001019014346 1214178515 /nfs/dbraw/zinc/17/85/15/1214178515.db2.gz YSRCMSJGIGJRHR-IUODEOHRSA-N 0 2 369.381 0.903 20 5 FCBDLN CN(C)c1ccc(COC(=O)Cn2[nH]cc3c(=O)ncnc2-3)cc1[N+](=O)[O-] ZINC000784506181 1221245661 /nfs/dbraw/zinc/24/56/61/1221245661.db2.gz RKPJOVPLKDZQNG-UHFFFAOYSA-N 0 2 372.341 0.789 20 5 FCBDLN O=C(NC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)c1n[nH]c2ccccc21 ZINC000946706741 1247964159 /nfs/dbraw/zinc/96/41/59/1247964159.db2.gz LUAFBMKQMJBUTL-TZMCWYRMSA-N 0 2 357.370 0.949 20 5 FCBDLN O=C(NC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCC1)c1ccc2[nH]nnc2c1 ZINC001062989161 1254288697 /nfs/dbraw/zinc/28/86/97/1254288697.db2.gz QJBVWCONPQEKQX-ZWNOBZJWSA-N 0 2 358.358 0.392 20 5 FCBDLN CC(C)Oc1ccc([N+](=O)[O-])cc1Cn1c(=O)[nH]cc(-c2nn[nH]n2)c1=O ZINC001589757614 1282982550 /nfs/dbraw/zinc/98/25/50/1282982550.db2.gz GLSWPFZOLAQTLL-UHFFFAOYSA-N 0 2 373.329 0.873 20 5 FCBDLN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1c(-c2nn[nH]n2)cnn1C ZINC001592068506 1285107951 /nfs/dbraw/zinc/10/79/51/1285107951.db2.gz JEGULAGSTMWYOQ-UHFFFAOYSA-N 0 2 364.347 0.618 20 5 FCBDLN O=c1[nH]c(=O)n(C2CN(c3c(F)cccc3[N+](=O)[O-])C2)cc1-c1nn[nH]n1 ZINC001593488413 1286177912 /nfs/dbraw/zinc/17/79/12/1286177912.db2.gz LMAZOEXIMUKGCN-UHFFFAOYSA-N 0 2 374.292 0.238 20 5 FCBDLN O=C([O-])[C@H](Cc1c[nH]c[nH+]1)NC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC001601342646 1286731788 /nfs/dbraw/zinc/73/17/88/1286731788.db2.gz NKBNDAYKGHXMOI-NSHDSACASA-N 0 2 352.278 0.648 20 5 FCBDLN O=C([O-])[C@H](Cc1c[nH+]c[nH]1)NC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC001601342646 1286731792 /nfs/dbraw/zinc/73/17/92/1286731792.db2.gz NKBNDAYKGHXMOI-NSHDSACASA-N 0 2 352.278 0.648 20 5 FCBDLN O=C([O-])CN(CC[NH+]1CCOCC1)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001602054993 1286913800 /nfs/dbraw/zinc/91/38/00/1286913800.db2.gz BPHXBSUFJNHQNU-UHFFFAOYSA-N 0 2 363.374 0.690 20 5 FCBDLN COC(=O)[C@H]1C[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1C(=O)[O-] ZINC001606430147 1288311055 /nfs/dbraw/zinc/31/10/55/1288311055.db2.gz MYLMOYGBVUBPMI-UWVGGRQHSA-N 0 2 351.315 0.339 20 5 FCBDLN COC(=O)[C@H]1C[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1C(=O)[O-] ZINC001606430147 1288311058 /nfs/dbraw/zinc/31/10/58/1288311058.db2.gz MYLMOYGBVUBPMI-UWVGGRQHSA-N 0 2 351.315 0.339 20 5 FCBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCS(=O)(=O)[C@H]2COCC[C@H]21 ZINC001161286065 850249263 /nfs/dbraw/zinc/24/92/63/850249263.db2.gz VEPZMJALIDUIKW-YPMHNXCESA-N 0 2 356.356 0.329 20 5 FCBDLN CCOC(=O)c1[n-]c(=O)nc(O[C@@H](C)C[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC001226018775 857078759 /nfs/dbraw/zinc/07/87/59/857078759.db2.gz RRSFUTISIQQOIW-VIFPVBQESA-N 0 2 356.335 0.367 20 5 FCBDLN COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[NH+](CCC(=O)[O-])CC1 ZINC001330051065 872438679 /nfs/dbraw/zinc/43/86/79/872438679.db2.gz UPMXMHNVBBMNDD-UHFFFAOYSA-N 0 2 373.387 0.384 20 5 FCBDLN CC[N@H+](CC(=O)[O-])CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001596222093 983612755 /nfs/dbraw/zinc/61/27/55/983612755.db2.gz FUFNYARFRSFKAF-UHFFFAOYSA-N 0 2 350.375 0.650 20 5 FCBDLN CC[N@@H+](CC(=O)[O-])CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001596222093 983612756 /nfs/dbraw/zinc/61/27/56/983612756.db2.gz FUFNYARFRSFKAF-UHFFFAOYSA-N 0 2 350.375 0.650 20 5 FCBDLN CCNC(=O)C[N@@H+]1CCCN(c2nc(C)cc(C(=O)[O-])c2[N+](=O)[O-])CC1 ZINC001596462015 984173991 /nfs/dbraw/zinc/17/39/91/984173991.db2.gz PKUHPTWPMHCWMB-UHFFFAOYSA-N 0 2 365.390 0.645 20 5 FCBDLN CCNC(=O)C[N@H+]1CCCN(c2nc(C)cc(C(=O)[O-])c2[N+](=O)[O-])CC1 ZINC001596462015 984173994 /nfs/dbraw/zinc/17/39/94/984173994.db2.gz PKUHPTWPMHCWMB-UHFFFAOYSA-N 0 2 365.390 0.645 20 5 FCBDLN CC(C)(C(N)=O)[NH+]1CCN(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC001589682252 987718512 /nfs/dbraw/zinc/71/85/12/987718512.db2.gz SJHVRBRFJNDZKM-UHFFFAOYSA-N 0 2 350.375 0.675 20 5 FCBDLN C[N@H+](Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001598506584 992510614 /nfs/dbraw/zinc/51/06/14/992510614.db2.gz DFBOEUGRGFHIMW-GFCCVEGCSA-N 0 2 357.388 0.759 20 5 FCBDLN C[N@@H+](Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001598506584 992510619 /nfs/dbraw/zinc/51/06/19/992510619.db2.gz DFBOEUGRGFHIMW-GFCCVEGCSA-N 0 2 357.388 0.759 20 5 FCBDLN COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@H](C(=O)[O-])C[C@H](O)C1 ZINC001599462301 998294199 /nfs/dbraw/zinc/29/41/99/998294199.db2.gz XMQXIQHSAAWQGQ-KOLCDFICSA-N 0 2 353.331 0.309 20 5 FCBDLN COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@H](C(=O)[O-])C[C@H](O)C1 ZINC001599462301 998294212 /nfs/dbraw/zinc/29/42/12/998294212.db2.gz XMQXIQHSAAWQGQ-KOLCDFICSA-N 0 2 353.331 0.309 20 5 FCBDLN Cc1nn(CC(=O)c2c(N)n(CC(C)C)c(=O)n(C)c2=O)cc1[N+](=O)[O-] ZINC000295426450 214295882 /nfs/dbraw/zinc/29/58/82/214295882.db2.gz UPBAAVYKRCPECP-UHFFFAOYSA-N 0 2 364.362 0.081 20 5 FCBDLN O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)N2CCOC[C@H](O)C2)c1 ZINC000295436974 214296109 /nfs/dbraw/zinc/29/61/09/214296109.db2.gz YBEMHGNLEZKLEN-MRVPVSSYSA-N 0 2 354.743 0.769 20 5 FCBDLN O=C(c1ccc([N+](=O)[O-])s1)N1CCC[C@H]1C(=O)N1CCNC(=O)C1 ZINC000331386429 214988204 /nfs/dbraw/zinc/98/82/04/214988204.db2.gz CLOMGKAOGIXABR-VIFPVBQESA-N 0 2 352.372 0.219 20 5 FCBDLN Cn1cc([C@@H]2C[S@](=O)CCN2C(=O)c2ccc([N+](=O)[O-])c(O)c2)cn1 ZINC000277695397 212389503 /nfs/dbraw/zinc/38/95/03/212389503.db2.gz RBIYJAQGMYGLFD-ZJWNCGCPSA-N 0 2 364.383 0.980 20 5 FCBDLN CNC(=O)Cn1cc(NS(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])cn1 ZINC000276927810 212308102 /nfs/dbraw/zinc/30/81/02/212308102.db2.gz QTDQLNWQEMECBU-UHFFFAOYSA-N 0 2 367.387 0.955 20 5 FCBDLN NS(=O)(=O)c1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2O)s1 ZINC000436950895 248055181 /nfs/dbraw/zinc/05/51/81/248055181.db2.gz XATNONLALUWECD-UHFFFAOYSA-N 0 2 357.369 0.939 20 5 FCBDLN CCOC(=O)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1 ZINC000266428737 210336102 /nfs/dbraw/zinc/33/61/02/210336102.db2.gz HXCAKCQCOGAVDT-UHFFFAOYSA-N 0 2 351.315 0.148 20 5 FCBDLN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ncn(CC(=O)N(C)C)n1 ZINC000266354646 210326127 /nfs/dbraw/zinc/32/61/27/210326127.db2.gz QJJMWSSCHVVBDT-UHFFFAOYSA-N 0 2 368.375 0.384 20 5 FCBDLN COCCO[C@H]1C[C@H](CO)CN(C(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000278526854 488880015 /nfs/dbraw/zinc/88/00/15/488880015.db2.gz GYYZBHCGKHYMLY-AAEUAGOBSA-N 0 2 354.359 0.786 20 5 FCBDLN Cn1cc([C@@H]2C[S@@](=O)CCN2C(=O)c2ccc([N+](=O)[O-])cc2O)cn1 ZINC000278717885 488891569 /nfs/dbraw/zinc/89/15/69/488891569.db2.gz UFWIMSUAAJMNNC-CANCMXDXSA-N 0 2 364.383 0.980 20 5 FCBDLN COCCO[C@H]1C[C@H](CO)CN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000278761956 488894115 /nfs/dbraw/zinc/89/41/15/488894115.db2.gz VHLOHSOEBICPPO-AAEUAGOBSA-N 0 2 354.359 0.786 20 5 FCBDLN O=C([O-])[C@H](Cc1c[nH+]c[nH]1)NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000323880422 488904352 /nfs/dbraw/zinc/90/43/52/488904352.db2.gz UKLXRSKQFGZJJV-VIFPVBQESA-N 0 2 374.762 0.946 20 5 FCBDLN O=C([O-])[C@H](Cc1c[nH]c[nH+]1)NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000323880422 488904354 /nfs/dbraw/zinc/90/43/54/488904354.db2.gz UKLXRSKQFGZJJV-VIFPVBQESA-N 0 2 374.762 0.946 20 5 FCBDLN C[C@@]1(C[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(O)c2)NC(=O)NC1=O ZINC000288017595 488933000 /nfs/dbraw/zinc/93/30/00/488933000.db2.gz WJJLNEFSHYQJJX-QFYYESIMSA-N 0 2 362.342 0.893 20 5 FCBDLN CS(=O)(=O)NC[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000274761523 488732463 /nfs/dbraw/zinc/73/24/63/488732463.db2.gz RQISALAKOOOVIH-SNVBAGLBSA-N 0 2 357.388 0.702 20 5 FCBDLN O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CCC[C@H](c2nc(=O)[nH][nH]2)C1 ZINC000283031742 489208584 /nfs/dbraw/zinc/20/85/84/489208584.db2.gz YOFLYKWZRQIYHQ-QMMMGPOBSA-N 0 2 362.302 0.934 20 5 FCBDLN CC(C)NS(=O)(=O)[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000372114678 489546466 /nfs/dbraw/zinc/54/64/66/489546466.db2.gz XHJXCHAWDYJZOT-NSHDSACASA-N 0 2 357.388 0.843 20 5 FCBDLN O=C(Cn1ccc([N+](=O)[O-])n1)NCc1nnc(COc2ccccc2)[nH]1 ZINC000474594194 489772891 /nfs/dbraw/zinc/77/28/91/489772891.db2.gz NRNZZWNHJYVOAW-UHFFFAOYSA-N 0 2 357.330 0.805 20 5 FCBDLN CS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccncc2[N+](=O)[O-])cc1 ZINC000461108507 489896915 /nfs/dbraw/zinc/89/69/15/489896915.db2.gz QHGOVHBPZCAWES-UHFFFAOYSA-N 0 2 357.369 0.616 20 5 FCBDLN O=C(NCc1n[nH]c(=O)[nH]1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000480476100 490196013 /nfs/dbraw/zinc/19/60/13/490196013.db2.gz HTKLFBHPKLELLT-SSDOTTSWSA-N 0 2 366.359 0.401 20 5 FCBDLN O=C([O-])c1ccc([N+](=O)[O-])c(NCC[NH+]2CCN(c3ncccn3)CC2)n1 ZINC000521441274 490263301 /nfs/dbraw/zinc/26/33/01/490263301.db2.gz JFDCRJJUALIRSE-UHFFFAOYSA-N 0 2 373.373 0.712 20 5 FCBDLN O=C([O-])c1cccc(S(=O)(=O)N[C@H]2CCn3cc[nH+]c3C2)c1[N+](=O)[O-] ZINC000521882506 490306540 /nfs/dbraw/zinc/30/65/40/490306540.db2.gz JJSWCPYNZRKDAA-VIFPVBQESA-N 0 2 366.355 0.783 20 5 FCBDLN CN(C)C(=O)Cn1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000509574490 490440925 /nfs/dbraw/zinc/44/09/25/490440925.db2.gz RYJRIOARZCYFLC-UHFFFAOYSA-N 0 2 353.360 0.680 20 5 FCBDLN COC(=O)Cn1cnc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)n1 ZINC000468884010 490460129 /nfs/dbraw/zinc/46/01/29/490460129.db2.gz HPRGDRQZMFMUEX-UHFFFAOYSA-N 0 2 371.331 0.169 20 5 FCBDLN COC(=O)c1cnc(NS(=O)(=O)Cc2ccccc2[N+](=O)[O-])cn1 ZINC000468907292 490462079 /nfs/dbraw/zinc/46/20/79/490462079.db2.gz JSPZUIGEAFUYDP-UHFFFAOYSA-N 0 2 352.328 1.113 20 5 FCBDLN O=C(c1ccc(=O)[nH]c1)N1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1 ZINC000501849624 490647037 /nfs/dbraw/zinc/64/70/37/490647037.db2.gz YJQQTRCGUPOOFA-UHFFFAOYSA-N 0 2 372.337 0.999 20 5 FCBDLN Cn1c(=O)c2cc(C(=O)Nc3ccc(O)c([N+](=O)[O-])c3)cnc2n(C)c1=O ZINC000541590426 490866997 /nfs/dbraw/zinc/86/69/97/490866997.db2.gz JTTGPWTUFQUSSV-UHFFFAOYSA-N 0 2 371.309 0.498 20 5 FCBDLN C[C@@]1(C[C@H]2CCCN2C(=O)c2cc(O)ccc2[N+](=O)[O-])NC(=O)NC1=O ZINC000557608910 491386561 /nfs/dbraw/zinc/38/65/61/491386561.db2.gz KFUVSGVHQOLDFB-ABKXIKBNSA-N 0 2 362.342 0.893 20 5 FCBDLN O=C([O-])c1cnc(NCC[NH+]2CCN(c3ncccn3)CC2)c([N+](=O)[O-])c1 ZINC000573003880 491406946 /nfs/dbraw/zinc/40/69/46/491406946.db2.gz DRCHQRXNYUSQBE-UHFFFAOYSA-N 0 2 373.373 0.712 20 5 FCBDLN Cc1cc(N(C)C[C@H](O)C[NH+]2CCOCC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000573924076 491462926 /nfs/dbraw/zinc/46/29/26/491462926.db2.gz QNHLZRLEEWPNKG-ZDUSSCGKSA-N 0 2 353.375 0.731 20 5 FCBDLN CCOC(=O)c1csc(NS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])n1 ZINC000600665381 491873925 /nfs/dbraw/zinc/87/39/25/491873925.db2.gz MJHJZRZJPLSHQI-UHFFFAOYSA-N 0 2 361.361 0.762 20 5 FCBDLN COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cnn(CCO)c1 ZINC000612004577 491890620 /nfs/dbraw/zinc/89/06/20/491890620.db2.gz BFTGIMOBSLIBSV-UHFFFAOYSA-N 0 2 370.343 0.371 20 5 FCBDLN NS(=O)(=O)c1ccc(N2N=C(c3ccc([N+](=O)[O-])cc3)CC2=O)nc1 ZINC000603921253 492047704 /nfs/dbraw/zinc/04/77/04/492047704.db2.gz NJWAAIQJDFTGLS-UHFFFAOYSA-N 0 2 361.339 0.778 20 5 FCBDLN NS(=O)(=O)NC[C@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000597737891 492062683 /nfs/dbraw/zinc/06/26/83/492062683.db2.gz RYHOEFLWDUVSHO-SNVBAGLBSA-N 0 2 358.376 0.088 20 5 FCBDLN CS(=O)(=O)c1cccnc1CNS(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000618710013 492235814 /nfs/dbraw/zinc/23/58/14/492235814.db2.gz FFVQGHYTIAHEAH-UHFFFAOYSA-N 0 2 372.384 0.267 20 5 FCBDLN COC(=O)[C@@H]1CC[C@H](C(=O)OC)N(C(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000600335547 492262433 /nfs/dbraw/zinc/26/24/33/492262433.db2.gz YXNKCBBUINRVIX-BXKDBHETSA-N 0 2 366.326 0.867 20 5 FCBDLN CS(=O)(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000600356817 492264259 /nfs/dbraw/zinc/26/42/59/492264259.db2.gz NOFCYOITIBKVOB-VXGBXAGGSA-N 0 2 357.388 0.891 20 5 FCBDLN COC(=O)CCN1CC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2O)C1=O ZINC000436957181 536457002 /nfs/dbraw/zinc/45/70/02/536457002.db2.gz SJCUAHDQJXNQGA-NSHDSACASA-N 0 2 351.315 0.194 20 5 FCBDLN CC(C)[C@@H](CNS(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1)[NH+]1CCOCC1 ZINC000591885866 546942293 /nfs/dbraw/zinc/94/22/93/546942293.db2.gz ZGRNWZQNXPQLDF-CQSZACIVSA-N 0 2 373.431 0.936 20 5 FCBDLN O=c1[nH]nc([C@@H]2CCCN(S(=O)(=O)c3ncccc3[N+](=O)[O-])C2)[nH]1 ZINC000594778595 547009470 /nfs/dbraw/zinc/00/94/70/547009470.db2.gz LQWTUSPONQWCFF-MRVPVSSYSA-N 0 2 354.348 0.382 20 5 FCBDLN COc1cc(C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)[O-])c([N+](=O)[O-])cc1OC ZINC000737848573 599778412 /nfs/dbraw/zinc/77/84/12/599778412.db2.gz DLXXWMOJNYHYBN-JTQLQIEISA-N 0 2 364.314 0.761 20 5 FCBDLN COc1cc(C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)[O-])c([N+](=O)[O-])cc1OC ZINC000737848573 599778414 /nfs/dbraw/zinc/77/84/14/599778414.db2.gz DLXXWMOJNYHYBN-JTQLQIEISA-N 0 2 364.314 0.761 20 5 FCBDLN Cn1c[nH+]c2c1CCN(c1ccc(C(=O)NCC(=O)[O-])cc1[N+](=O)[O-])C2 ZINC000739048843 599969119 /nfs/dbraw/zinc/96/91/19/599969119.db2.gz QNGPANISWZSTHB-UHFFFAOYSA-N 0 2 359.342 0.705 20 5 FCBDLN COC(=O)CN(CC(=O)[O-])C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000737609325 600170616 /nfs/dbraw/zinc/17/06/16/600170616.db2.gz XTDJLQJOHYJHPU-UHFFFAOYSA-N 0 2 362.298 0.480 20 5 FCBDLN O=C([O-])CN(CC[NH+]1CCOCC1)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000739792531 600671277 /nfs/dbraw/zinc/67/12/77/600671277.db2.gz VIDJQVKRJHOKPW-UHFFFAOYSA-N 0 2 363.374 0.621 20 5 FCBDLN O=C([O-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1NC[C@H](O)C[NH+]1CCOCC1 ZINC000833307000 604630229 /nfs/dbraw/zinc/63/02/29/604630229.db2.gz IRPFHBHGKTUAGV-JTQLQIEISA-N 0 2 370.318 0.306 20 5 FCBDLN CCn1cc(-c2nn[nH]n2)c(=O)n(Cc2ccc([N+](=O)[O-])cc2F)c1=O ZINC000821565187 606170795 /nfs/dbraw/zinc/17/07/95/606170795.db2.gz HUDZEJZZAQZSFE-UHFFFAOYSA-N 0 2 361.293 0.306 20 5 FCBDLN CCc1nn(CCn2ccc([N+](=O)[O-])n2)c(=O)c(-c2nn[nH]n2)c1CC ZINC000821517067 606329899 /nfs/dbraw/zinc/32/98/99/606329899.db2.gz GBORECIISYUUOL-UHFFFAOYSA-N 0 2 359.350 0.353 20 5 FCBDLN CN1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CC1 ZINC000826033357 608299283 /nfs/dbraw/zinc/29/92/83/608299283.db2.gz AXJCTHUHGCFJBT-UHFFFAOYSA-N 0 2 367.391 0.101 20 5 FCBDLN CNC(=O)Cn1cc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2F)cn1 ZINC000742027527 668025034 /nfs/dbraw/zinc/02/50/34/668025034.db2.gz GYBJYELQERRMHR-UHFFFAOYSA-N 0 2 371.350 0.786 20 5 FCBDLN CS(=O)(=O)CCn1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)n1 ZINC000773127212 668074314 /nfs/dbraw/zinc/07/43/14/668074314.db2.gz LXZHFNXKGGDTJB-UHFFFAOYSA-N 0 2 354.344 0.794 20 5 FCBDLN CN(C)C(=O)Cn1cnc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)n1 ZINC000768862110 668102505 /nfs/dbraw/zinc/10/25/05/668102505.db2.gz FRIFVYMVVSJBPW-UHFFFAOYSA-N 0 2 360.377 0.137 20 5 FCBDLN Cc1cc(S(=O)(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)[O-])cc([N+](=O)[O-])c1F ZINC000776437869 668262284 /nfs/dbraw/zinc/26/22/84/668262284.db2.gz OCMSWYBWYQLPLV-JTQLQIEISA-N 0 2 372.334 0.740 20 5 FCBDLN Cc1cc(S(=O)(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)[O-])cc([N+](=O)[O-])c1F ZINC000776437869 668262289 /nfs/dbraw/zinc/26/22/89/668262289.db2.gz OCMSWYBWYQLPLV-JTQLQIEISA-N 0 2 372.334 0.740 20 5 FCBDLN N=C1NC(=O)[C@@H](CC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)S1 ZINC000787504043 668800160 /nfs/dbraw/zinc/80/01/60/668800160.db2.gz XOOJOUAXXGTQRE-LLVKDONJSA-N 0 2 350.356 0.741 20 5 FCBDLN O=C(NC[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)c1ccc2[nH]nnc2c1 ZINC000979746948 1186112723 /nfs/dbraw/zinc/11/27/23/1186112723.db2.gz JOJQDNKLPCMWKA-IDTAVKCVSA-N 0 2 358.358 0.248 20 5 FCBDLN O=C(NC1CN(C(=O)c2c[nH]c3ccccc3c2=O)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000991289079 1195863093 /nfs/dbraw/zinc/86/30/93/1195863093.db2.gz VTMLZBVUXVITDM-BXUZGUMPSA-N 0 2 356.338 0.134 20 5 FCBDLN Cc1nc(C[N@H+](CCO)C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c(C)o1 ZINC001098366256 1197721472 /nfs/dbraw/zinc/72/14/72/1197721472.db2.gz YNXJQORSSJASJO-GDBMZVCRSA-N 0 2 366.418 0.742 20 5 FCBDLN Cc1cnc(COC(=O)Cn2[nH]cc3c(=O)ncnc2-3)c(C)c1[N+](=O)[O-] ZINC000789442553 1201003242 /nfs/dbraw/zinc/00/32/42/1201003242.db2.gz IXEDKNXVQDYOQG-UHFFFAOYSA-N 0 2 358.314 0.735 20 5 FCBDLN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)C(=O)NC[C@@H]1CCC=CO1 ZINC000805500347 1201553314 /nfs/dbraw/zinc/55/33/14/1201553314.db2.gz KAEDSDQFCDZMTN-NSHDSACASA-N 0 2 359.342 0.896 20 5 FCBDLN COc1c(C(=O)N2CCC(N(C)C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cnn1C ZINC000953926933 1213024062 /nfs/dbraw/zinc/02/40/62/1213024062.db2.gz JCAMKWHROOJGAD-DGCLKSJQSA-N 0 2 365.390 0.157 20 5 FCBDLN O=C(NCC1=CCN(C(=O)c2ccc3[nH]nnc3c2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001017445138 1213867157 /nfs/dbraw/zinc/86/71/57/1213867157.db2.gz FGXBZUXXTRQGFW-IUODEOHRSA-N 0 2 370.369 0.512 20 5 FCBDLN O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC2(C1)CCN(C(=O)c1cccc3[nH]cnc31)C2 ZINC001019015319 1214179676 /nfs/dbraw/zinc/17/96/76/1214179676.db2.gz RDUBESQVENXADT-TZMCWYRMSA-N 0 2 369.381 0.903 20 5 FCBDLN O=C(c1ccc2[nH]nnc2c1)N1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@H]2C1 ZINC000961550426 1214223205 /nfs/dbraw/zinc/22/32/05/1214223205.db2.gz DJRKIDUNTJFIJX-NWJSVONSSA-N 0 2 370.369 0.154 20 5 FCBDLN O=[N+]([O-])c1cc(F)c(S(=O)(=O)N[C@@H](CO)c2c[nH]nn2)cc1Cl ZINC001578048868 1275340247 /nfs/dbraw/zinc/34/02/47/1275340247.db2.gz RGTGOCCLUBQGMM-QMMMGPOBSA-N 0 2 365.730 0.517 20 5 FCBDLN Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC([C@@H](O)C(=O)[O-])CC1 ZINC001600305445 1286475297 /nfs/dbraw/zinc/47/52/97/1286475297.db2.gz ZGKIXALMJLKUEV-OAHLLOKOSA-N 0 2 351.359 0.999 20 5 FCBDLN O=C([O-])[C@@H](Cn1cc[nH+]c1)NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC001601391127 1286739607 /nfs/dbraw/zinc/73/96/07/1286739607.db2.gz JMOFLTKDIVUJAQ-GFCCVEGCSA-N 0 2 358.314 0.411 20 5 FCBDLN O=C(NCc1cc(F)c(-c2nn[nH]n2)c(F)c1)c1n[nH]cc1[N+](=O)[O-] ZINC001609552774 1289218856 /nfs/dbraw/zinc/21/88/56/1289218856.db2.gz OWBAFERXIUEOSR-UHFFFAOYSA-N 0 2 350.245 0.706 20 5 FCBDLN Cc1c([N+](=O)[O-])cc(C(=O)NCCCc2n[nH]c(=O)[nH]2)cc1[N+](=O)[O-] ZINC000748383181 836299892 /nfs/dbraw/zinc/29/98/92/836299892.db2.gz SZXKPHKDSGUQDK-UHFFFAOYSA-N 0 2 350.291 0.998 20 5 FCBDLN O=[N+]([O-])c1ccc(CCO[C@H](C[NH+]2CCOCC2)CS(=O)(=O)[O-])cc1 ZINC001224330086 856979477 /nfs/dbraw/zinc/97/94/77/856979477.db2.gz CDOCVSCKVMVHAV-OAHLLOKOSA-N 0 2 374.415 0.743 20 5 FCBDLN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CC[NH+](CCC(=O)[O-])CC2)c1C ZINC001320434695 868166064 /nfs/dbraw/zinc/16/60/64/868166064.db2.gz OPTMUFGCXXYMQX-UHFFFAOYSA-N 0 2 371.415 0.993 20 5 FCBDLN CC(C)(C(=O)[O-])[NH+]1CCN(S(=O)(=O)c2cccnc2[N+](=O)[O-])CC1 ZINC001589631424 987538682 /nfs/dbraw/zinc/53/86/82/987538682.db2.gz PXIHNRKRNPWXQT-UHFFFAOYSA-N 0 2 358.376 0.159 20 5 FCBDLN CNC(=O)C[N@@H+]1CCCN(C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC001598643776 994352861 /nfs/dbraw/zinc/35/28/61/994352861.db2.gz WFTPSIDWMGGNIE-UHFFFAOYSA-N 0 2 364.358 0.187 20 5 FCBDLN CNC(=O)C[N@H+]1CCCN(C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC001598643776 994352869 /nfs/dbraw/zinc/35/28/69/994352869.db2.gz WFTPSIDWMGGNIE-UHFFFAOYSA-N 0 2 364.358 0.187 20 5 FCBDLN CCOC(=O)Cn1cnc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)n1 ZINC000424220505 247180226 /nfs/dbraw/zinc/18/02/26/247180226.db2.gz IPFPSSSLWWWNJA-UHFFFAOYSA-N 0 2 369.359 0.859 20 5 FCBDLN Cn1c(=O)c2cc(NC(=O)c3ccc(O)c([N+](=O)[O-])c3)cnc2n(C)c1=O ZINC000436948648 248055378 /nfs/dbraw/zinc/05/53/78/248055378.db2.gz PDLKZBYAUHNNSP-UHFFFAOYSA-N 0 2 371.309 0.498 20 5 FCBDLN COC(=O)Cn1cnc(NS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])n1 ZINC000437311703 248062329 /nfs/dbraw/zinc/06/23/29/248062329.db2.gz VUEYLESWVKWGLV-UHFFFAOYSA-N 0 2 355.332 0.469 20 5 FCBDLN CS(=O)(=O)N1CCC(CNC(=O)c2cc([N+](=O)[O-])ccc2O)CC1 ZINC000271338636 211381919 /nfs/dbraw/zinc/38/19/19/211381919.db2.gz ZZWPYBSCYUAIBJ-UHFFFAOYSA-N 0 2 357.388 0.702 20 5 FCBDLN NC(=O)c1ccc(N2CCN(C(=O)c3cc(O)ccc3[N+](=O)[O-])CC2)nc1 ZINC000481569086 250342196 /nfs/dbraw/zinc/34/21/96/250342196.db2.gz KZZBYBMOCMFSBX-UHFFFAOYSA-N 0 2 371.353 0.757 20 5 FCBDLN CS(=O)(=O)N1CCC(CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1 ZINC000299674831 488866186 /nfs/dbraw/zinc/86/61/86/488866186.db2.gz ZZECTXNTBPUCRV-UHFFFAOYSA-N 0 2 357.388 0.702 20 5 FCBDLN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)[O-] ZINC000323991820 488904730 /nfs/dbraw/zinc/90/47/30/488904730.db2.gz CIKLMPBLMXQIRU-NSHDSACASA-N 0 2 354.344 0.601 20 5 FCBDLN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)[O-] ZINC000323991820 488904733 /nfs/dbraw/zinc/90/47/33/488904733.db2.gz CIKLMPBLMXQIRU-NSHDSACASA-N 0 2 354.344 0.601 20 5 FCBDLN O=C([O-])[C@@H](Cc1c[nH+]c[nH]1)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000324627901 488905988 /nfs/dbraw/zinc/90/59/88/488905988.db2.gz SYFVKXWCAJMLBR-SNVBAGLBSA-N 0 2 358.307 0.431 20 5 FCBDLN O=C([O-])[C@@H](Cc1c[nH]c[nH+]1)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000324627901 488905991 /nfs/dbraw/zinc/90/59/91/488905991.db2.gz SYFVKXWCAJMLBR-SNVBAGLBSA-N 0 2 358.307 0.431 20 5 FCBDLN O=C([O-])[C@H](Cc1c[nH+]c[nH]1)NS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000324448422 488906203 /nfs/dbraw/zinc/90/62/03/488906203.db2.gz FSIUQFMIMXQBGS-NSHDSACASA-N 0 2 354.344 0.433 20 5 FCBDLN O=C([O-])[C@H](Cc1c[nH]c[nH+]1)NS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000324448422 488906205 /nfs/dbraw/zinc/90/62/05/488906205.db2.gz FSIUQFMIMXQBGS-NSHDSACASA-N 0 2 354.344 0.433 20 5 FCBDLN O=C(Cn1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cn1)NC1CC1 ZINC000055640770 488245396 /nfs/dbraw/zinc/24/53/96/488245396.db2.gz OJDQYJSDNVQIIB-UHFFFAOYSA-N 0 2 365.371 0.871 20 5 FCBDLN CS(=O)(=O)N[C@@H]1CCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000268184238 488394786 /nfs/dbraw/zinc/39/47/86/488394786.db2.gz CZCGNSLNWNJPPK-GHMZBOCLSA-N 0 2 357.388 0.748 20 5 FCBDLN CCS(=O)(=O)NC1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000274578954 488721307 /nfs/dbraw/zinc/72/13/07/488721307.db2.gz ABWIQOGIYQQERF-UHFFFAOYSA-N 0 2 357.388 0.844 20 5 FCBDLN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)[O-] ZINC000274946836 488747027 /nfs/dbraw/zinc/74/70/27/488747027.db2.gz RWYABNJPESVHCX-LBPRGKRZSA-N 0 2 368.371 0.909 20 5 FCBDLN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)[O-] ZINC000274946836 488747029 /nfs/dbraw/zinc/74/70/29/488747029.db2.gz RWYABNJPESVHCX-LBPRGKRZSA-N 0 2 368.371 0.909 20 5 FCBDLN CNC(=O)Cn1cc(NS(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)cn1 ZINC000267236870 488771638 /nfs/dbraw/zinc/77/16/38/488771638.db2.gz XLGUTYSEMIIOIH-UHFFFAOYSA-N 0 2 367.387 0.955 20 5 FCBDLN O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@H](F)C(F)(F)F ZINC000290435100 489139986 /nfs/dbraw/zinc/13/99/86/489139986.db2.gz IFMUEOOQWMHECY-VIFPVBQESA-N 0 2 373.284 0.890 20 5 FCBDLN O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C(F)C(F)(F)F ZINC000290435100 489139991 /nfs/dbraw/zinc/13/99/91/489139991.db2.gz IFMUEOOQWMHECY-VIFPVBQESA-N 0 2 373.284 0.890 20 5 FCBDLN O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@@H](F)C(F)(F)F ZINC000290703810 489159506 /nfs/dbraw/zinc/15/95/06/489159506.db2.gz NNKFWUKCRRKUGB-SECBINFHSA-N 0 2 373.284 0.890 20 5 FCBDLN O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C(F)C(F)(F)F ZINC000290703810 489159507 /nfs/dbraw/zinc/15/95/07/489159507.db2.gz NNKFWUKCRRKUGB-SECBINFHSA-N 0 2 373.284 0.890 20 5 FCBDLN CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000372114677 489546288 /nfs/dbraw/zinc/54/62/88/489546288.db2.gz XHJXCHAWDYJZOT-LLVKDONJSA-N 0 2 357.388 0.843 20 5 FCBDLN C[C@@]1(C2CCN(C(=O)c3ccc([N+](=O)[O-])cc3O)CC2)NC(=O)NC1=O ZINC000372241530 489562934 /nfs/dbraw/zinc/56/29/34/489562934.db2.gz OPGHIYSYKDIKIJ-INIZCTEOSA-N 0 2 362.342 0.751 20 5 FCBDLN COC(=O)CNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000416316187 489582626 /nfs/dbraw/zinc/58/26/26/489582626.db2.gz APNDEHDJAOPVAG-NSHDSACASA-N 0 2 351.315 0.194 20 5 FCBDLN Cc1noc(CNS(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)n1 ZINC000428058894 489635327 /nfs/dbraw/zinc/63/53/27/489635327.db2.gz PDACIMUKESZQGM-UHFFFAOYSA-N 0 2 356.316 0.536 20 5 FCBDLN O=C(Cn1cc([N+](=O)[O-])cn1)NCc1nnc(COc2ccccc2)[nH]1 ZINC000474583106 489771003 /nfs/dbraw/zinc/77/10/03/489771003.db2.gz HGIZHTVQPXEVGB-UHFFFAOYSA-N 0 2 357.330 0.805 20 5 FCBDLN Cc1cc(C)c(S(=O)(=O)Nc2ccn(CC(N)=O)n2)cc1[N+](=O)[O-] ZINC000491834216 489812266 /nfs/dbraw/zinc/81/22/66/489812266.db2.gz YACJFMXGSBPGOD-UHFFFAOYSA-N 0 2 353.360 0.694 20 5 FCBDLN O=C(NCCCc1n[nH]c(=O)[nH]1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000478811708 490039657 /nfs/dbraw/zinc/03/96/57/490039657.db2.gz FSSHYTVEZCTSQP-UHFFFAOYSA-N 0 2 357.330 0.967 20 5 FCBDLN COc1cc(S(=O)(=O)Nc2ccnc3ncnn32)ccc1[N+](=O)[O-] ZINC000479125119 490068127 /nfs/dbraw/zinc/06/81/27/490068127.db2.gz UGHALQLSRMSCCS-UHFFFAOYSA-N 0 2 350.316 0.842 20 5 FCBDLN C[C@]1(C2CCN(C(=O)c3cc([N+](=O)[O-])ccc3O)CC2)NC(=O)NC1=O ZINC000378547570 490088204 /nfs/dbraw/zinc/08/82/04/490088204.db2.gz JGYISAMZWWJFLR-MRXNPFEDSA-N 0 2 362.342 0.751 20 5 FCBDLN CCc1ccc(S(=O)(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)[O-])cc1[N+](=O)[O-] ZINC000519816349 490088578 /nfs/dbraw/zinc/08/85/78/490088578.db2.gz FCPJNSDCHFVQEI-LBPRGKRZSA-N 0 2 368.371 0.855 20 5 FCBDLN CCc1ccc(S(=O)(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)[O-])cc1[N+](=O)[O-] ZINC000519816349 490088582 /nfs/dbraw/zinc/08/85/82/490088582.db2.gz FCPJNSDCHFVQEI-LBPRGKRZSA-N 0 2 368.371 0.855 20 5 FCBDLN O=C1COc2ccc(S(=O)(=O)Nc3ccncc3[N+](=O)[O-])cc2N1 ZINC000521323924 490249726 /nfs/dbraw/zinc/24/97/26/490249726.db2.gz PNYJSZPRAPQCPI-UHFFFAOYSA-N 0 2 350.312 0.543 20 5 FCBDLN NC(=O)CNC(=O)c1ccc(CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)cc1 ZINC000509797189 490465911 /nfs/dbraw/zinc/46/59/11/490465911.db2.gz XPAOHZSFYDFKHC-UHFFFAOYSA-N 0 2 372.337 0.446 20 5 FCBDLN CNC(=O)Cn1nc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)cc1C ZINC000504229399 490792562 /nfs/dbraw/zinc/79/25/62/490792562.db2.gz HHAIUJGLPJGMTQ-UHFFFAOYSA-N 0 2 367.387 0.955 20 5 FCBDLN O=C(CNS(=O)(=O)c1cccnc1)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000518019164 490928452 /nfs/dbraw/zinc/92/84/52/490928452.db2.gz MPMDNSDQAFUMBF-UHFFFAOYSA-N 0 2 352.328 0.612 20 5 FCBDLN CCn1cc(S(=O)(=O)N=c2cc[nH]cc2C(=O)OC)c([N+](=O)[O-])n1 ZINC000581242690 491765489 /nfs/dbraw/zinc/76/54/89/491765489.db2.gz OJKYOCZTGZKVGA-UHFFFAOYSA-N 0 2 355.332 0.216 20 5 FCBDLN C[C@@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2O)C(=O)N1c1cnn(C)c1 ZINC000613978239 492007330 /nfs/dbraw/zinc/00/73/30/492007330.db2.gz BVZSPNLYVVISIV-NOZJJQNGSA-N 0 2 359.342 0.958 20 5 FCBDLN CN(CC1N=NC(=O)O1)C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 ZINC000598743524 492116663 /nfs/dbraw/zinc/11/66/63/492116663.db2.gz BPTLQVJDUVVAAG-UHFFFAOYSA-N 0 2 363.286 0.067 20 5 FCBDLN Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2CC[C@@](O)(C(F)(F)F)C2)n1 ZINC000599311043 492158335 /nfs/dbraw/zinc/15/83/35/492158335.db2.gz BFXVLTLEXXKRLC-RCOVLWMOSA-N 0 2 358.298 0.453 20 5 FCBDLN COCc1nnc(CNS(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)[nH]1 ZINC000594828961 547015426 /nfs/dbraw/zinc/01/54/26/547015426.db2.gz YRBSNECFRWNRKO-UHFFFAOYSA-N 0 2 357.348 0.346 20 5 FCBDLN O=C([O-])CCC[NH+]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000262247885 597765973 /nfs/dbraw/zinc/76/59/73/597765973.db2.gz PAQRLFXKDKXTHT-UHFFFAOYSA-N 0 2 357.388 0.766 20 5 FCBDLN Cc1cc(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)n[nH]1 ZINC000826266970 607620240 /nfs/dbraw/zinc/62/02/40/607620240.db2.gz KCWHSMXWFMEWNL-UHFFFAOYSA-N 0 2 364.347 0.285 20 5 FCBDLN O=C([O-])[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000833767555 605126207 /nfs/dbraw/zinc/12/62/07/605126207.db2.gz HBUQRTQBKYGZAP-JSGCOSHPSA-N 0 2 373.325 0.623 20 5 FCBDLN O=C([O-])[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000833767555 605126211 /nfs/dbraw/zinc/12/62/11/605126211.db2.gz HBUQRTQBKYGZAP-JSGCOSHPSA-N 0 2 373.325 0.623 20 5 FCBDLN CCOc1nnc(CNC2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)s1 ZINC000996439906 666920447 /nfs/dbraw/zinc/92/04/47/666920447.db2.gz ISHWHAHEWQFTMZ-GHMZBOCLSA-N 0 2 355.420 0.683 20 5 FCBDLN O=C([O-])[C@H](Cc1c[nH]c[nH+]1)NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000776468326 668264555 /nfs/dbraw/zinc/26/45/55/668264555.db2.gz AWDAJQWMSSXEDT-ZDUSSCGKSA-N 0 2 368.371 0.476 20 5 FCBDLN O=C([O-])[C@H](Cc1c[nH+]c[nH]1)NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000776468326 668264558 /nfs/dbraw/zinc/26/45/58/668264558.db2.gz AWDAJQWMSSXEDT-ZDUSSCGKSA-N 0 2 368.371 0.476 20 5 FCBDLN CN(C)c1cc(F)c(C(=O)NCCCc2n[nH]c(=O)[nH]2)cc1[N+](=O)[O-] ZINC000826543557 669499075 /nfs/dbraw/zinc/49/90/75/669499075.db2.gz TVUCZJXEEQBQAS-UHFFFAOYSA-N 0 2 352.326 0.986 20 5 FCBDLN Cn1nnc(CNS(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])n1 ZINC000815039179 669896870 /nfs/dbraw/zinc/89/68/70/669896870.db2.gz FSJZEXGGHAHKME-UHFFFAOYSA-N 0 2 350.719 0.389 20 5 FCBDLN O=C(c1cc(C(F)F)[nH]n1)N1[C@@H]2CC[C@H]1CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C2 ZINC000969943561 1168226492 /nfs/dbraw/zinc/22/64/92/1168226492.db2.gz IBKYOFUJZKLNCF-JXVAYASWSA-N 0 2 369.328 0.828 20 5 FCBDLN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)C(=O)NC[C@H]1CCC=CO1 ZINC000805500340 1201553258 /nfs/dbraw/zinc/55/32/58/1201553258.db2.gz KAEDSDQFCDZMTN-LLVKDONJSA-N 0 2 359.342 0.896 20 5 FCBDLN Cc1nc2c(cccc2C(=O)N2CC(N(C)C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)[nH]1 ZINC000954239299 1213050377 /nfs/dbraw/zinc/05/03/77/1213050377.db2.gz DHYJCBJARWFDJN-TZMCWYRMSA-N 0 2 357.370 0.819 20 5 FCBDLN CN(C(=O)c1c[nH]c2ccccc2c1=O)C1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000954723882 1213105541 /nfs/dbraw/zinc/10/55/41/1213105541.db2.gz DGNBTHNXUVSIDL-IUODEOHRSA-N 0 2 370.365 0.476 20 5 FCBDLN CCN(C(=O)c1cccc2n[nH]cc21)C1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000968206265 1215298210 /nfs/dbraw/zinc/29/82/10/1215298210.db2.gz OKCHFHFTDFWMEH-IUODEOHRSA-N 0 2 357.370 0.901 20 5 FCBDLN CC(C)c1nc(CN2CC3(C2)CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCO3)n[nH]1 ZINC001053252405 1218877110 /nfs/dbraw/zinc/87/71/10/1218877110.db2.gz UROGXSZBPSFXGV-VXGBXAGGSA-N 0 2 364.406 0.007 20 5 FCBDLN Cc1cc(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC000839783393 1222756836 /nfs/dbraw/zinc/75/68/36/1222756836.db2.gz YSTQFLMHWYMUBY-AAVRWANBSA-N 0 2 362.342 0.880 20 5 FCBDLN Cc1cc(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc(NC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC000839783393 1222756838 /nfs/dbraw/zinc/75/68/38/1222756838.db2.gz YSTQFLMHWYMUBY-AAVRWANBSA-N 0 2 362.342 0.880 20 5 FCBDLN Cc1c(-c2nn[nH]n2)c(=O)n(CCOc2ccccc2[N+](=O)[O-])c(=O)n1C ZINC001580522816 1278445311 /nfs/dbraw/zinc/44/53/11/1278445311.db2.gz VXGGAXACUREOJR-UHFFFAOYSA-N 0 2 373.329 0.023 20 5 FCBDLN COC(=O)c1ccc([N+](=O)[O-])c(Cn2cnc(-c3nn[nH]n3)cc2=O)c1 ZINC001591299219 1284452217 /nfs/dbraw/zinc/45/22/17/1284452217.db2.gz REVQOMLGYIGAKR-UHFFFAOYSA-N 0 2 357.286 0.167 20 5 FCBDLN Cc1c(-c2nn[nH]n2)c(=O)n(CCOc2ccc([N+](=O)[O-])cc2)c(=O)n1C ZINC001591793579 1284908025 /nfs/dbraw/zinc/90/80/25/1284908025.db2.gz CJSDUPPEOWQQEP-UHFFFAOYSA-N 0 2 373.329 0.023 20 5 FCBDLN COC(=O)c1cc(-c2nn[nH]n2)c(=O)n(/C=C\c2ccc([N+](=O)[O-])o2)c1 ZINC001604964082 1287821764 /nfs/dbraw/zinc/82/17/64/1287821764.db2.gz GUERTGRQAYAHCH-PLNGDYQASA-N 0 2 358.270 0.944 20 5 FCBDLN C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNc1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC001606195021 1288206104 /nfs/dbraw/zinc/20/61/04/1288206104.db2.gz FBGZQGYOGXZYIJ-MRXNPFEDSA-N 0 2 366.374 0.716 20 5 FCBDLN C[N@H+]1C2(CCC2)COC[C@]1(CO)CNc1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC001606195021 1288206107 /nfs/dbraw/zinc/20/61/07/1288206107.db2.gz FBGZQGYOGXZYIJ-MRXNPFEDSA-N 0 2 366.374 0.716 20 5 FCBDLN COC(=O)[C@@H]1CC[C@H](C(=O)[O-])C[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001606386047 1288282022 /nfs/dbraw/zinc/28/20/22/1288282022.db2.gz MSKRYQHXPAZXNF-FPMFFAJLSA-N 0 2 352.343 0.966 20 5 FCBDLN COC(=O)[C@@H]1CC[C@H](C(=O)[O-])C[N@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001606386047 1288282028 /nfs/dbraw/zinc/28/20/28/1288282028.db2.gz MSKRYQHXPAZXNF-FPMFFAJLSA-N 0 2 352.343 0.966 20 5 FCBDLN COC(=O)[C@@H]1C[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1C(=O)[O-] ZINC001606430148 1288311089 /nfs/dbraw/zinc/31/10/89/1288311089.db2.gz MYLMOYGBVUBPMI-VHSXEESVSA-N 0 2 351.315 0.339 20 5 FCBDLN COC(=O)[C@@H]1C[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1C(=O)[O-] ZINC001606430148 1288311092 /nfs/dbraw/zinc/31/10/92/1288311092.db2.gz MYLMOYGBVUBPMI-VHSXEESVSA-N 0 2 351.315 0.339 20 5 FCBDLN COc1cc(C(=O)N[C@H](Cc2c[nH]c[nH+]2)C(=O)[O-])c([N+](=O)[O-])cc1F ZINC001607084908 1288651858 /nfs/dbraw/zinc/65/18/58/1288651858.db2.gz CBEHAWYOQBKVAP-SNVBAGLBSA-N 0 2 352.278 0.891 20 5 FCBDLN COc1cc(C(=O)N[C@H](Cc2c[nH+]c[nH]2)C(=O)[O-])c([N+](=O)[O-])cc1F ZINC001607084908 1288651862 /nfs/dbraw/zinc/65/18/62/1288651862.db2.gz CBEHAWYOQBKVAP-SNVBAGLBSA-N 0 2 352.278 0.891 20 5 FCBDLN C[C@H]1C[N@H+](CCC(=O)[O-])CCN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC001594524755 986026669 /nfs/dbraw/zinc/02/66/69/986026669.db2.gz CWFYCVUHPZXWBX-NSHDSACASA-N 0 2 357.388 0.764 20 5 FCBDLN C[C@H]1C[N@@H+](CCC(=O)[O-])CCN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC001594524755 986026677 /nfs/dbraw/zinc/02/66/77/986026677.db2.gz CWFYCVUHPZXWBX-NSHDSACASA-N 0 2 357.388 0.764 20 5 FCBDLN C[C@H]1C[N@H+](CCC(=O)[O-])CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC001594525039 986031425 /nfs/dbraw/zinc/03/14/25/986031425.db2.gz HKCLZQNTNHUCEN-NSHDSACASA-N 0 2 357.388 0.764 20 5 FCBDLN C[C@H]1C[N@@H+](CCC(=O)[O-])CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC001594525039 986031436 /nfs/dbraw/zinc/03/14/36/986031436.db2.gz HKCLZQNTNHUCEN-NSHDSACASA-N 0 2 357.388 0.764 20 5 FCBDLN CCOc1ccc(NC(=O)C[NH2+][C@@]2(C(=O)[O-])CCOC2)c([N+](=O)[O-])c1 ZINC001597118583 986800119 /nfs/dbraw/zinc/80/01/19/986800119.db2.gz VUHSRZHXWAPZNM-HNNXBMFYSA-N 0 2 353.331 0.765 20 5 FCBDLN COC(=O)[C@H]1C[N@H+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C[C@@H]1C(=O)[O-] ZINC001598821670 996335315 /nfs/dbraw/zinc/33/53/15/996335315.db2.gz LOTUEWXURRMYTK-QWRGUYRKSA-N 0 2 365.342 0.647 20 5 FCBDLN COC(=O)[C@H]1C[N@@H+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C[C@@H]1C(=O)[O-] ZINC001598821670 996335322 /nfs/dbraw/zinc/33/53/22/996335322.db2.gz LOTUEWXURRMYTK-QWRGUYRKSA-N 0 2 365.342 0.647 20 5 FCBDLN COC(=O)c1ccc(S(=O)(=O)Nc2nc(C)n(C)n2)c([N+](=O)[O-])c1 ZINC000292503846 214104708 /nfs/dbraw/zinc/10/47/08/214104708.db2.gz PIXYQZBXNHDFNQ-UHFFFAOYSA-N 0 2 355.332 0.619 20 5 FCBDLN NS(=O)(=O)c1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2O)s1 ZINC000436951220 248055425 /nfs/dbraw/zinc/05/54/25/248055425.db2.gz FMUODFMXCOYROE-UHFFFAOYSA-N 0 2 357.369 0.939 20 5 FCBDLN O=C(NCCN1c2ccccc2NS1(=O)=O)c1n[nH]cc1[N+](=O)[O-] ZINC000473269608 250211963 /nfs/dbraw/zinc/21/19/63/250211963.db2.gz NVOVMBBWHPEURA-UHFFFAOYSA-N 0 2 352.332 0.225 20 5 FCBDLN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ncn(CC(=O)NC)n1 ZINC000266380831 210330091 /nfs/dbraw/zinc/33/00/91/210330091.db2.gz XRALDFDSQMTULM-UHFFFAOYSA-N 0 2 368.375 0.296 20 5 FCBDLN Cc1cc(S(=O)(=O)N[C@H](Cc2c[nH+]c[nH]2)C(=O)[O-])cc([N+](=O)[O-])c1C ZINC000328315841 488921818 /nfs/dbraw/zinc/92/18/18/488921818.db2.gz PNINOTFUERKJDP-GFCCVEGCSA-N 0 2 368.371 0.909 20 5 FCBDLN Cc1cc(S(=O)(=O)N[C@H](Cc2c[nH]c[nH+]2)C(=O)[O-])cc([N+](=O)[O-])c1C ZINC000328315841 488921822 /nfs/dbraw/zinc/92/18/22/488921822.db2.gz PNINOTFUERKJDP-GFCCVEGCSA-N 0 2 368.371 0.909 20 5 FCBDLN C[C@]1(C[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])cc2O)NC(=O)NC1=O ZINC000288066313 488940180 /nfs/dbraw/zinc/94/01/80/488940180.db2.gz YPIGKIYLZGCTET-MGPLVRAMSA-N 0 2 362.342 0.893 20 5 FCBDLN O=C(NCCNc1ccc([N+](=O)[O-])cc1)c1c[nH]c2nc(=O)[nH]c(=O)c-2c1 ZINC000047404620 488024795 /nfs/dbraw/zinc/02/47/95/488024795.db2.gz OSFKXKZIGBGBJI-UHFFFAOYSA-N 0 2 370.325 0.774 20 5 FCBDLN Cc1ccc(S(=O)(=O)Nc2cnn(CC(=O)N(C)C)c2)cc1[N+](=O)[O-] ZINC000066585171 488332304 /nfs/dbraw/zinc/33/23/04/488332304.db2.gz NKNJFBXDPJRTQI-UHFFFAOYSA-N 0 2 367.387 0.989 20 5 FCBDLN O=C(NCCOc1ccc([N+](=O)[O-])cc1)c1c[nH]c2nc(=O)[nH]c(=O)c-2c1 ZINC000068519704 488366848 /nfs/dbraw/zinc/36/68/48/488366848.db2.gz TYMOPPZZMOZJOJ-UHFFFAOYSA-N 0 2 371.309 0.741 20 5 FCBDLN CS(=O)(=O)N[C@H]1CCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000268184241 488394476 /nfs/dbraw/zinc/39/44/76/488394476.db2.gz CZCGNSLNWNJPPK-MNOVXSKESA-N 0 2 357.388 0.748 20 5 FCBDLN C[C@@H](C(=O)[O-])[NH+]1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000261624718 488527840 /nfs/dbraw/zinc/52/78/40/488527840.db2.gz GNHFVFGGMCPJNW-JTQLQIEISA-N 0 2 357.388 0.593 20 5 FCBDLN Nc1nsc(N2CCN(C(=O)c3cc([N+](=O)[O-])ccc3O)CC2)n1 ZINC000272463338 488582650 /nfs/dbraw/zinc/58/26/50/488582650.db2.gz YBUGCGIRDCVXAU-UHFFFAOYSA-N 0 2 350.360 0.697 20 5 FCBDLN O=C(N[C@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1)c1ccc([N+](=O)[O-])cc1O ZINC000274731720 488730602 /nfs/dbraw/zinc/73/06/02/488730602.db2.gz BKBHLWUIQUKYST-BONVTDFDSA-N 0 2 370.383 0.767 20 5 FCBDLN O=c1nc([C@@H]2CCCN(S(=O)(=O)c3c(F)cccc3[N+](=O)[O-])C2)[nH][nH]1 ZINC000288964980 489032788 /nfs/dbraw/zinc/03/27/88/489032788.db2.gz QFGQPJBSUPUMOO-MRVPVSSYSA-N 0 2 371.350 0.714 20 5 FCBDLN O=[N+]([O-])c1cccnc1N1CCN(S(=O)(=O)NCC(F)(F)F)CC1 ZINC000416496455 489601710 /nfs/dbraw/zinc/60/17/10/489601710.db2.gz PLLWTNLTHMZITN-UHFFFAOYSA-N 0 2 369.325 0.509 20 5 FCBDLN CNS(=O)(=O)c1cc(NC(=O)c2n[nH]c(C)c2[N+](=O)[O-])ccc1O ZINC000509071720 490385912 /nfs/dbraw/zinc/38/59/12/490385912.db2.gz RGCGZBDHWQODRA-UHFFFAOYSA-N 0 2 355.332 0.492 20 5 FCBDLN COc1ccc(S(=O)(=O)Nc2ccc(C(N)=O)nc2)c([N+](=O)[O-])c1 ZINC000501284795 490594027 /nfs/dbraw/zinc/59/40/27/490594027.db2.gz LGOYDPYZYBYCJH-UHFFFAOYSA-N 0 2 352.328 0.898 20 5 FCBDLN O=C([O-])c1cccc(S(=O)(=O)NCC[N@H+]2CC=CCC2)c1[N+](=O)[O-] ZINC000576588395 491627297 /nfs/dbraw/zinc/62/72/97/491627297.db2.gz PITIPVQCKUAQHH-UHFFFAOYSA-N 0 2 355.372 0.833 20 5 FCBDLN O=C([O-])c1cccc(S(=O)(=O)NCC[N@@H+]2CC=CCC2)c1[N+](=O)[O-] ZINC000576588395 491627299 /nfs/dbraw/zinc/62/72/99/491627299.db2.gz PITIPVQCKUAQHH-UHFFFAOYSA-N 0 2 355.372 0.833 20 5 FCBDLN O=C([O-])c1cc(S(=O)(=O)NCC[N@H+]2CC=CCC2)ccc1[N+](=O)[O-] ZINC000579237187 491693751 /nfs/dbraw/zinc/69/37/51/491693751.db2.gz YAHACDZUNYYXLS-UHFFFAOYSA-N 0 2 355.372 0.833 20 5 FCBDLN O=C([O-])c1cc(S(=O)(=O)NCC[N@@H+]2CC=CCC2)ccc1[N+](=O)[O-] ZINC000579237187 491693752 /nfs/dbraw/zinc/69/37/52/491693752.db2.gz YAHACDZUNYYXLS-UHFFFAOYSA-N 0 2 355.372 0.833 20 5 FCBDLN CCOC(=O)c1nnc(NS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])s1 ZINC000600667964 491874406 /nfs/dbraw/zinc/87/44/06/491874406.db2.gz JPWWKTUTGIJPSY-UHFFFAOYSA-N 0 2 362.349 0.157 20 5 FCBDLN COc1c(F)cc(S(=O)(=O)Nc2cnn(CCO)c2)cc1[N+](=O)[O-] ZINC000614479561 492032347 /nfs/dbraw/zinc/03/23/47/492032347.db2.gz ULHGLBCYHSTANJ-UHFFFAOYSA-N 0 2 360.323 0.732 20 5 FCBDLN CC(C)OCc1nc([C@H](C)NS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])no1 ZINC000599310692 492158615 /nfs/dbraw/zinc/15/86/15/492158615.db2.gz ZXOUZCDHWKPQCM-QMMMGPOBSA-N 0 2 374.379 0.676 20 5 FCBDLN Cc1nc([C@](C)(NS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C2CC2)no1 ZINC000599317487 492159643 /nfs/dbraw/zinc/15/96/43/492159643.db2.gz KGHWRTAPEWPTOQ-GFCCVEGCSA-N 0 2 356.364 0.623 20 5 FCBDLN COC(=O)[C@H]1CC[C@@H](C(=O)OC)N(C(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000600335550 492262407 /nfs/dbraw/zinc/26/24/07/492262407.db2.gz YXNKCBBUINRVIX-CABZTGNLSA-N 0 2 366.326 0.867 20 5 FCBDLN CC(=O)NCC(=O)N1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2O)CC1 ZINC000600408971 492267545 /nfs/dbraw/zinc/26/75/45/492267545.db2.gz FPEJMPCDUFWPST-UHFFFAOYSA-N 0 2 364.358 0.111 20 5 FCBDLN Cn1[nH]c(=O)c2c1nc(C1CC1)cc2C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000156980788 534666078 /nfs/dbraw/zinc/66/60/78/534666078.db2.gz IDRQWPJXNBFSRX-UHFFFAOYSA-N 0 2 371.357 0.674 20 5 FCBDLN COC(=O)Cn1cnc(NS(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)n1 ZINC000437310745 536386372 /nfs/dbraw/zinc/38/63/72/536386372.db2.gz XYKDASNFRRCLKU-UHFFFAOYSA-N 0 2 371.331 0.169 20 5 FCBDLN O=c1[nH]nc([C@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cn3)C2)[nH]1 ZINC000593595921 546981476 /nfs/dbraw/zinc/98/14/76/546981476.db2.gz LCDIGOJGKWRODY-QMMMGPOBSA-N 0 2 354.348 0.382 20 5 FCBDLN CCOCc1nc([C@@H](C)NS(=O)(=O)c2ncccc2[N+](=O)[O-])no1 ZINC000594775472 547008328 /nfs/dbraw/zinc/00/83/28/547008328.db2.gz AVIXGTLSDRQBHT-MRVPVSSYSA-N 0 2 357.348 0.949 20 5 FCBDLN O=C([O-])CN(CC[NH+]1CCOCC1)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000739791428 600671266 /nfs/dbraw/zinc/67/12/66/600671266.db2.gz OOSDVSKKSMWBGI-UHFFFAOYSA-N 0 2 363.374 0.621 20 5 FCBDLN CN1CCC[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)C1 ZINC000826034676 607594129 /nfs/dbraw/zinc/59/41/29/607594129.db2.gz VLKDPPMEYYPMRJ-VIFPVBQESA-N 0 2 367.391 0.147 20 5 FCBDLN Cn1cc(-c2nn[nH]n2)c(=O)n(Cc2ccc(Cl)c([N+](=O)[O-])c2)c1=O ZINC000826356658 608095761 /nfs/dbraw/zinc/09/57/61/608095761.db2.gz ABQMWUYSVUGRDL-UHFFFAOYSA-N 0 2 363.721 0.337 20 5 FCBDLN Cn1cc(-c2nn[nH]n2)c(=O)n(Cc2ccc(Cl)cc2[N+](=O)[O-])c1=O ZINC000826356686 608096550 /nfs/dbraw/zinc/09/65/50/608096550.db2.gz AWJYWNSZYXCUKF-UHFFFAOYSA-N 0 2 363.721 0.337 20 5 FCBDLN O=C(N[C@@H]1[C@H]2CN(C(=O)c3cc(C(F)F)[nH]n3)C[C@H]21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000976496542 664386332 /nfs/dbraw/zinc/38/63/32/664386332.db2.gz WASFDKPJTZCWDE-DRGKHVIXSA-N 0 2 355.301 0.199 20 5 FCBDLN O=C([N-]S(=O)(=O)[C@@H]1CCOC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000835162956 669987924 /nfs/dbraw/zinc/98/79/24/669987924.db2.gz XTUQCPNETYWHIU-LLVKDONJSA-N 0 2 366.355 0.629 20 5 FCBDLN CN(CC1CCN(C(=O)CCc2cnn[nH]2)CC1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000988647976 1192366053 /nfs/dbraw/zinc/36/60/53/1192366053.db2.gz GIHQQUNJCQGDDD-ZIAGYGMSSA-N 0 2 364.406 0.100 20 5 FCBDLN COc1cccnc1C(=O)N1CCC(N(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000953926874 1213023880 /nfs/dbraw/zinc/02/38/80/1213023880.db2.gz FQKYDBCLCWWODH-CHWSQXEVSA-N 0 2 362.386 0.818 20 5 FCBDLN Cc1nn[nH]c1C(=O)N1C[C@@]2(C)CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@@]2(C)C1 ZINC001010976908 1213824991 /nfs/dbraw/zinc/82/49/91/1213824991.db2.gz ZWWOFQGLWVECMP-WVATUKLVSA-N 0 2 362.390 0.089 20 5 FCBDLN O=C(c1ccc(-c2nnc[nH]2)cc1)N1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001011114448 1213830144 /nfs/dbraw/zinc/83/01/44/1213830144.db2.gz HOEUEJZHMAPMFE-ZIAGYGMSSA-N 0 2 370.369 0.421 20 5 FCBDLN O=C(c1cccc2nn[nH]c21)N1CC2(C1)CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C2 ZINC001019050771 1214184760 /nfs/dbraw/zinc/18/47/60/1214184760.db2.gz WIWLLFVOKFSMOY-DGCLKSJQSA-N 0 2 370.369 0.298 20 5 FCBDLN CN(Cc1ccccc1CNC(=O)c1cnn[nH]1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000963871773 1214865860 /nfs/dbraw/zinc/86/58/60/1214865860.db2.gz RBLJNKDUJDGGDX-TZMCWYRMSA-N 0 2 358.358 0.358 20 5 FCBDLN CN1CC(C(=O)NC[C@H]2CC[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)=NC1=O ZINC000963968790 1214880762 /nfs/dbraw/zinc/88/07/62/1214880762.db2.gz VMUZVOCWAJDQRM-PRULPYPASA-N 0 2 365.390 0.196 20 5 FCBDLN CCN(C(=O)c1occc1C[NH+](C)C)C1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000968294689 1215306213 /nfs/dbraw/zinc/30/62/13/1215306213.db2.gz MLFAJRWBGXEBPP-ZIAGYGMSSA-N 0 2 364.402 0.679 20 5 FCBDLN O=C(NCCC1=CCN(Cc2n[nH]c(C3CC3)n2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001160096917 1223145467 /nfs/dbraw/zinc/14/54/67/1223145467.db2.gz AOKZZJSHMBDZER-ZIAGYGMSSA-N 0 2 360.418 0.986 20 5 FCBDLN Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H](c2c[nH]nn2)c2ccccc2)n1 ZINC001577658973 1274669271 /nfs/dbraw/zinc/66/92/71/1274669271.db2.gz VTCACGBFGVOXHF-GFCCVEGCSA-N 0 2 363.359 0.514 20 5 FCBDLN O=c1[nH]nc([C@@H]2CCCN(c3cc(-c4nn[nH]n4)ccc3[N+](=O)[O-])C2)[nH]1 ZINC001593497393 1286180978 /nfs/dbraw/zinc/18/09/78/1286180978.db2.gz BAIDHGCXKCBTEH-SECBINFHSA-N 0 2 357.334 0.983 20 5 FCBDLN Cn1c[nH+]c(CCNS(=O)(=O)c2cc([N+](=O)[O-])ccc2C(=O)[O-])c1 ZINC001608135927 1288778603 /nfs/dbraw/zinc/77/86/03/1288778603.db2.gz ZKLHDSDDNOTONV-UHFFFAOYSA-N 0 2 354.344 0.548 20 5 FCBDLN O=C(NCCN(Cc1cc(=O)[nH]c(C2CC2)n1)C1CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001753154384 1290620409 /nfs/dbraw/zinc/62/04/09/1290620409.db2.gz GURYWYNORWOLQS-ZIAGYGMSSA-N 0 2 361.402 0.805 20 5 FCBDLN CC(C)CNC(=O)C[N@@H+]1CC=C(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001160107136 850153633 /nfs/dbraw/zinc/15/36/33/850153633.db2.gz JRBGAHQDZULVSS-HUUCEWRRSA-N 0 2 352.435 0.562 20 5 FCBDLN O=[N+]([O-])c1ccccc1CO[C@@H](C[NH+]1CCOCC1)CS(=O)(=O)[O-] ZINC001222760521 856871172 /nfs/dbraw/zinc/87/11/72/856871172.db2.gz QKEJPJOBUKKEFG-ZDUSSCGKSA-N 0 2 360.388 0.700 20 5 FCBDLN O=C(NC1CCN(S(=O)(=O)C2CC2)CC1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000360023917 215352898 /nfs/dbraw/zinc/35/28/98/215352898.db2.gz SWYAHEPLVDUWEL-UHFFFAOYSA-N 0 2 369.399 0.987 20 5 FCBDLN Cc1cc([N+](=O)[O-])c(C)cc1NS(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000276564588 212255364 /nfs/dbraw/zinc/25/53/64/212255364.db2.gz GRNRWUNGSMPWBE-UHFFFAOYSA-N 0 2 368.371 0.410 20 5 FCBDLN CCS(=O)(=O)N1CCN(C(=O)c2cc([N+](=O)[O-])ccc2O)[C@H](C)C1 ZINC000436794902 248051851 /nfs/dbraw/zinc/05/18/51/248051851.db2.gz PLOQWFTWUCOAEZ-SNVBAGLBSA-N 0 2 357.388 0.796 20 5 FCBDLN O=C(NCCN1CCN(c2ncccn2)CC1)c1ccc([N+](=O)[O-])cc1O ZINC000436868752 248053563 /nfs/dbraw/zinc/05/35/63/248053563.db2.gz JVIBFWAXQZOVCP-UHFFFAOYSA-N 0 2 372.385 0.642 20 5 FCBDLN O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC000436969400 248055060 /nfs/dbraw/zinc/05/50/60/248055060.db2.gz YACYVWYKGKDFRT-CQSZACIVSA-N 0 2 365.386 0.864 20 5 FCBDLN COC(=O)Cn1cnc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)n1 ZINC000437308944 248062804 /nfs/dbraw/zinc/06/28/04/248062804.db2.gz NHBOTVAZISCCAR-UHFFFAOYSA-N 0 2 371.331 0.169 20 5 FCBDLN O=C(NCC1([NH+]2CCOCC2)CCOCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000457976398 249623259 /nfs/dbraw/zinc/62/32/59/249623259.db2.gz GVAXUGIEGPOABV-UHFFFAOYSA-N 0 2 365.386 0.912 20 5 FCBDLN Cn1cc([C@H]2C[S@](=O)CCN2C(=O)c2ccc([N+](=O)[O-])cc2O)cn1 ZINC000278717898 488891761 /nfs/dbraw/zinc/89/17/61/488891761.db2.gz UFWIMSUAAJMNNC-YMXBGEKHSA-N 0 2 364.383 0.980 20 5 FCBDLN O=C([O-])[C@H](Cc1c[nH+]c[nH]1)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000328431375 488922207 /nfs/dbraw/zinc/92/22/07/488922207.db2.gz NKOINOFMJGSRHL-JTQLQIEISA-N 0 2 374.762 0.946 20 5 FCBDLN O=C([O-])[C@H](Cc1c[nH]c[nH+]1)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000328431375 488922210 /nfs/dbraw/zinc/92/22/10/488922210.db2.gz NKOINOFMJGSRHL-JTQLQIEISA-N 0 2 374.762 0.946 20 5 FCBDLN CNC(=O)Cn1cc(NS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])cn1 ZINC000055641011 488245643 /nfs/dbraw/zinc/24/56/43/488245643.db2.gz NMSJPOZGCWHBGV-UHFFFAOYSA-N 0 2 353.360 0.647 20 5 FCBDLN O=C(Cc1ccc([N+](=O)[O-])cc1Br)NCc1n[nH]c(=O)[nH]1 ZINC000126964272 488613642 /nfs/dbraw/zinc/61/36/42/488613642.db2.gz UBSOBDAUEXRUAW-UHFFFAOYSA-N 0 2 356.136 0.628 20 5 FCBDLN CCNC(=O)CN1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000273154058 488635203 /nfs/dbraw/zinc/63/52/03/488635203.db2.gz ABGFEPOLJDWTAB-UHFFFAOYSA-N 0 2 350.375 0.584 20 5 FCBDLN CC(C)NC(=O)CN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000273243173 488639584 /nfs/dbraw/zinc/63/95/84/488639584.db2.gz UNSPQXOTMAESMH-UHFFFAOYSA-N 0 2 350.375 0.583 20 5 FCBDLN CC[C@H](C)NC(=O)CN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000273247136 488640239 /nfs/dbraw/zinc/64/02/39/488640239.db2.gz VLIIUHZYKYFLPC-LBPRGKRZSA-N 0 2 364.402 0.973 20 5 FCBDLN O=C(N[C@@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1)c1ccc([N+](=O)[O-])cc1O ZINC000274731714 488730589 /nfs/dbraw/zinc/73/05/89/488730589.db2.gz BKBHLWUIQUKYST-BMIGLBTASA-N 0 2 370.383 0.767 20 5 FCBDLN COC(=O)Cn1cc(S(=O)(=O)Nc2cc(F)cc([N+](=O)[O-])c2)cn1 ZINC000475825941 489852747 /nfs/dbraw/zinc/85/27/47/489852747.db2.gz NBUMULHBMMGKKB-UHFFFAOYSA-N 0 2 358.307 0.904 20 5 FCBDLN O=C(NCCCc1n[nH]c(=O)[nH]1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000478799590 490038631 /nfs/dbraw/zinc/03/86/31/490038631.db2.gz VEFTUXWQMUEHMK-UHFFFAOYSA-N 0 2 358.318 0.362 20 5 FCBDLN COc1ccc(S(=O)(=O)Nc2ccnc3ncnn32)cc1[N+](=O)[O-] ZINC000479140003 490069078 /nfs/dbraw/zinc/06/90/78/490069078.db2.gz WTOLQIVMEOHPPY-UHFFFAOYSA-N 0 2 350.316 0.842 20 5 FCBDLN CCn1cc(S(=O)(=O)Nc2cc(C(=O)OC)n(C)c2)c([N+](=O)[O-])n1 ZINC000534497959 490370814 /nfs/dbraw/zinc/37/08/14/490370814.db2.gz WAPVKDVIKNKIOL-UHFFFAOYSA-N 0 2 357.348 0.737 20 5 FCBDLN CNC(=O)Cn1cc(NS(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])cn1 ZINC000509559598 490439240 /nfs/dbraw/zinc/43/92/40/490439240.db2.gz QTWAHGOJWZPHDF-UHFFFAOYSA-N 0 2 353.360 0.647 20 5 FCBDLN COC(=O)[C@H](NS(=O)(=O)c1ccc(C)cc1[N+](=O)[O-])c1ccn(C)n1 ZINC000468878443 490459737 /nfs/dbraw/zinc/45/97/37/490459737.db2.gz IOASNCUZVUNTNK-CYBMUJFWSA-N 0 2 368.371 0.829 20 5 FCBDLN Cc1cc(S(=O)(=O)Nc2cnn(CC(=O)N(C)C)c2)ccc1[N+](=O)[O-] ZINC000523727612 490489458 /nfs/dbraw/zinc/48/94/58/490489458.db2.gz BDMQEDCDCUGXMS-UHFFFAOYSA-N 0 2 367.387 0.989 20 5 FCBDLN COc1ccc(S(=O)(=O)Nc2ccn(CCC(N)=O)n2)cc1[N+](=O)[O-] ZINC000524007611 490509306 /nfs/dbraw/zinc/50/93/06/490509306.db2.gz SHYPUWAAZCZXKU-UHFFFAOYSA-N 0 2 369.359 0.476 20 5 FCBDLN NC(=O)NC(=O)C1CCC(NC(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000556927125 491344134 /nfs/dbraw/zinc/34/41/34/491344134.db2.gz INNAQQMQPRFYNZ-UHFFFAOYSA-N 0 2 350.331 0.784 20 5 FCBDLN C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000537766488 490694475 /nfs/dbraw/zinc/69/44/75/490694475.db2.gz DJNGLRDXHFWSKV-QMMMGPOBSA-N 0 2 369.359 0.339 20 5 FCBDLN CCOCc1nc([C@@H](C)NS(=O)(=O)c2cccnc2[N+](=O)[O-])no1 ZINC000515479555 490827906 /nfs/dbraw/zinc/82/79/06/490827906.db2.gz UWNQXUYHYZBXSK-MRVPVSSYSA-N 0 2 357.348 0.949 20 5 FCBDLN COC(=O)Cn1cc(S(=O)(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)cn1 ZINC000543858245 490949760 /nfs/dbraw/zinc/94/97/60/490949760.db2.gz JLWKYWUPGJSOGA-UHFFFAOYSA-N 0 2 370.343 0.774 20 5 FCBDLN O=C([O-])c1cc(S(=O)(=O)N[C@@H]2CCn3cc[nH+]c3C2)ccc1[N+](=O)[O-] ZINC000566317464 491435348 /nfs/dbraw/zinc/43/53/48/491435348.db2.gz PCXIJNAGOVRSEG-SECBINFHSA-N 0 2 366.355 0.783 20 5 FCBDLN CS(=O)(=O)Nc1nc2c(s1)CN(C(=O)c1n[nH]cc1[N+](=O)[O-])CC2 ZINC000578679039 491682286 /nfs/dbraw/zinc/68/22/86/491682286.db2.gz WDIXXTJVVXISJU-UHFFFAOYSA-N 0 2 372.388 0.344 20 5 FCBDLN CCOC(=O)c1nc(NS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])oc1C ZINC000600666901 491874210 /nfs/dbraw/zinc/87/42/10/491874210.db2.gz KCRGLUCTLOEPJQ-UHFFFAOYSA-N 0 2 359.320 0.602 20 5 FCBDLN COC(=O)Cn1cnc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)n1 ZINC000598733364 492115827 /nfs/dbraw/zinc/11/58/27/492115827.db2.gz BENKETYZGQINMN-UHFFFAOYSA-N 0 2 369.359 0.777 20 5 FCBDLN COc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)[O-] ZINC000619470206 492264491 /nfs/dbraw/zinc/26/44/91/492264491.db2.gz TXXOMGBDCUPXIY-VIFPVBQESA-N 0 2 370.343 0.301 20 5 FCBDLN COc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)[O-] ZINC000619470206 492264493 /nfs/dbraw/zinc/26/44/93/492264493.db2.gz TXXOMGBDCUPXIY-VIFPVBQESA-N 0 2 370.343 0.301 20 5 FCBDLN O=C(NC[C@H]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)c1cnn[nH]1 ZINC000959760446 674591512 /nfs/dbraw/zinc/59/15/12/674591512.db2.gz GNYJRHRWVWBGMP-PRULPYPASA-N 0 2 350.379 0.122 20 5 FCBDLN O=C(NCCc1csc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839745167 667726225 /nfs/dbraw/zinc/72/62/25/667726225.db2.gz KJQSSFYFSUSJLJ-ZYUZMQFOSA-N 0 2 369.359 0.071 20 5 FCBDLN O=C(NCCc1csc(NC(=O)[C@@H]2CC2[N+](=O)[O-])n1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839745167 667726229 /nfs/dbraw/zinc/72/62/29/667726229.db2.gz KJQSSFYFSUSJLJ-ZYUZMQFOSA-N 0 2 369.359 0.071 20 5 FCBDLN N=C1NC(=O)[C@@H](CC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)S1 ZINC000742476579 668035993 /nfs/dbraw/zinc/03/59/93/668035993.db2.gz AVSSLJORXSFRGC-GFCCVEGCSA-N 0 2 363.399 0.800 20 5 FCBDLN CN(C)C(=O)Cn1cnc(NS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])n1 ZINC000743050016 668043756 /nfs/dbraw/zinc/04/37/56/668043756.db2.gz NGGFLJOVARKMAR-UHFFFAOYSA-N 0 2 372.338 0.214 20 5 FCBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@H]1Nc2ccccc2S(=O)(=O)N1 ZINC000770861139 668224793 /nfs/dbraw/zinc/22/47/93/668224793.db2.gz HIGSJQBIENICPU-ZDUSSCGKSA-N 0 2 364.339 0.969 20 5 FCBDLN O=C([O-])[C@@H](Cc1c[nH]c[nH+]1)NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000776468325 668264605 /nfs/dbraw/zinc/26/46/05/668264605.db2.gz AWDAJQWMSSXEDT-CYBMUJFWSA-N 0 2 368.371 0.476 20 5 FCBDLN O=C([O-])[C@@H](Cc1c[nH+]c[nH]1)NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000776468325 668264608 /nfs/dbraw/zinc/26/46/08/668264608.db2.gz AWDAJQWMSSXEDT-CYBMUJFWSA-N 0 2 368.371 0.476 20 5 FCBDLN CC(C)(C)n1nnc(CNS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])n1 ZINC000848476444 671279681 /nfs/dbraw/zinc/27/96/81/671279681.db2.gz CPSGNGFMOBWGLS-UHFFFAOYSA-N 0 2 358.355 0.954 20 5 FCBDLN Cc1ccc2[nH]nc(C(=O)N[C@H]3C[C@@H](NC(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C3)c2c1 ZINC000974114445 1183002206 /nfs/dbraw/zinc/00/22/06/1183002206.db2.gz GYIYIARBZARKOS-IQOUGMIPSA-N 0 2 357.370 0.914 20 5 FCBDLN O=C(Cn1[nH]cc2c(=O)ncnc1-2)N1CCCc2ccc([N+](=O)[O-])cc21 ZINC000736018183 1197910339 /nfs/dbraw/zinc/91/03/39/1197910339.db2.gz IWNLPYICCAPOGZ-UHFFFAOYSA-N 0 2 354.326 0.959 20 5 FCBDLN Cc1ncc(C(=O)N2C[C@@]3(C)CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C[C@@]3(C)C2)[nH]1 ZINC001010959265 1213823121 /nfs/dbraw/zinc/82/31/21/1213823121.db2.gz UCBFWXPVPOBIEW-ZPUIDXCVSA-N 0 2 361.402 0.694 20 5 FCBDLN O=C(c1cc(C(F)F)[nH]n1)N1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@H]2C1 ZINC000961552336 1214224766 /nfs/dbraw/zinc/22/47/66/1214224766.db2.gz YJILDEPDPLZTII-JXVAYASWSA-N 0 2 369.328 0.543 20 5 FCBDLN Cc1ncc(C(=O)N2C[C@@H]3CCN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])CC[C@@H]3C2)[nH]1 ZINC000967348769 1215232451 /nfs/dbraw/zinc/23/24/51/1215232451.db2.gz KPYMWLGEBAZNRO-QVHKTLOISA-N 0 2 361.402 0.694 20 5 FCBDLN O=C([C@@H]1CC1[N+](=O)[O-])N1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c2ccccc21 ZINC000841235499 1222815605 /nfs/dbraw/zinc/81/56/05/1222815605.db2.gz WGRDJKSRTCZSSD-DMTCVQMQSA-N 0 2 360.326 0.697 20 5 FCBDLN O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c2ccccc21 ZINC000841235499 1222815607 /nfs/dbraw/zinc/81/56/07/1222815607.db2.gz WGRDJKSRTCZSSD-DMTCVQMQSA-N 0 2 360.326 0.697 20 5 FCBDLN Cc1nn[nH]c1C(=O)N1CCC2(CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CC1 ZINC000944401911 1247549526 /nfs/dbraw/zinc/54/95/26/1247549526.db2.gz XZDYYLDAMOXITI-VXGBXAGGSA-N 0 2 362.390 0.233 20 5 FCBDLN O=C(N[C@@H]1[C@H]2CN(C(=O)c3cccc4[nH]cnc43)C[C@H]21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000976481138 1248225643 /nfs/dbraw/zinc/22/56/43/1248225643.db2.gz GUUPWSKJSNCWMO-BLUODKFWSA-N 0 2 355.354 0.415 20 5 FCBDLN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[NH+](CC(=O)[O-])CC2)cc1F ZINC001600303829 1286475466 /nfs/dbraw/zinc/47/54/66/1286475466.db2.gz GNLKVTWUFUEZPK-UHFFFAOYSA-N 0 2 361.351 0.433 20 5 FCBDLN O=C([O-])[C@H](Cn1cc[nH+]c1)NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001601425456 1286744277 /nfs/dbraw/zinc/74/42/77/1286744277.db2.gz ATGATNCAMWMGSY-AWEZNQCLSA-N 0 2 370.325 0.860 20 5 FCBDLN Cc1ccc([N+](=O)[O-])cc1Oc1c(-c2nn[nH]n2)c(=O)n(C)c(=O)n1C ZINC001609428305 1289146839 /nfs/dbraw/zinc/14/68/39/1289146839.db2.gz UNPTVTMHZCENKK-UHFFFAOYSA-N 0 2 359.302 0.273 20 5 FCBDLN CC(=O)N1CC[NH+](CCNc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC001609603110 1289258809 /nfs/dbraw/zinc/25/88/09/1289258809.db2.gz AFMXDDAZMSKZCI-UHFFFAOYSA-N 0 2 350.375 0.798 20 5 FCBDLN O=c1[nH]nc([C@H]2CCCN(c3cccc(-c4nn[nH]n4)c3[N+](=O)[O-])C2)[nH]1 ZINC001609605172 1289259784 /nfs/dbraw/zinc/25/97/84/1289259784.db2.gz MEZYSDMWRSCEHO-QMMMGPOBSA-N 0 2 357.334 0.983 20 5 FCBDLN C[N@H+](CCNS(C)(=O)=O)Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001610118867 1289381983 /nfs/dbraw/zinc/38/19/83/1289381983.db2.gz KAUYIUWDWGRXPK-UHFFFAOYSA-N 0 2 361.376 0.039 20 5 FCBDLN C[N@@H+](CCNS(C)(=O)=O)Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001610118867 1289381989 /nfs/dbraw/zinc/38/19/89/1289381989.db2.gz KAUYIUWDWGRXPK-UHFFFAOYSA-N 0 2 361.376 0.039 20 5 FCBDLN CSc1nc(O[C@@H]2CO[C@H]3[C@@H]2OC[C@@H]3OC(C)=O)c([N+](=O)[O-])c(=O)[nH]1 ZINC001227627761 857168801 /nfs/dbraw/zinc/16/88/01/857168801.db2.gz IYYKRVVYTRUFAO-MVHNUAHISA-N 0 2 373.343 0.289 20 5 FCBDLN O=C([O-])CC[NH+]1CCN(S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC001330674495 872758124 /nfs/dbraw/zinc/75/81/24/872758124.db2.gz IJHFMADYKGCSNE-UHFFFAOYSA-N 0 2 371.415 0.559 20 5 FCBDLN Cc1nn(C[C@H](O)c2ccc([N+](=O)[O-])cc2)c(=O)c(-c2nn[nH]n2)c1C ZINC000826334452 947969674 /nfs/dbraw/zinc/96/96/74/947969674.db2.gz VQKKINYNUJJRQM-LBPRGKRZSA-N 0 2 357.330 0.682 20 5 FCBDLN O=C([O-])c1ccnc(Nc2cnn(CC[NH+]3CCOCC3)c2)c1[N+](=O)[O-] ZINC000738695570 978592961 /nfs/dbraw/zinc/59/29/61/978592961.db2.gz OFZRJMJPOBDSQW-UHFFFAOYSA-N 0 2 362.346 0.960 20 5 FCBDLN COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC(O)(C(=O)[O-])CC1 ZINC001599461774 998285372 /nfs/dbraw/zinc/28/53/72/998285372.db2.gz FLYIVAXUKVHGPT-UHFFFAOYSA-N 0 2 353.331 0.453 20 5 FCBDLN CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)c2cc(O)ccc2[N+](=O)[O-])C1=O ZINC000367527812 216134085 /nfs/dbraw/zinc/13/40/85/216134085.db2.gz SFGIUWOXVTZWHW-FVMDXXJSSA-N 0 2 362.342 0.751 20 5 FCBDLN CCOC(=O)Cn1cnc(NS(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])n1 ZINC000424225553 247179780 /nfs/dbraw/zinc/17/97/80/247179780.db2.gz VOWVBPFVMNEMRF-UHFFFAOYSA-N 0 2 369.359 0.859 20 5 FCBDLN CN(C)C(=O)Cn1cnc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000437330558 248063443 /nfs/dbraw/zinc/06/34/43/248063443.db2.gz DTGQGJNISDSNMN-UHFFFAOYSA-N 0 2 354.348 0.075 20 5 FCBDLN O=c1[nH]nc(CNc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCCC2)[nH]1 ZINC000442756681 248295556 /nfs/dbraw/zinc/29/55/56/248295556.db2.gz VJSMXDFZORCBDB-UHFFFAOYSA-N 0 2 368.375 0.815 20 5 FCBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000271287601 211373077 /nfs/dbraw/zinc/37/30/77/211373077.db2.gz PMNOBRVJMGQUDD-GFCCVEGCSA-N 0 2 369.399 0.245 20 5 FCBDLN Cn1cc(C[C@H](O)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)cn1 ZINC000471297274 250096557 /nfs/dbraw/zinc/09/65/57/250096557.db2.gz WIXHCRBHYKHMLJ-LBPRGKRZSA-N 0 2 357.330 0.656 20 5 FCBDLN Cc1ccc(S(=O)(=O)Nc2ncn(CC(=O)N(C)C)n2)cc1[N+](=O)[O-] ZINC000266354654 210326750 /nfs/dbraw/zinc/32/67/50/210326750.db2.gz QLHWSPCCMMBZEC-UHFFFAOYSA-N 0 2 368.375 0.384 20 5 FCBDLN CNC(=O)Cn1cnc(NS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])n1 ZINC000266347756 210324989 /nfs/dbraw/zinc/32/49/89/210324989.db2.gz OPBIMVZDNIZKJC-UHFFFAOYSA-N 0 2 354.348 0.042 20 5 FCBDLN O=C(Nc1ccc(N2CCNC(=O)C2)nc1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000031718455 487763695 /nfs/dbraw/zinc/76/36/95/487763695.db2.gz GIEIZTOVBVTWRK-UHFFFAOYSA-N 0 2 357.326 0.884 20 5 FCBDLN Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2cnn(CC(N)=O)c2)cc1C ZINC000060443197 488290388 /nfs/dbraw/zinc/29/03/88/488290388.db2.gz HSSAHMLZPXOSQT-UHFFFAOYSA-N 0 2 353.360 0.694 20 5 FCBDLN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cnn(CC(N)=O)c1 ZINC000067123977 488344171 /nfs/dbraw/zinc/34/41/71/488344171.db2.gz HDNVZXOPGFHMMZ-UHFFFAOYSA-N 0 2 353.360 0.640 20 5 FCBDLN O=C(NCCc1cccc([N+](=O)[O-])c1)c1c[nH]c2nc(=O)[nH]c(=O)c-2c1 ZINC000089305158 488457238 /nfs/dbraw/zinc/45/72/38/488457238.db2.gz PRPYFKMIHOCKDG-UHFFFAOYSA-N 0 2 355.310 0.904 20 5 FCBDLN COC(=O)[C@H]1C[C@@H](C(=O)OC)CCN1C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000272925497 488617559 /nfs/dbraw/zinc/61/75/59/488617559.db2.gz FPSWCQKERRXZRQ-JOYOIKCWSA-N 0 2 366.326 0.867 20 5 FCBDLN CC(C)(C)OC(=O)NCC(=O)NCC(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000275123634 488764021 /nfs/dbraw/zinc/76/40/21/488764021.db2.gz NJWKHEGWBSNYPL-UHFFFAOYSA-N 0 2 368.346 0.880 20 5 FCBDLN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCC[C@H](c2nc(=O)[nH][nH]2)C1 ZINC000282946372 489201360 /nfs/dbraw/zinc/20/13/60/489201360.db2.gz PZXVYTFAHTWBIA-QMMMGPOBSA-N 0 2 357.330 0.902 20 5 FCBDLN O=C([O-])[C@H]1CSCC[N@@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000570986372 491278572 /nfs/dbraw/zinc/27/85/72/491278572.db2.gz AWGGOIKPYOMBRW-GFCCVEGCSA-N 0 2 360.413 0.871 20 5 FCBDLN O=C([O-])[C@H]1CSCC[N@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000570986372 491278574 /nfs/dbraw/zinc/27/85/74/491278574.db2.gz AWGGOIKPYOMBRW-GFCCVEGCSA-N 0 2 360.413 0.871 20 5 FCBDLN CS(=O)(=O)Nc1nnc(NC(=O)Cc2cccc([N+](=O)[O-])c2)s1 ZINC000460962076 489890437 /nfs/dbraw/zinc/89/04/37/489890437.db2.gz IQNLGKLCGXPCEH-UHFFFAOYSA-N 0 2 357.373 0.999 20 5 FCBDLN CN1C(=O)c2ccc(S(=O)(=O)Nc3ccncc3[N+](=O)[O-])cc2C1=O ZINC000461113545 489896294 /nfs/dbraw/zinc/89/62/94/489896294.db2.gz PGAHDXNMHBTAMS-UHFFFAOYSA-N 0 2 362.323 0.438 20 5 FCBDLN O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)c1cccc([N+](=O)[O-])c1[O-] ZINC000436784299 490012904 /nfs/dbraw/zinc/01/29/04/490012904.db2.gz PIGYBOOAYYHWGV-UHFFFAOYSA-N 0 2 361.358 1.081 20 5 FCBDLN CN1C(=O)N[C@@]2(CCC[C@H]2CNC(=O)c2cc([N+](=O)[O-])ccc2O)C1=O ZINC000378550455 490088156 /nfs/dbraw/zinc/08/81/56/490088156.db2.gz OFOGQGCTNOPMSJ-XXFAHNHDSA-N 0 2 362.342 0.751 20 5 FCBDLN Cc1cc(=O)n2nc(NS(=O)(=O)Cc3ccccc3[N+](=O)[O-])[nH]c2n1 ZINC000546794290 490245303 /nfs/dbraw/zinc/24/53/03/490245303.db2.gz HDHXKRGXAAYPSV-UHFFFAOYSA-N 0 2 364.343 0.576 20 5 FCBDLN NS(=O)(=O)c1ccc(CCNC(=O)c2cccc(O)c2[N+](=O)[O-])cc1 ZINC000507892024 490275188 /nfs/dbraw/zinc/27/51/88/490275188.db2.gz JDOHKOHWVDZJMC-UHFFFAOYSA-N 0 2 365.367 0.920 20 5 FCBDLN O=C([O-])[C@H](Cc1c[nH+]c[nH]1)NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000548530825 490496511 /nfs/dbraw/zinc/49/65/11/490496511.db2.gz NYJRZPJUBUMCEE-LBPRGKRZSA-N 0 2 354.344 0.433 20 5 FCBDLN O=C([O-])[C@H](Cc1c[nH]c[nH+]1)NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000548530825 490496514 /nfs/dbraw/zinc/49/65/14/490496514.db2.gz NYJRZPJUBUMCEE-LBPRGKRZSA-N 0 2 354.344 0.433 20 5 FCBDLN COc1cc(S(=O)(=O)Nc2ccc(C(N)=O)nc2)ccc1[N+](=O)[O-] ZINC000540038798 490805944 /nfs/dbraw/zinc/80/59/44/490805944.db2.gz QHLOACJYXDESSB-UHFFFAOYSA-N 0 2 352.328 0.898 20 5 FCBDLN NS(=O)(=O)c1cccc(CNC(=O)c2cccc(O)c2[N+](=O)[O-])c1 ZINC000540409524 490820881 /nfs/dbraw/zinc/82/08/81/490820881.db2.gz QAQKIYXDWJVGMR-UHFFFAOYSA-N 0 2 351.340 0.878 20 5 FCBDLN COc1ccc(S(=O)(=O)Nc2ccn(CC(N)=O)n2)cc1[N+](=O)[O-] ZINC000518092449 490930165 /nfs/dbraw/zinc/93/01/65/490930165.db2.gz MMSFHAIMQZNCLB-UHFFFAOYSA-N 0 2 355.332 0.086 20 5 FCBDLN NS(=O)(=O)c1ccccc1CNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000566935169 491476415 /nfs/dbraw/zinc/47/64/15/491476415.db2.gz IHQOUIMKOXEPKI-UHFFFAOYSA-N 0 2 351.340 0.878 20 5 FCBDLN O=C([O-])c1ccnc(NCC[NH+]2CCN(c3ncccn3)CC2)c1[N+](=O)[O-] ZINC000567170366 491489912 /nfs/dbraw/zinc/48/99/12/491489912.db2.gz ZCBNCEOGIVMNKM-UHFFFAOYSA-N 0 2 373.373 0.712 20 5 FCBDLN NS(=O)(=O)NC[C@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000597736650 492062673 /nfs/dbraw/zinc/06/26/73/492062673.db2.gz MOCMORHFJUAYLW-SNVBAGLBSA-N 0 2 358.376 0.088 20 5 FCBDLN Cc1ccc(S(=O)(=O)Nc2ccn(CCC(N)=O)n2)cc1[N+](=O)[O-] ZINC000609795856 492222471 /nfs/dbraw/zinc/22/24/71/492222471.db2.gz DIPOLPFAHJYIEQ-UHFFFAOYSA-N 0 2 353.360 0.776 20 5 FCBDLN Cc1nc(NC(=O)c2ccc([N+](=O)[O-])cc2O)c(C(=O)NCCO)n1C ZINC000618919368 492243022 /nfs/dbraw/zinc/24/30/22/492243022.db2.gz AKSSVDMBJOSWPD-UHFFFAOYSA-N 0 2 363.330 0.317 20 5 FCBDLN O=c1[nH]nc([C@@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cn3)C2)[nH]1 ZINC000593595920 546981641 /nfs/dbraw/zinc/98/16/41/546981641.db2.gz LCDIGOJGKWRODY-MRVPVSSYSA-N 0 2 354.348 0.382 20 5 FCBDLN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000552222020 547324448 /nfs/dbraw/zinc/32/44/48/547324448.db2.gz GDAIBIICOOYENZ-BDAKNGLRSA-N 0 2 353.331 0.487 20 5 FCBDLN C[C@H](CC(=O)[O-])[NH+]1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000827385643 601258030 /nfs/dbraw/zinc/25/80/30/601258030.db2.gz MHPOYASOZYUVBX-LLVKDONJSA-N 0 2 357.388 0.764 20 5 FCBDLN COC(=O)c1cc(-c2nn[nH]n2)c(=O)n(Cc2ccc([N+](=O)[O-])cc2F)c1 ZINC000821666848 606170910 /nfs/dbraw/zinc/17/09/10/606170910.db2.gz IXGOUSOGKAYJME-UHFFFAOYSA-N 0 2 374.288 0.911 20 5 FCBDLN N=C1NC(=O)[C@@H](CC(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)S1 ZINC000742543561 668037336 /nfs/dbraw/zinc/03/73/36/668037336.db2.gz IDFJJCFCIHVIRX-GFCCVEGCSA-N 0 2 363.399 0.800 20 5 FCBDLN NC(=O)c1ccc(SCC(=O)OCc2n[nH]c(=O)[nH]2)c([N+](=O)[O-])c1 ZINC000774901881 668181871 /nfs/dbraw/zinc/18/18/71/668181871.db2.gz NCHHAZKSVCRBJT-UHFFFAOYSA-N 0 2 353.316 0.353 20 5 FCBDLN COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)OCc1n[nH]c(=O)[nH]1 ZINC000774941276 668185598 /nfs/dbraw/zinc/18/55/98/668185598.db2.gz BBRKXBLBTPAZOH-UHFFFAOYSA-N 0 2 352.259 0.362 20 5 FCBDLN O=C([N-]S(=O)(=O)c1cc[nH]n1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000796881042 669134400 /nfs/dbraw/zinc/13/44/00/669134400.db2.gz BKRRJMAOFYWWPS-UHFFFAOYSA-N 0 2 362.327 0.622 20 5 FCBDLN COCCOc1cc([N+](=O)[O-])c(C(=O)OCc2n[nH]c(=O)[nH]2)cc1OC ZINC000774909231 1206484015 /nfs/dbraw/zinc/48/40/15/1206484015.db2.gz LKLKJGQUDLYKOF-UHFFFAOYSA-N 0 2 368.302 0.809 20 5 FCBDLN O=C(NCCCc1n[nH]c(=O)[nH]1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000467466420 1211401952 /nfs/dbraw/zinc/40/19/52/1211401952.db2.gz RDLVAMGNHIZTHN-UHFFFAOYSA-N 0 2 357.330 0.967 20 5 FCBDLN O=C(c1cccc2nn[nH]c21)N1[C@@H]2CC[C@H]1CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C2 ZINC000969081621 1212263618 /nfs/dbraw/zinc/26/36/18/1212263618.db2.gz ORFCDQZABFIGNF-IQOUGMIPSA-N 0 2 370.369 0.439 20 5 FCBDLN Cc1ncc(C(=O)N2CCC(N(C)C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c(C)n1 ZINC000953926920 1213024091 /nfs/dbraw/zinc/02/40/91/1213024091.db2.gz IBKFGGCRZLPQPI-UKRRQHHQSA-N 0 2 361.402 0.822 20 5 FCBDLN CC(C)c1cc(C(=O)N2C[C@H]3CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C[C@H]3C2)n[nH]1 ZINC000961551617 1214224148 /nfs/dbraw/zinc/22/41/48/1214224148.db2.gz QSIVEABBEKPSCJ-NWJSVONSSA-N 0 2 361.402 0.729 20 5 FCBDLN O=C(NCc1cccc2c1CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C2)c1ncn[nH]1 ZINC000964389719 1214963888 /nfs/dbraw/zinc/96/38/88/1214963888.db2.gz KNOBJLDAXRAZKF-ZIAGYGMSSA-N 0 2 370.369 0.285 20 5 FCBDLN O=C(NCc1cccc2c1CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C2)c1nc[nH]n1 ZINC000964389719 1214963891 /nfs/dbraw/zinc/96/38/91/1214963891.db2.gz KNOBJLDAXRAZKF-ZIAGYGMSSA-N 0 2 370.369 0.285 20 5 FCBDLN CCN(C(=O)c1cnc(CC(C)C)[nH]1)C1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000967983620 1215268477 /nfs/dbraw/zinc/26/84/77/1215268477.db2.gz IFJFYGOOBREGFX-TZMCWYRMSA-N 0 2 363.418 0.946 20 5 FCBDLN O=C(CCc1cnn[nH]1)NC[C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001060730548 1254135107 /nfs/dbraw/zinc/13/51/07/1254135107.db2.gz PPOUMQBKWZCUGA-HBJVGIJOSA-N 0 2 364.406 0.194 20 5 FCBDLN CCn1cc(-c2nn[nH]n2)c(=O)n(CC(=O)c2cccc([N+](=O)[O-])c2)c1=O ZINC001590950262 1283999063 /nfs/dbraw/zinc/99/90/63/1283999063.db2.gz ZCAKRVDEXXXLMJ-UHFFFAOYSA-N 0 2 371.313 0.001 20 5 FCBDLN Cc1c(-c2nn[nH]n2)c(=O)n(/C=C\c2ccc([N+](=O)[O-])o2)c(=O)n1C1CC1 ZINC001591795002 1284909769 /nfs/dbraw/zinc/90/97/69/1284909769.db2.gz UUHYYVZMUSNGSF-SREVYHEPSA-N 0 2 371.313 0.963 20 5 FCBDLN Cc1ccc(Cn2c(=O)c(-c3nn[nH]n3)c(C)n(C)c2=O)cc1[N+](=O)[O-] ZINC001592172156 1285168878 /nfs/dbraw/zinc/16/88/78/1285168878.db2.gz YRQVDWRMUUEMBV-UHFFFAOYSA-N 0 2 357.330 0.300 20 5 FCBDLN O=C(NCc1ccnc(-c2nn[nH]n2)c1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC001593148072 1286019730 /nfs/dbraw/zinc/01/97/30/1286019730.db2.gz OFLGQUUWSWGMFD-UHFFFAOYSA-N 0 2 365.313 0.976 20 5 FCBDLN O=C([O-])C[C@H]1C(=O)NCCN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001601942706 1286880701 /nfs/dbraw/zinc/88/07/01/1286880701.db2.gz VPWNKOFYCXVLLP-ZDUSSCGKSA-N 0 2 373.325 0.196 20 5 FCBDLN O=c1[nH]c(=O)n(C2CN(c3ccc(F)cc3[N+](=O)[O-])C2)cc1-c1nn[nH]n1 ZINC001607088712 1288656839 /nfs/dbraw/zinc/65/68/39/1288656839.db2.gz VKZWHJLWHGINIK-UHFFFAOYSA-N 0 2 374.292 0.238 20 5 FCBDLN O=C([O-])[C@H](Cc1c[nH]c[nH+]1)NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC001608357378 1288829849 /nfs/dbraw/zinc/82/98/49/1288829849.db2.gz HRLLJAJZYCYMSI-LBPRGKRZSA-N 0 2 354.269 0.951 20 5 FCBDLN O=C([O-])[C@H](Cc1c[nH+]c[nH]1)NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC001608357378 1288829857 /nfs/dbraw/zinc/82/98/57/1288829857.db2.gz HRLLJAJZYCYMSI-LBPRGKRZSA-N 0 2 354.269 0.951 20 5 FCBDLN C[C@@H](Nc1c(-c2nn[nH]n2)c(=O)n(C)c(=O)n1C)c1cccc([N+](=O)[O-])c1 ZINC001609126384 1288933452 /nfs/dbraw/zinc/93/34/52/1288933452.db2.gz QPPVXPUFQHULGX-MRVPVSSYSA-N 0 2 372.345 0.345 20 5 FCBDLN CCNC(=O)C[N@@H+]1CCCN(c2ncc(C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC001610009932 1289343096 /nfs/dbraw/zinc/34/30/96/1289343096.db2.gz TVNAOCJSUOEVKX-UHFFFAOYSA-N 0 2 351.363 0.336 20 5 FCBDLN CCNC(=O)C[N@H+]1CCCN(c2ncc(C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC001610009932 1289343107 /nfs/dbraw/zinc/34/31/07/1289343107.db2.gz TVNAOCJSUOEVKX-UHFFFAOYSA-N 0 2 351.363 0.336 20 5 FCBDLN Cc1nn(CCC(=O)N[C@@H](Cn2cc[nH+]c2)C(=O)[O-])c(C)c1[N+](=O)[O-] ZINC001610570219 1289513393 /nfs/dbraw/zinc/51/33/93/1289513393.db2.gz GDIJTOSUGAJRAC-NSHDSACASA-N 0 2 350.335 0.264 20 5 FCBDLN O=C([O-])[C@H]1C[C@@H](O)C[N@@H+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC001610661695 1289545173 /nfs/dbraw/zinc/54/51/73/1289545173.db2.gz IJJDNLMPGGJCQO-WCBMZHEXSA-N 0 2 357.750 0.954 20 5 FCBDLN O=C([O-])[C@H]1C[C@@H](O)C[N@H+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC001610661695 1289545178 /nfs/dbraw/zinc/54/51/78/1289545178.db2.gz IJJDNLMPGGJCQO-WCBMZHEXSA-N 0 2 357.750 0.954 20 5 FCBDLN O=C([O-])[C@@H]1[C@H](O)CCC[N@@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC001610732417 1289570925 /nfs/dbraw/zinc/57/09/25/1289570925.db2.gz FCKUFDNNKWCIFO-OLZOCXBDSA-N 0 2 358.372 0.278 20 5 FCBDLN O=C([O-])[C@@H]1[C@H](O)CCC[N@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC001610732417 1289570932 /nfs/dbraw/zinc/57/09/32/1289570932.db2.gz FCKUFDNNKWCIFO-OLZOCXBDSA-N 0 2 358.372 0.278 20 5 FCBDLN CON(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1NCc1n[nH]c(=O)[nH]1 ZINC000746465903 836183620 /nfs/dbraw/zinc/18/36/20/836183620.db2.gz HOVRAFPCZOUNSL-UHFFFAOYSA-N 0 2 358.336 0.213 20 5 FCBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)C1=CN2CCS(=O)(=O)N=C2C=C1 ZINC000751365592 836482255 /nfs/dbraw/zinc/48/22/55/836482255.db2.gz WTWKCUOJOSPIGF-UHFFFAOYSA-N 0 2 364.339 0.737 20 5 FCBDLN CONC(=O)CNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC1 ZINC001307221947 866649132 /nfs/dbraw/zinc/64/91/32/866649132.db2.gz GEXHQANAKWHJGB-UHFFFAOYSA-N 0 2 358.376 0.469 20 5 FCBDLN O=C([O-])c1ccnc(Nc2ccn(CC[NH+]3CCOCC3)n2)c1[N+](=O)[O-] ZINC000738695091 978592299 /nfs/dbraw/zinc/59/22/99/978592299.db2.gz DMAHKQUWDGPBIO-UHFFFAOYSA-N 0 2 362.346 0.960 20 5 FCBDLN CCOC(=O)COCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000295463842 214298788 /nfs/dbraw/zinc/29/87/88/214298788.db2.gz LKHBOVPVEXTHDV-UHFFFAOYSA-N 0 2 350.324 0.592 20 5 FCBDLN CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)c2cc(O)ccc2[N+](=O)[O-])C1=O ZINC000367527811 216133984 /nfs/dbraw/zinc/13/39/84/216133984.db2.gz SFGIUWOXVTZWHW-ABKXIKBNSA-N 0 2 362.342 0.751 20 5 FCBDLN CNC(=O)Cn1cc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)cn1 ZINC000276962137 212312376 /nfs/dbraw/zinc/31/23/76/212312376.db2.gz VSPBPDNUMMDNNF-UHFFFAOYSA-N 0 2 367.387 0.955 20 5 FCBDLN COc1ccc(C(=O)NCC(=O)NOC[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000276300335 212207689 /nfs/dbraw/zinc/20/76/89/212207689.db2.gz NVZLSPUUPKDQFM-JTQLQIEISA-N 0 2 353.331 0.418 20 5 FCBDLN O=C([O-])[C@@H](Cc1c[nH+]c[nH]1)NS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000274987963 211942682 /nfs/dbraw/zinc/94/26/82/211942682.db2.gz YQRVFYWBLLRHCW-GFCCVEGCSA-N 0 2 368.371 0.476 20 5 FCBDLN O=C([O-])[C@@H](Cc1c[nH]c[nH+]1)NS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000274987963 211942683 /nfs/dbraw/zinc/94/26/83/211942683.db2.gz YQRVFYWBLLRHCW-GFCCVEGCSA-N 0 2 368.371 0.476 20 5 FCBDLN COC(=O)c1cn([C@@H]2CCN(C(=O)c3cc(O)ccc3[N+](=O)[O-])C2)nn1 ZINC000376091052 217356054 /nfs/dbraw/zinc/35/60/54/217356054.db2.gz IDUPEMHGZKNGIB-SECBINFHSA-N 0 2 361.314 0.766 20 5 FCBDLN COCCN(C(=O)c1ccc([N+](=O)[O-])cc1O)[C@H]1CCS(=O)(=O)C1 ZINC000273261551 211688352 /nfs/dbraw/zinc/68/83/52/211688352.db2.gz TUYIIDYUCPPOCG-NSHDSACASA-N 0 2 358.372 0.576 20 5 FCBDLN O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC000436887442 248053554 /nfs/dbraw/zinc/05/35/54/248053554.db2.gz JVWNXJYIRFZGJB-CQSZACIVSA-N 0 2 365.386 0.864 20 5 FCBDLN O=C(NCCN1C(=O)NC2(CCCC2)C1=O)c1cc([N+](=O)[O-])ccc1O ZINC000436957371 248055125 /nfs/dbraw/zinc/05/51/25/248055125.db2.gz XFIPVLFMKVPDCG-UHFFFAOYSA-N 0 2 362.342 0.895 20 5 FCBDLN COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000436987721 248056678 /nfs/dbraw/zinc/05/66/78/248056678.db2.gz VNSUEGTZNNXIAM-LLVKDONJSA-N 0 2 351.359 0.915 20 5 FCBDLN COC(=O)C[N@H+]1CCC[C@H](CNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000436987721 248056680 /nfs/dbraw/zinc/05/66/80/248056680.db2.gz VNSUEGTZNNXIAM-LLVKDONJSA-N 0 2 351.359 0.915 20 5 FCBDLN CNC(=O)Cn1cnc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)n1 ZINC000266325608 210321970 /nfs/dbraw/zinc/32/19/70/210321970.db2.gz ITGAVYGOWOGIDA-UHFFFAOYSA-N 0 2 354.348 0.042 20 5 FCBDLN COC(=O)c1cn([C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])ccc3O)C2)nn1 ZINC000363895760 488897477 /nfs/dbraw/zinc/89/74/77/488897477.db2.gz KJSCRKYURVWHNS-SNVBAGLBSA-N 0 2 361.314 0.766 20 5 FCBDLN CS(=O)(=O)c1cc([N+](=O)[O-])c(N2CCC(c3nc(=O)[nH][nH]3)CC2)s1 ZINC000287863999 488914875 /nfs/dbraw/zinc/91/48/75/488914875.db2.gz SSIZLTCUQYDIPS-UHFFFAOYSA-N 0 2 373.416 0.855 20 5 FCBDLN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)[O-] ZINC000328378748 488921914 /nfs/dbraw/zinc/92/19/14/488921914.db2.gz GPGBRIBVPVSUFY-JTQLQIEISA-N 0 2 354.344 0.601 20 5 FCBDLN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)[O-] ZINC000328378748 488921917 /nfs/dbraw/zinc/92/19/17/488921917.db2.gz GPGBRIBVPVSUFY-JTQLQIEISA-N 0 2 354.344 0.601 20 5 FCBDLN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cnn(CC(=O)NC)c1 ZINC000067124023 488344183 /nfs/dbraw/zinc/34/41/83/488344183.db2.gz BSIVJVIZDSBMJH-UHFFFAOYSA-N 0 2 367.387 0.901 20 5 FCBDLN CC(C)(C)OC(=O)NCC(=O)NCC(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000271591479 488529390 /nfs/dbraw/zinc/52/93/90/488529390.db2.gz SRZONEPPMDIOCO-UHFFFAOYSA-N 0 2 368.346 0.880 20 5 FCBDLN COCCCN(C(=O)c1cc([N+](=O)[O-])ccc1O)[C@@H]1CCS(=O)(=O)C1 ZINC000272368969 488576036 /nfs/dbraw/zinc/57/60/36/488576036.db2.gz GRWXXWOPOQKQBT-GFCCVEGCSA-N 0 2 372.399 0.966 20 5 FCBDLN COC(=O)[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2O)[C@H](C(=O)OC)C1 ZINC000272925494 488617418 /nfs/dbraw/zinc/61/74/18/488617418.db2.gz FPSWCQKERRXZRQ-CABZTGNLSA-N 0 2 366.326 0.867 20 5 FCBDLN CS(=O)(=O)N1CCC(CNC(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000273277523 488641327 /nfs/dbraw/zinc/64/13/27/488641327.db2.gz WDOCZLGDZRNWBW-UHFFFAOYSA-N 0 2 357.388 0.702 20 5 FCBDLN CS(=O)(=O)N[C@@H]1CCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000274734351 488730572 /nfs/dbraw/zinc/73/05/72/488730572.db2.gz FDNLSCGWVPXCGN-JOYOIKCWSA-N 0 2 357.388 0.748 20 5 FCBDLN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H](Cc2c[nH+]c[nH]2)C(=O)[O-])cc1C ZINC000275018341 488753943 /nfs/dbraw/zinc/75/39/43/488753943.db2.gz CXFRRZZSHOUNPS-LLVKDONJSA-N 0 2 368.371 0.909 20 5 FCBDLN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H](Cc2c[nH]c[nH+]2)C(=O)[O-])cc1C ZINC000275018341 488753944 /nfs/dbraw/zinc/75/39/44/488753944.db2.gz CXFRRZZSHOUNPS-LLVKDONJSA-N 0 2 368.371 0.909 20 5 FCBDLN Cc1nn(C)cc1S(=O)(=O)Nc1cc([N+](=O)[O-])ccc1NCCO ZINC000288506713 488987526 /nfs/dbraw/zinc/98/75/26/488987526.db2.gz UUCFQBRQTQWHSA-UHFFFAOYSA-N 0 2 355.376 0.842 20 5 FCBDLN C[C@@]1(C[C@H]2CCCN2C(=O)c2cc([N+](=O)[O-])ccc2O)NC(=O)NC1=O ZINC000286136862 489360287 /nfs/dbraw/zinc/36/02/87/489360287.db2.gz HQCPZLPBOZUDGB-HWPZZCPQSA-N 0 2 362.342 0.893 20 5 FCBDLN COC(=O)CNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000416316029 489582804 /nfs/dbraw/zinc/58/28/04/489582804.db2.gz APNDEHDJAOPVAG-LLVKDONJSA-N 0 2 351.315 0.194 20 5 FCBDLN CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000376826725 489802599 /nfs/dbraw/zinc/80/25/99/489802599.db2.gz CZBHUOWWKXRRTM-LLVKDONJSA-N 0 2 357.388 0.843 20 5 FCBDLN CNS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccncc2[N+](=O)[O-])cc1 ZINC000461104712 489896162 /nfs/dbraw/zinc/89/61/62/489896162.db2.gz AQRKPFXXHXZRJX-UHFFFAOYSA-N 0 2 372.384 0.121 20 5 FCBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cc(N2CCNC(=O)C2)ccn1 ZINC000468770345 490446279 /nfs/dbraw/zinc/44/62/79/490446279.db2.gz AVTBYMOAULMRMU-UHFFFAOYSA-N 0 2 357.326 0.884 20 5 FCBDLN COC(=O)c1ccc(S(=O)(=O)Nc2ncc(OC)cn2)c([N+](=O)[O-])c1 ZINC000500469085 490520769 /nfs/dbraw/zinc/52/07/69/490520769.db2.gz JFLAYIWUZWQEBG-UHFFFAOYSA-N 0 2 368.327 0.981 20 5 FCBDLN CCc1ccc(S(=O)(=O)Nc2ncn(CC(=O)NC)n2)cc1[N+](=O)[O-] ZINC000564973167 491342207 /nfs/dbraw/zinc/34/22/07/491342207.db2.gz URSQWQDWIBMHOZ-UHFFFAOYSA-N 0 2 368.375 0.296 20 5 FCBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cnn(CC(N)=O)c1 ZINC000515633949 490833845 /nfs/dbraw/zinc/83/38/45/490833845.db2.gz LZKPKSJDYSUKPI-UHFFFAOYSA-N 0 2 355.332 0.086 20 5 FCBDLN O=C([O-])c1ccc([N+](=O)[O-])c(NCC2([NH+]3CCOCC3)CCOCC2)n1 ZINC000566291845 491433663 /nfs/dbraw/zinc/43/36/63/491433663.db2.gz MSZIYDRDGQWDLJ-UHFFFAOYSA-N 0 2 366.374 0.981 20 5 FCBDLN COC(=O)c1conc1C(C)(C)NS(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000583200137 491839980 /nfs/dbraw/zinc/83/99/80/491839980.db2.gz NCMSLPSAQNFJHA-UHFFFAOYSA-N 0 2 370.343 0.978 20 5 FCBDLN COCCNC(=O)C1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1 ZINC000604436528 492061136 /nfs/dbraw/zinc/06/11/36/492061136.db2.gz PMXHTTHNBZRRRZ-UHFFFAOYSA-N 0 2 351.359 0.915 20 5 FCBDLN Cc1ccc(S(=O)(=O)N[C@H](Cc2c[nH+]c[nH]2)C(=O)[O-])c(C)c1[N+](=O)[O-] ZINC000598585195 492105772 /nfs/dbraw/zinc/10/57/72/492105772.db2.gz XXNJKBFSZJPJHW-LLVKDONJSA-N 0 2 368.371 0.909 20 5 FCBDLN Cc1ccc(S(=O)(=O)N[C@H](Cc2c[nH]c[nH+]2)C(=O)[O-])c(C)c1[N+](=O)[O-] ZINC000598585195 492105775 /nfs/dbraw/zinc/10/57/75/492105775.db2.gz XXNJKBFSZJPJHW-LLVKDONJSA-N 0 2 368.371 0.909 20 5 FCBDLN CC(=O)NCC(=O)N1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000600412250 492268146 /nfs/dbraw/zinc/26/81/46/492268146.db2.gz ZTLMVODUJVXZNA-UHFFFAOYSA-N 0 2 364.358 0.111 20 5 FCBDLN CNC(=O)Cn1cnc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000437300456 536312981 /nfs/dbraw/zinc/31/29/81/536312981.db2.gz AXJFARSBSTVHFL-UHFFFAOYSA-N 0 2 374.766 0.387 20 5 FCBDLN COC(=O)c1cc(-c2nn[nH]n2)c(=O)n(Cc2c(F)cccc2[N+](=O)[O-])c1 ZINC000736940593 598733244 /nfs/dbraw/zinc/73/32/44/598733244.db2.gz MGMXGMTWEYWMOZ-UHFFFAOYSA-N 0 2 374.288 0.911 20 5 FCBDLN Cc1cc(S(=O)(=O)N2CC[NH+](CCC(=O)[O-])CC2)ccc1[N+](=O)[O-] ZINC000738478972 600634123 /nfs/dbraw/zinc/63/41/23/600634123.db2.gz HRNDJSVHDNBMCQ-UHFFFAOYSA-N 0 2 357.388 0.684 20 5 FCBDLN O=[N+]([O-])c1ccccc1CCS(=O)(=O)Nc1n[nH]cc1-c1nn[nH]n1 ZINC000826500287 609162249 /nfs/dbraw/zinc/16/22/49/609162249.db2.gz SAFPUNPDRAWZPO-UHFFFAOYSA-N 0 2 364.347 0.482 20 5 FCBDLN COC(=O)Cn1cc(S(=O)(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cn1 ZINC000742255877 668030660 /nfs/dbraw/zinc/03/06/60/668030660.db2.gz WUCAAYUEPZAAPP-UHFFFAOYSA-N 0 2 358.307 0.904 20 5 FCBDLN N=C1NC(=O)[C@@H](CC(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)S1 ZINC000787593884 668802385 /nfs/dbraw/zinc/80/23/85/668802385.db2.gz VBHTUBWVYSHNLR-SECBINFHSA-N 0 2 352.376 0.511 20 5 FCBDLN CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CN(C(=O)c2cc(C(F)F)[nH]n2)C1 ZINC000967949869 675166122 /nfs/dbraw/zinc/16/61/22/675166122.db2.gz KZWFPKAEFCXATK-LDYMZIIASA-N 0 2 357.317 0.685 20 5 FCBDLN Cc1c([N+](=O)[O-])ccc(F)c1NS(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000800052489 673411897 /nfs/dbraw/zinc/41/18/97/673411897.db2.gz YVRTUCIYRPZYRT-UHFFFAOYSA-N 0 2 372.334 0.241 20 5 FCBDLN Cc1ccc2[nH]nc(C(=O)N[C@H]3C[C@H](NC(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C3)c2c1 ZINC000973252184 1182139171 /nfs/dbraw/zinc/13/91/71/1182139171.db2.gz GYIYIARBZARKOS-BGOOENEXSA-N 0 2 357.370 0.914 20 5 FCBDLN O=C(C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])NC1CCCCCC1 ZINC001025777409 1182823575 /nfs/dbraw/zinc/82/35/75/1182823575.db2.gz LXSRRZVSCZNVDY-GAGVYUBLSA-N 0 2 364.446 0.537 20 5 FCBDLN O=C(NC1CN(C(=O)c2cc(-c3ccccc3)[nH]n2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000991289994 1195856774 /nfs/dbraw/zinc/85/67/74/1195856774.db2.gz KWCPBDPSNKJMDJ-IUODEOHRSA-N 0 2 355.354 0.683 20 5 FCBDLN O=C(c1cc(C(F)F)[nH]n1)N1CCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 ZINC001019015178 1214180157 /nfs/dbraw/zinc/18/01/57/1214180157.db2.gz LRLTZGAJQNETPP-LDYMZIIASA-N 0 2 369.328 0.687 20 5 FCBDLN O=C(NCc1cccc2c1CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C2)c1cnn[nH]1 ZINC000964387620 1214963361 /nfs/dbraw/zinc/96/33/61/1214963361.db2.gz MLFPBTLBMBILLG-UKRRQHHQSA-N 0 2 370.369 0.285 20 5 FCBDLN Cc1nn[nH]c1C(=O)N1CC[C@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@H]2CC1 ZINC000967366486 1215234098 /nfs/dbraw/zinc/23/40/98/1215234098.db2.gz AXAWBTLMFLYEMM-YVECIDJPSA-N 0 2 362.390 0.089 20 5 FCBDLN COc1cc([N+](=O)[O-])ccc1COC(=O)Cn1[nH]cc2c(=O)ncnc1-2 ZINC000797475671 1221273112 /nfs/dbraw/zinc/27/31/12/1221273112.db2.gz WVNNCBZOKVSAMS-UHFFFAOYSA-N 0 2 359.298 0.731 20 5 FCBDLN O=C(NCC1CN(C(=O)c2cc(-c3ccccc3)[nH]n2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001001805763 1252351659 /nfs/dbraw/zinc/35/16/59/1252351659.db2.gz RPKUYCGCGAHTMO-CZUORRHYSA-N 0 2 369.381 0.930 20 5 FCBDLN Cc1nc2c(cccc2C(=O)N2CC(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)[nH]1 ZINC001001809436 1252354951 /nfs/dbraw/zinc/35/49/51/1252354951.db2.gz DOTAJTHLTBPSTH-TZMCWYRMSA-N 0 2 357.370 0.725 20 5 FCBDLN O=C(NCC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCC1)c1n[nH]c2ccccc21 ZINC001064495407 1254424631 /nfs/dbraw/zinc/42/46/31/1254424631.db2.gz JYDLOKVCKIWIKO-DGCLKSJQSA-N 0 2 357.370 0.997 20 5 FCBDLN O=C([O-])c1ccc(S(=O)(=O)N2CC[NH2+]C[C@H]2C(F)F)cc1[N+](=O)[O-] ZINC001602394578 1286993674 /nfs/dbraw/zinc/99/36/74/1286993674.db2.gz CZRBRBYJXJBPQZ-JTQLQIEISA-N 0 2 365.314 0.521 20 5 FCBDLN O=C([O-])c1cccc(OS(=O)(=O)CCC[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC001602453188 1287004232 /nfs/dbraw/zinc/00/42/32/1287004232.db2.gz ZDIDNNWGAZRANG-UHFFFAOYSA-N 0 2 374.371 0.724 20 5 FCBDLN O=C([O-])[C@@H]1[C@H](O)CCCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC001610733881 1289570655 /nfs/dbraw/zinc/57/06/55/1289570655.db2.gz XFKMETBHDGCJCH-KGLIPLIRSA-N 0 2 360.326 0.831 20 5 FCBDLN O=C([O-])[C@H]1[C@H](O)CCC[N@@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC001610732415 1289571139 /nfs/dbraw/zinc/57/11/39/1289571139.db2.gz FCKUFDNNKWCIFO-CHWSQXEVSA-N 0 2 358.372 0.278 20 5 FCBDLN O=C([O-])[C@H]1[C@H](O)CCC[N@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC001610732415 1289571147 /nfs/dbraw/zinc/57/11/47/1289571147.db2.gz FCKUFDNNKWCIFO-CHWSQXEVSA-N 0 2 358.372 0.278 20 5 FCBDLN CN(C)C=Cc1cc(Nc2c(O)[nH]c(=O)[nH]c2=S)ncc1[N+](=O)[O-] ZINC001160854609 850206223 /nfs/dbraw/zinc/20/62/23/850206223.db2.gz XHXYRCIQPGYZQR-HMDXOVGESA-N 0 2 350.360 0.469 20 5 FCBDLN O=C([O-])c1cc(S(=O)(=O)NCC[N@@H+]2CCCOCC2)ccc1[N+](=O)[O-] ZINC001346139114 871664329 /nfs/dbraw/zinc/66/43/29/871664329.db2.gz MVRLTXBKONQDCJ-UHFFFAOYSA-N 0 2 373.387 0.294 20 5 FCBDLN O=C([O-])c1cc(S(=O)(=O)NCC[N@H+]2CCCOCC2)ccc1[N+](=O)[O-] ZINC001346139114 871664337 /nfs/dbraw/zinc/66/43/37/871664337.db2.gz MVRLTXBKONQDCJ-UHFFFAOYSA-N 0 2 373.387 0.294 20 5 FCBDLN O=C([O-])C(=O)N1CC[NH+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1 ZINC000844241982 955654468 /nfs/dbraw/zinc/65/44/68/955654468.db2.gz MIVFOEOYUGCYFD-UHFFFAOYSA-N 0 2 368.321 0.291 20 5 FCBDLN C[C@H](Cn1cc[nH+]c1)NS(=O)(=O)c1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001592929996 979964084 /nfs/dbraw/zinc/96/40/84/979964084.db2.gz GURKKZNLWRNSDS-SECBINFHSA-N 0 2 354.344 0.857 20 5 FCBDLN COC(=O)[C@@H](CC(=O)[O-])OC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC001598890771 996988560 /nfs/dbraw/zinc/98/85/60/996988560.db2.gz NUNIIJKJBUCWFR-GFCCVEGCSA-N 0 2 363.282 0.954 20 5 FCBDLN COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@H](O)C[C@H](C(=O)[O-])C1 ZINC001599462300 998295155 /nfs/dbraw/zinc/29/51/55/998295155.db2.gz XMQXIQHSAAWQGQ-GXSJLCMTSA-N 0 2 353.331 0.309 20 5 FCBDLN COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@H](O)C[C@H](C(=O)[O-])C1 ZINC001599462300 998295169 /nfs/dbraw/zinc/29/51/69/998295169.db2.gz XMQXIQHSAAWQGQ-GXSJLCMTSA-N 0 2 353.331 0.309 20 5 FCBDLN O=[N+]([O-])c1cc(S(=O)(=O)N[C@@H]2COC[C@H]2O)c(Cl)cc1Cl ZINC000295435820 214296698 /nfs/dbraw/zinc/29/66/98/214296698.db2.gz WFBVCNXUEVDNTR-VXNVDRBHSA-N 0 2 357.171 0.940 20 5 FCBDLN CC[C@]1(C)NC(=O)N(NC(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)C1=O ZINC000298218862 214528888 /nfs/dbraw/zinc/52/88/88/214528888.db2.gz PSXKNTDYVALYJO-HNNXBMFYSA-N 0 2 364.314 0.747 20 5 FCBDLN C[C@]1(CCc2ccccc2)NC(=O)N(NC(=O)c2cc([N+](=O)[O-])n[nH]2)C1=O ZINC000287101708 213585831 /nfs/dbraw/zinc/58/58/31/213585831.db2.gz LSHWSEXJPNRVNA-MRXNPFEDSA-N 0 2 372.341 0.906 20 5 FCBDLN O=C(CN1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1)N1CCCC1 ZINC000332329724 215131567 /nfs/dbraw/zinc/13/15/67/215131567.db2.gz YJLQECUFOKRTAY-UHFFFAOYSA-N 0 2 362.386 0.681 20 5 FCBDLN COCCNC(=O)Cn1cc(NC(=O)c2ccc([N+](=O)[O-])cc2O)cn1 ZINC000274682637 211889464 /nfs/dbraw/zinc/88/94/64/211889464.db2.gz JYGQBOUXMPGXKL-UHFFFAOYSA-N 0 2 363.330 0.512 20 5 FCBDLN CCOC(=O)Cn1cnc(NS(=O)(=O)c2ccc([N+](=O)[O-])s2)n1 ZINC000424222695 247180642 /nfs/dbraw/zinc/18/06/42/247180642.db2.gz NLXMYCMEQWWDEH-UHFFFAOYSA-N 0 2 361.361 0.612 20 5 FCBDLN O=C(c1ccc(=O)[nH]c1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000436871209 248053236 /nfs/dbraw/zinc/05/32/36/248053236.db2.gz JEILPPHCVJKTCK-UHFFFAOYSA-N 0 2 372.337 0.999 20 5 FCBDLN O=C(Nc1ccc(N2CCNC(=O)C2)nc1)c1ccc([N+](=O)[O-])cc1O ZINC000436860258 248053749 /nfs/dbraw/zinc/05/37/49/248053749.db2.gz FWNFUUSJLFQGHM-UHFFFAOYSA-N 0 2 357.326 0.884 20 5 FCBDLN CNC(=O)Cn1cnc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)n1 ZINC000437300752 248062530 /nfs/dbraw/zinc/06/25/30/248062530.db2.gz BLFMVDHNINUJRP-UHFFFAOYSA-N 0 2 354.348 0.042 20 5 FCBDLN NC(=O)NC(=O)C1CCC(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1 ZINC000469919591 250013972 /nfs/dbraw/zinc/01/39/72/250013972.db2.gz QYJFFTWIFJVJAL-UHFFFAOYSA-N 0 2 350.331 0.784 20 5 FCBDLN Cn1cc(C[C@@H](O)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)cn1 ZINC000471297263 250096975 /nfs/dbraw/zinc/09/69/75/250096975.db2.gz WIXHCRBHYKHMLJ-GFCCVEGCSA-N 0 2 357.330 0.656 20 5 FCBDLN Cn1nc([N+](=O)[O-])cc1C(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000481919048 250371914 /nfs/dbraw/zinc/37/19/14/250371914.db2.gz CZWOGNDTPQYLBO-UHFFFAOYSA-N 0 2 357.330 0.955 20 5 FCBDLN O=C([O-])[C@@H](Cc1c[nH+]c[nH]1)NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000323880418 488904682 /nfs/dbraw/zinc/90/46/82/488904682.db2.gz UKLXRSKQFGZJJV-SECBINFHSA-N 0 2 374.762 0.946 20 5 FCBDLN O=C([O-])[C@@H](Cc1c[nH]c[nH+]1)NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000323880418 488904683 /nfs/dbraw/zinc/90/46/83/488904683.db2.gz UKLXRSKQFGZJJV-SECBINFHSA-N 0 2 374.762 0.946 20 5 FCBDLN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)[O-] ZINC000326394459 488914485 /nfs/dbraw/zinc/91/44/85/488914485.db2.gz GPGBRIBVPVSUFY-SNVBAGLBSA-N 0 2 354.344 0.601 20 5 FCBDLN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)[O-] ZINC000326394459 488914489 /nfs/dbraw/zinc/91/44/89/488914489.db2.gz GPGBRIBVPVSUFY-SNVBAGLBSA-N 0 2 354.344 0.601 20 5 FCBDLN O=C([O-])[C@H](Cc1c[nH+]c[nH]1)NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000326566312 488915497 /nfs/dbraw/zinc/91/54/97/488915497.db2.gz ULGKTIITVQYFOO-VIFPVBQESA-N 0 2 358.307 0.431 20 5 FCBDLN O=C([O-])[C@H](Cc1c[nH]c[nH+]1)NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000326566312 488915501 /nfs/dbraw/zinc/91/55/01/488915501.db2.gz ULGKTIITVQYFOO-VIFPVBQESA-N 0 2 358.307 0.431 20 5 FCBDLN NS(=O)(=O)c1cccc(CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)c1 ZINC000030715511 487748386 /nfs/dbraw/zinc/74/83/86/487748386.db2.gz MRXODCCDKZMQBZ-UHFFFAOYSA-N 0 2 351.340 0.878 20 5 FCBDLN Cc1[nH]ncc1CNC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000051381108 488130860 /nfs/dbraw/zinc/13/08/60/488130860.db2.gz MAINPZDHPVOITE-UHFFFAOYSA-N 0 2 367.387 0.611 20 5 FCBDLN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cnn(CC(=O)N(C)C)c1 ZINC000066585187 488332338 /nfs/dbraw/zinc/33/23/38/488332338.db2.gz BQVNZGRRBPHHDP-UHFFFAOYSA-N 0 2 367.387 0.989 20 5 FCBDLN O=C(N[C@H]1CCO[C@]2(CCS(=O)(=O)C2)C1)c1cc([N+](=O)[O-])ccc1O ZINC000272360013 488575855 /nfs/dbraw/zinc/57/58/55/488575855.db2.gz FAXLKKYQBYSETG-ZUZCIYMTSA-N 0 2 370.383 0.767 20 5 FCBDLN CCN(CC)C(=O)CN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000273194346 488636928 /nfs/dbraw/zinc/63/69/28/488636928.db2.gz HNTGAEHFPLGZJD-UHFFFAOYSA-N 0 2 364.402 0.927 20 5 FCBDLN COCCN(C(=O)c1ccc([N+](=O)[O-])cc1O)[C@@H]1CCS(=O)(=O)C1 ZINC000273261549 488640951 /nfs/dbraw/zinc/64/09/51/488640951.db2.gz TUYIIDYUCPPOCG-LLVKDONJSA-N 0 2 358.372 0.576 20 5 FCBDLN COC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000274723667 488729877 /nfs/dbraw/zinc/72/98/77/488729877.db2.gz ADIAPFPZZBWEGC-LBPRGKRZSA-N 0 2 367.358 0.734 20 5 FCBDLN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)[O-] ZINC000274874061 488739530 /nfs/dbraw/zinc/73/95/30/488739530.db2.gz BFMQUWKCFFDALM-GFCCVEGCSA-N 0 2 368.371 0.855 20 5 FCBDLN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)[O-] ZINC000274874061 488739531 /nfs/dbraw/zinc/73/95/31/488739531.db2.gz BFMQUWKCFFDALM-GFCCVEGCSA-N 0 2 368.371 0.855 20 5 FCBDLN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)[O-] ZINC000274874065 488739706 /nfs/dbraw/zinc/73/97/06/488739706.db2.gz BFMQUWKCFFDALM-LBPRGKRZSA-N 0 2 368.371 0.855 20 5 FCBDLN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)[O-] ZINC000274874065 488739707 /nfs/dbraw/zinc/73/97/07/488739707.db2.gz BFMQUWKCFFDALM-LBPRGKRZSA-N 0 2 368.371 0.855 20 5 FCBDLN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@H](Cc2c[nH+]c[nH]2)C(=O)[O-])c1C ZINC000274984321 488750647 /nfs/dbraw/zinc/75/06/47/488750647.db2.gz YCXHUIHWWJZJHQ-GFCCVEGCSA-N 0 2 368.371 0.909 20 5 FCBDLN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@H](Cc2c[nH]c[nH+]2)C(=O)[O-])c1C ZINC000274984321 488750648 /nfs/dbraw/zinc/75/06/48/488750648.db2.gz YCXHUIHWWJZJHQ-GFCCVEGCSA-N 0 2 368.371 0.909 20 5 FCBDLN C[C@]1(C[C@H]2CCCN2C(=O)c2cccc(O)c2[N+](=O)[O-])NC(=O)NC1=O ZINC000286275573 489375708 /nfs/dbraw/zinc/37/57/08/489375708.db2.gz QTMAKZLDYWKMKA-JDNHERCYSA-N 0 2 362.342 0.893 20 5 FCBDLN O=C(Cn1cnc([N+](=O)[O-])n1)NCc1nnc(COc2ccccc2)[nH]1 ZINC000474596774 489773245 /nfs/dbraw/zinc/77/32/45/489773245.db2.gz UWNVDSCFWXVYJA-UHFFFAOYSA-N 0 2 358.318 0.200 20 5 FCBDLN CS(=O)(=O)Nc1nnc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)s1 ZINC000492110296 489818637 /nfs/dbraw/zinc/81/86/37/489818637.db2.gz QDMKMUSRHKODKB-UHFFFAOYSA-N 0 2 357.373 0.999 20 5 FCBDLN COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)c2cccc([N+](=O)[O-])c2[O-])C1 ZINC000436611057 490010047 /nfs/dbraw/zinc/01/00/47/490010047.db2.gz URTSBQHKFWACGC-LLVKDONJSA-N 0 2 351.359 0.915 20 5 FCBDLN COC(=O)C[N@H+]1CCC[C@H](CNC(=O)c2cccc([N+](=O)[O-])c2[O-])C1 ZINC000436611057 490010050 /nfs/dbraw/zinc/01/00/50/490010050.db2.gz URTSBQHKFWACGC-LLVKDONJSA-N 0 2 351.359 0.915 20 5 FCBDLN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000436822613 490013813 /nfs/dbraw/zinc/01/38/13/490013813.db2.gz PVQXFNUHKUDXSR-IUCAKERBSA-N 0 2 353.331 0.487 20 5 FCBDLN O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436961578 490017597 /nfs/dbraw/zinc/01/75/97/490017597.db2.gz HTTWIKLBATZNPN-UHFFFAOYSA-N 0 2 361.358 1.081 20 5 FCBDLN O=C(NCc1n[nH]c(=O)[nH]1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000480476104 490196086 /nfs/dbraw/zinc/19/60/86/490196086.db2.gz HTKLFBHPKLELLT-ZETCQYMHSA-N 0 2 366.359 0.401 20 5 FCBDLN COc1cc(C(=O)NCCCc2n[nH]c(=O)[nH]2)c([N+](=O)[O-])cc1OC ZINC000467470269 490295490 /nfs/dbraw/zinc/29/54/90/490295490.db2.gz XZSQVWWVROGHNH-UHFFFAOYSA-N 0 2 351.319 0.798 20 5 FCBDLN C[C@H](C(=O)NC1CC1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000547789368 490355871 /nfs/dbraw/zinc/35/58/71/490355871.db2.gz SAAYBFUAFKGWSC-LLVKDONJSA-N 0 2 362.386 0.725 20 5 FCBDLN CNC(=O)Cn1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)cn1 ZINC000523727350 490489171 /nfs/dbraw/zinc/48/91/71/490489171.db2.gz PSLMCFOFYJVHBQ-UHFFFAOYSA-N 0 2 353.360 0.647 20 5 FCBDLN COc1c(F)cc(S(=O)(=O)Nc2ccn(CC(N)=O)n2)cc1[N+](=O)[O-] ZINC000488228537 490750946 /nfs/dbraw/zinc/75/09/46/490750946.db2.gz FUOUGZCCACUQFN-UHFFFAOYSA-N 0 2 373.322 0.225 20 5 FCBDLN Cc1cc(N(C)C[C@@H](O)C[NH+]2CCOCC2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000573092866 491411989 /nfs/dbraw/zinc/41/19/89/491411989.db2.gz FFCAWWRRXQJAIB-GFCCVEGCSA-N 0 2 353.375 0.731 20 5 FCBDLN Cc1cc(S(=O)(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)[O-])c(C)cc1[N+](=O)[O-] ZINC000573457913 491434571 /nfs/dbraw/zinc/43/45/71/491434571.db2.gz DSEHPGPBBKZSTD-NSHDSACASA-N 0 2 368.371 0.909 20 5 FCBDLN Cc1cc(S(=O)(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)[O-])c(C)cc1[N+](=O)[O-] ZINC000573457913 491434573 /nfs/dbraw/zinc/43/45/73/491434573.db2.gz DSEHPGPBBKZSTD-NSHDSACASA-N 0 2 368.371 0.909 20 5 FCBDLN CNC(=O)Cn1cc(NS(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2F)cn1 ZINC000590598206 491780863 /nfs/dbraw/zinc/78/08/63/491780863.db2.gz NMMIUDWUBVDHMR-UHFFFAOYSA-N 0 2 371.350 0.786 20 5 FCBDLN NS(=O)(=O)NC[C@@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000597736649 492062657 /nfs/dbraw/zinc/06/26/57/492062657.db2.gz MOCMORHFJUAYLW-JTQLQIEISA-N 0 2 358.376 0.088 20 5 FCBDLN Cc1nc([C@@](C)(NS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C2CC2)no1 ZINC000599317490 492159453 /nfs/dbraw/zinc/15/94/53/492159453.db2.gz KGHWRTAPEWPTOQ-LBPRGKRZSA-N 0 2 356.364 0.623 20 5 FCBDLN CC(C)(C)n1nnc(CNS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])n1 ZINC000594476915 546999809 /nfs/dbraw/zinc/99/98/09/546999809.db2.gz YVZUDJCDKGSNPW-UHFFFAOYSA-N 0 2 358.355 0.954 20 5 FCBDLN O=[N+]([O-])c1cccnc1S(=O)(=O)NCc1n[nH]c([C@@H]2CCCO2)n1 ZINC000594794487 547011788 /nfs/dbraw/zinc/01/17/88/547011788.db2.gz LKIGBKWHHKXDLD-VIFPVBQESA-N 0 2 354.348 0.438 20 5 FCBDLN COCc1nnc(CNS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)[nH]1 ZINC000594828203 547015715 /nfs/dbraw/zinc/01/57/15/547015715.db2.gz SVHYZOMXHQPHIF-UHFFFAOYSA-N 0 2 355.376 0.955 20 5 FCBDLN O=C([O-])[C@@H]1C[N@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000738549100 600318657 /nfs/dbraw/zinc/31/86/57/600318657.db2.gz PWEKOSCHYBNQFV-ZDUSSCGKSA-N 0 2 351.315 0.678 20 5 FCBDLN O=C([O-])[C@@H]1C[N@@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000738549100 600318662 /nfs/dbraw/zinc/31/86/62/600318662.db2.gz PWEKOSCHYBNQFV-ZDUSSCGKSA-N 0 2 351.315 0.678 20 5 FCBDLN C[C@@H](CC(=O)[O-])[NH+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000827386592 601258162 /nfs/dbraw/zinc/25/81/62/601258162.db2.gz VOZJZSOBHYENNB-NSHDSACASA-N 0 2 357.388 0.764 20 5 FCBDLN Cn1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)cn1 ZINC000822684546 607154342 /nfs/dbraw/zinc/15/43/42/607154342.db2.gz ASZHLBCXGXNFSO-UHFFFAOYSA-N 0 2 350.320 0.309 20 5 FCBDLN CS(=O)(=O)CC[NH+]1CCC(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)CC1 ZINC000755302652 667629564 /nfs/dbraw/zinc/62/95/64/667629564.db2.gz PVVYSFXANKMVSL-UHFFFAOYSA-N 0 2 371.415 0.539 20 5 FCBDLN O=C(NCCc1n[nH]c(=S)o1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000773098686 668072176 /nfs/dbraw/zinc/07/21/76/668072176.db2.gz WYVWMVGMDNBQJT-UHFFFAOYSA-N 0 2 361.343 0.820 20 5 FCBDLN O=C(N[C@@H]1[C@H]2CN(C(=O)c3cc(-c4ccoc4)[nH]n3)C[C@H]21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000976480831 1185957130 /nfs/dbraw/zinc/95/71/30/1185957130.db2.gz MODAVFISRQSMDM-ZNLHFFCSSA-N 0 2 371.353 0.522 20 5 FCBDLN Cc1nc2c(cccc2C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])[nH]1 ZINC000976485154 1185959066 /nfs/dbraw/zinc/95/90/66/1185959066.db2.gz WAJNTUQJEMHJLF-AMVBZWJASA-N 0 2 369.381 0.723 20 5 FCBDLN CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CN(C(=O)c2cc(-c3ccoc3)[nH]n2)C1 ZINC000954242784 1213052079 /nfs/dbraw/zinc/05/20/79/1213052079.db2.gz WOJWVFXHNSVLKD-BXUZGUMPSA-N 0 2 359.342 0.618 20 5 FCBDLN O=C(c1cn[nH]c1-c1ccccn1)N1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001011115631 1213831710 /nfs/dbraw/zinc/83/17/10/1213831710.db2.gz OGLHCWICZWMWLA-BXUZGUMPSA-N 0 2 370.369 0.421 20 5 FCBDLN CN(Cc1ccccc1CNC(=O)c1ncn[nH]1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000963873434 1214866090 /nfs/dbraw/zinc/86/60/90/1214866090.db2.gz VRYGCLZORYRTKG-CHWSQXEVSA-N 0 2 358.358 0.358 20 5 FCBDLN CN(Cc1ccccc1CNC(=O)c1nc[nH]n1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000963873434 1214866092 /nfs/dbraw/zinc/86/60/92/1214866092.db2.gz VRYGCLZORYRTKG-CHWSQXEVSA-N 0 2 358.358 0.358 20 5 FCBDLN O=C(NCc1ccc2c(c1)CN(Cc1n[nH]c(=O)[nH]1)C2)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001054264486 1218902348 /nfs/dbraw/zinc/90/23/48/1218902348.db2.gz GNXKKLPAONGBEO-CHWSQXEVSA-N 0 2 358.358 0.308 20 5 FCBDLN O=C(NCCN(Cc1ccccc1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1cnn[nH]1 ZINC001055073243 1218988942 /nfs/dbraw/zinc/98/89/42/1218988942.db2.gz OQKVEZIGECUJOG-TZMCWYRMSA-N 0 2 358.358 0.229 20 5 FCBDLN O=C(Cn1[nH]cc2c(=O)ncnc1-2)OCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000751663857 1220040942 /nfs/dbraw/zinc/04/09/42/1220040942.db2.gz YAHJINKQVAMQFT-UHFFFAOYSA-N 0 2 370.281 0.864 20 5 FCBDLN O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21 ZINC000841022917 1222805624 /nfs/dbraw/zinc/80/56/24/1222805624.db2.gz SCZOGDSAMARNJQ-UXIGCNINSA-N 0 2 361.354 0.305 20 5 FCBDLN Cc1ccc2n[nH]c(C(=O)N3CC(CNC(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C3)c2c1 ZINC001001808288 1252352664 /nfs/dbraw/zinc/35/26/64/1252352664.db2.gz SQWMXWMXIGVHJH-TZMCWYRMSA-N 0 2 357.370 0.725 20 5 FCBDLN Cc1ccc2[nH]nc(C(=O)NCC3CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C3)c2c1 ZINC001003146182 1252791819 /nfs/dbraw/zinc/79/18/19/1252791819.db2.gz HCFQLXULLWEEEC-TZMCWYRMSA-N 0 2 357.370 0.725 20 5 FCBDLN CCn1cc(-c2nn[nH]n2)c(=O)n(Cc2ccc(F)cc2[N+](=O)[O-])c1=O ZINC001590949389 1283997398 /nfs/dbraw/zinc/99/73/98/1283997398.db2.gz GABVUFCNSTXOGM-UHFFFAOYSA-N 0 2 361.293 0.306 20 5 FCBDLN O=C([O-])[C@@]1([NH+]2CCN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)CC2)CCOC1 ZINC001602622756 1287037798 /nfs/dbraw/zinc/03/77/98/1287037798.db2.gz LEFGYDKDAWCPSS-MRXNPFEDSA-N 0 2 365.342 0.302 20 5 FCBDLN Cc1ccn(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])c(=O)c1-c1nn[nH]n1 ZINC001605952810 1288111452 /nfs/dbraw/zinc/11/14/52/1288111452.db2.gz JJSWXFMKJKZWOS-UHFFFAOYSA-N 0 2 355.314 0.392 20 5 FCBDLN O=C([O-])[C@H]1C[C@@H](O)C[N@@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC001610662821 1289545931 /nfs/dbraw/zinc/54/59/31/1289545931.db2.gz YSWPESCWLWAXED-WCBMZHEXSA-N 0 2 357.750 0.954 20 5 FCBDLN O=C([O-])[C@H]1C[C@@H](O)C[N@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC001610662821 1289545939 /nfs/dbraw/zinc/54/59/39/1289545939.db2.gz YSWPESCWLWAXED-WCBMZHEXSA-N 0 2 357.750 0.954 20 5 FCBDLN O=[N+]([O-])c1c(O)cccc1O[C@H](C[n+]1ccccc1)CS(=O)(=O)[O-] ZINC001225625756 857050844 /nfs/dbraw/zinc/05/08/44/857050844.db2.gz MYRUUGMRYWYEIZ-LLVKDONJSA-O 0 2 355.348 0.923 20 5 FCBDLN Cc1ccc(C)c(S(=O)(=O)N2CC[NH+](CCC(=O)[O-])CC2)c1[N+](=O)[O-] ZINC001329615570 872136905 /nfs/dbraw/zinc/13/69/05/872136905.db2.gz GOCADHYDYAEBHQ-UHFFFAOYSA-N 0 2 371.415 0.993 20 5 FCBDLN CNS(=O)(=O)[C@@H]1CC[N@H+](Cc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)C1 ZINC001598669035 994723159 /nfs/dbraw/zinc/72/31/59/994723159.db2.gz HKQIPXXKMDHMJB-LLVKDONJSA-N 0 2 373.387 0.182 20 5 FCBDLN CNS(=O)(=O)[C@@H]1CC[N@@H+](Cc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)C1 ZINC001598669035 994723172 /nfs/dbraw/zinc/72/31/72/994723172.db2.gz HKQIPXXKMDHMJB-LLVKDONJSA-N 0 2 373.387 0.182 20 5 FCBDLN CNS(=O)(=O)[C@H]1CC[N@H+](Cc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)C1 ZINC001598669037 994723247 /nfs/dbraw/zinc/72/32/47/994723247.db2.gz HKQIPXXKMDHMJB-NSHDSACASA-N 0 2 373.387 0.182 20 5 FCBDLN CNS(=O)(=O)[C@H]1CC[N@@H+](Cc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)C1 ZINC001598669037 994723259 /nfs/dbraw/zinc/72/32/59/994723259.db2.gz HKQIPXXKMDHMJB-NSHDSACASA-N 0 2 373.387 0.182 20 5 FCBDLN COC(=O)CN(CC(=O)[O-])C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001598862019 996682474 /nfs/dbraw/zinc/68/24/74/996682474.db2.gz VEECOZOCOQUXSD-UHFFFAOYSA-N 0 2 362.298 0.480 20 5 FCBDLN CC(C)[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1O)C(=O)N1CCOCC1 ZINC000436968551 248055035 /nfs/dbraw/zinc/05/50/35/248055035.db2.gz UUTJUPVYDOHBSR-CQSZACIVSA-N 0 2 351.359 0.914 20 5 FCBDLN NS(=O)(=O)c1cccc(CNC(=O)c2cc(O)ccc2[N+](=O)[O-])c1 ZINC000485161853 250569426 /nfs/dbraw/zinc/56/94/26/250569426.db2.gz OFWVDLAOXOWUHF-UHFFFAOYSA-N 0 2 351.340 0.878 20 5 FCBDLN Cc1cc(S(=O)(=O)Nc2ccn(CC(=O)N(C)C)n2)ccc1[N+](=O)[O-] ZINC000265251548 229348724 /nfs/dbraw/zinc/34/87/24/229348724.db2.gz KMROTQZIBUYNCD-UHFFFAOYSA-N 0 2 367.387 0.989 20 5 FCBDLN Cn1cc([C@@H]2C[S@](=O)CCN2C(=O)c2ccc([N+](=O)[O-])cc2O)cn1 ZINC000278717904 488891946 /nfs/dbraw/zinc/89/19/46/488891946.db2.gz UFWIMSUAAJMNNC-ZJWNCGCPSA-N 0 2 364.383 0.980 20 5 FCBDLN CS(=O)(=O)Nc1nnc(NC(=O)Cc2ccccc2[N+](=O)[O-])s1 ZINC000047293408 488021677 /nfs/dbraw/zinc/02/16/77/488021677.db2.gz GDSXMWSUEMXKQW-UHFFFAOYSA-N 0 2 357.373 0.999 20 5 FCBDLN CN(C)S(=O)(=O)c1ccc2c(c1)N(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CCC2 ZINC000078189551 488420531 /nfs/dbraw/zinc/42/05/31/488420531.db2.gz OTSTWTQWKSDLEJ-TZMCWYRMSA-N 0 2 353.400 0.881 20 5 FCBDLN CNC(=O)Cn1cnc(NS(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])n1 ZINC000268731636 488445916 /nfs/dbraw/zinc/44/59/16/488445916.db2.gz UCXDLMDWHREOLQ-UHFFFAOYSA-N 0 2 368.375 0.350 20 5 FCBDLN O=C(NCCS(=O)(=O)NCC1CCC1)c1ccc([N+](=O)[O-])cc1O ZINC000273196161 488637534 /nfs/dbraw/zinc/63/75/34/488637534.db2.gz IWCYVBZTPPSBON-UHFFFAOYSA-N 0 2 357.388 0.750 20 5 FCBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000273268811 488640873 /nfs/dbraw/zinc/64/08/73/488640873.db2.gz OIEQKOKVZROMBM-GFCCVEGCSA-N 0 2 369.399 0.245 20 5 FCBDLN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@H](Cc2c[nH+]c[nH]2)C(=O)[O-])c1C ZINC000274883361 488740677 /nfs/dbraw/zinc/74/06/77/488740677.db2.gz DIMZWIZHUFQGHZ-LLVKDONJSA-N 0 2 368.371 0.909 20 5 FCBDLN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@H](Cc2c[nH]c[nH+]2)C(=O)[O-])c1C ZINC000274883361 488740680 /nfs/dbraw/zinc/74/06/80/488740680.db2.gz DIMZWIZHUFQGHZ-LLVKDONJSA-N 0 2 368.371 0.909 20 5 FCBDLN CNC(=O)Cn1cnc(NS(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)n1 ZINC000267311539 488776623 /nfs/dbraw/zinc/77/66/23/488776623.db2.gz NRDTWEBRQIDEFT-UHFFFAOYSA-N 0 2 368.375 0.350 20 5 FCBDLN O=C(c1c[nH]c2nc(=O)[nH]c(=O)c-2c1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000172361387 488833248 /nfs/dbraw/zinc/83/32/48/488833248.db2.gz CEGMXCFGWURPND-UHFFFAOYSA-N 0 2 353.294 0.723 20 5 FCBDLN CCS(=O)(=O)N1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2O)CC1 ZINC000299317244 489431104 /nfs/dbraw/zinc/43/11/04/489431104.db2.gz BABVFPLXGUQIIP-UHFFFAOYSA-N 0 2 357.388 0.844 20 5 FCBDLN CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)C1=O ZINC000372711230 489627464 /nfs/dbraw/zinc/62/74/64/489627464.db2.gz BZRLNPNKQCMLRR-HWPZZCPQSA-N 0 2 362.342 0.751 20 5 FCBDLN Cc1cc(C(=O)NCCn2cc([N+](=O)[O-])cn2)[nH]c2nc(=O)[nH]c(=O)c1-2 ZINC000428714242 489661811 /nfs/dbraw/zinc/66/18/11/489661811.db2.gz YWDKFOALHQVXPD-UHFFFAOYSA-N 0 2 359.302 0.279 20 5 FCBDLN CC[C@H](C)NC(=O)CN1CCN(C(=O)c2cc([N+](=O)[O-])ccc2O)CC1 ZINC000436749424 490012023 /nfs/dbraw/zinc/01/20/23/490012023.db2.gz AVELFEKOIJNUTN-LBPRGKRZSA-N 0 2 364.402 0.973 20 5 FCBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nc3ncccn3n2)c2ncccc12 ZINC000464430392 490056409 /nfs/dbraw/zinc/05/64/09/490056409.db2.gz YTBXYGRIKURXBK-UHFFFAOYSA-N 0 2 371.338 1.382 20 5 FCBDLN CCc1ccc(S(=O)(=O)N[C@H](Cc2c[nH+]c[nH]2)C(=O)[O-])cc1[N+](=O)[O-] ZINC000519816315 490088695 /nfs/dbraw/zinc/08/86/95/490088695.db2.gz FCPJNSDCHFVQEI-GFCCVEGCSA-N 0 2 368.371 0.855 20 5 FCBDLN CCc1ccc(S(=O)(=O)N[C@H](Cc2c[nH]c[nH+]2)C(=O)[O-])cc1[N+](=O)[O-] ZINC000519816315 490088701 /nfs/dbraw/zinc/08/87/01/490088701.db2.gz FCPJNSDCHFVQEI-GFCCVEGCSA-N 0 2 368.371 0.855 20 5 FCBDLN Cn1cc(S(N)(=O)=O)cc1CC(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000486803678 490672948 /nfs/dbraw/zinc/67/29/48/490672948.db2.gz RZPFNGIDEULMOZ-UHFFFAOYSA-N 0 2 354.344 0.468 20 5 FCBDLN COc1c(F)cc(S(=O)(=O)Nc2cnn(CC(N)=O)c2)cc1[N+](=O)[O-] ZINC000488264464 490752549 /nfs/dbraw/zinc/75/25/49/490752549.db2.gz MHLBZGQMXMLZCE-UHFFFAOYSA-N 0 2 373.322 0.225 20 5 FCBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccnc2ncnn21 ZINC000543447921 490933615 /nfs/dbraw/zinc/93/36/15/490933615.db2.gz HAQRRFJOJGZXPZ-UHFFFAOYSA-N 0 2 350.316 0.842 20 5 FCBDLN C[C@]1(C[C@@H]2CCCN2C(=O)c2cc(O)ccc2[N+](=O)[O-])NC(=O)NC1=O ZINC000557608913 491386612 /nfs/dbraw/zinc/38/66/12/491386612.db2.gz KFUVSGVHQOLDFB-XXFAHNHDSA-N 0 2 362.342 0.893 20 5 FCBDLN O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)N1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000573605580 491443405 /nfs/dbraw/zinc/44/34/05/491443405.db2.gz ULUHOYAFBYXRJK-UHFFFAOYSA-N 0 2 374.357 0.555 20 5 FCBDLN O=c1[nH]nc([C@H]2CCCN(S(=O)(=O)c3cccnc3[N+](=O)[O-])C2)[nH]1 ZINC000559096789 491454699 /nfs/dbraw/zinc/45/46/99/491454699.db2.gz AVDKCFNDEODTLP-QMMMGPOBSA-N 0 2 354.348 0.382 20 5 FCBDLN CN(CC1N=NC(=O)O1)C(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000590546316 491778572 /nfs/dbraw/zinc/77/85/72/491778572.db2.gz BNNYFJONHNRCFS-UHFFFAOYSA-N 0 2 369.721 0.725 20 5 FCBDLN CC[C@@H](C)c1nc([C@@H](C)NS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])n[nH]1 ZINC000599294157 492156277 /nfs/dbraw/zinc/15/62/77/492156277.db2.gz AXNZTRSNQYKAOW-HTQZYQBOSA-N 0 2 357.396 0.999 20 5 FCBDLN CCOCc1nc([C@@H](C)NS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])no1 ZINC000599309977 492158529 /nfs/dbraw/zinc/15/85/29/492158529.db2.gz NVFFHJMTWGEAHC-SSDOTTSWSA-N 0 2 360.352 0.287 20 5 FCBDLN CC(C)OCc1nc([C@@H](C)NS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])no1 ZINC000599310691 492158581 /nfs/dbraw/zinc/15/85/81/492158581.db2.gz ZXOUZCDHWKPQCM-MRVPVSSYSA-N 0 2 374.379 0.676 20 5 FCBDLN Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CC[C@@](O)(C(F)(F)F)C2)n1 ZINC000599311042 492158759 /nfs/dbraw/zinc/15/87/59/492158759.db2.gz BFXVLTLEXXKRLC-MUWHJKNJSA-N 0 2 358.298 0.453 20 5 FCBDLN COc1ccc(S(=O)(=O)Nc2ncc(C(N)=O)s2)cc1[N+](=O)[O-] ZINC000608927874 492195626 /nfs/dbraw/zinc/19/56/26/492195626.db2.gz NOTSSHYEKACPTC-UHFFFAOYSA-N 0 2 358.357 0.960 20 5 FCBDLN COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1nc2ncccn2n1 ZINC000619506962 492267796 /nfs/dbraw/zinc/26/77/96/492267796.db2.gz LVTRGRFCWKZLAM-UHFFFAOYSA-N 0 2 350.316 0.842 20 5 FCBDLN COCCNC(=O)C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2O)CC1 ZINC000611534465 492289767 /nfs/dbraw/zinc/28/97/67/492289767.db2.gz FTTHESJIGAFQBG-UHFFFAOYSA-N 0 2 351.359 0.915 20 5 FCBDLN O=C(NC1CCN(C(=O)c2cc(C(F)F)[nH]n2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000948310412 674375218 /nfs/dbraw/zinc/37/52/18/674375218.db2.gz JRVIBCHWSIGBJI-LDYMZIIASA-N 0 2 357.317 0.733 20 5 FCBDLN COC(=O)Cn1cc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2OC)cn1 ZINC000438782037 536382325 /nfs/dbraw/zinc/38/23/25/536382325.db2.gz AUQQXBJKRZQNNA-UHFFFAOYSA-N 0 2 370.343 0.774 20 5 FCBDLN COCc1nc(CNS(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])n[nH]1 ZINC000594829001 547015009 /nfs/dbraw/zinc/01/50/09/547015009.db2.gz ZZRKQPAZYWKVMU-UHFFFAOYSA-N 0 2 357.348 0.346 20 5 FCBDLN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCc1nnc(COC)[nH]1 ZINC000594827349 547015139 /nfs/dbraw/zinc/01/51/39/547015139.db2.gz HPYRCTNSDBIVDY-UHFFFAOYSA-N 0 2 355.376 0.900 20 5 FCBDLN COCc1nnc(CNS(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)[nH]1 ZINC000594826963 547015597 /nfs/dbraw/zinc/01/55/97/547015597.db2.gz GUHIQEQSZMHYLZ-UHFFFAOYSA-N 0 2 355.376 0.955 20 5 FCBDLN Cn1c(=O)c(-c2nn[nH]n2)c(Oc2cc(F)cc([N+](=O)[O-])c2)n(C)c1=O ZINC000822600399 607332113 /nfs/dbraw/zinc/33/21/13/607332113.db2.gz NEUUJYSNZAETSU-UHFFFAOYSA-N 0 2 363.265 0.104 20 5 FCBDLN O=C([O-])Cc1nc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)n[nH]1 ZINC000739910331 600534917 /nfs/dbraw/zinc/53/49/17/600534917.db2.gz NNXCGQCIHMPMNB-UHFFFAOYSA-N 0 2 357.286 0.778 20 5 FCBDLN O=C(COC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1(NC(=O)C(F)(F)F)CCCC1 ZINC000840674641 664959845 /nfs/dbraw/zinc/95/98/45/664959845.db2.gz OCOKIYANGZYRJW-HTQZYQBOSA-N 0 2 352.265 0.755 20 5 FCBDLN COC(=O)c1cc(NC(=O)CC2SC(=N)NC2=O)cc([N+](=O)[O-])c1 ZINC000742689746 668040878 /nfs/dbraw/zinc/04/08/78/668040878.db2.gz JOPAHOSCTGSYCU-VIFPVBQESA-N 0 2 352.328 0.876 20 5 FCBDLN CCOC(=O)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000773039077 668069140 /nfs/dbraw/zinc/06/91/40/668069140.db2.gz NEPKGGJZCREUPD-UHFFFAOYSA-N 0 2 351.315 0.148 20 5 FCBDLN CN(C)C(=O)c1cc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)ccn1 ZINC000768861734 668102119 /nfs/dbraw/zinc/10/21/19/668102119.db2.gz BLNVBWZOSGMTTK-UHFFFAOYSA-N 0 2 356.385 0.976 20 5 FCBDLN Cc1c[nH+]cn1CC(=O)N1CCC(CN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000988571251 1192303660 /nfs/dbraw/zinc/30/36/60/1192303660.db2.gz IUDNLTFKWPGUIC-HUUCEWRRSA-N 0 2 363.418 0.554 20 5 FCBDLN O=C(N[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)c1ccc(-c2nnc[nH]2)cc1 ZINC000974109899 1182998261 /nfs/dbraw/zinc/99/82/61/1182998261.db2.gz JTOIQJMNUJWSEK-XJFOESAGSA-N 0 2 370.369 0.514 20 5 FCBDLN O=c1ncnc2n(Cc3nc(Cc4ccc([N+](=O)[O-])cn4)no3)[nH]cc1-2 ZINC000762324818 1197981159 /nfs/dbraw/zinc/98/11/59/1197981159.db2.gz NTAUQKYYJQZORB-UHFFFAOYSA-N 0 2 354.286 0.397 20 5 FCBDLN O=C(Cn1[nH]cc2c(=O)ncnc1-2)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000787501483 1200886261 /nfs/dbraw/zinc/88/62/61/1200886261.db2.gz GGKHTKBGPXFJDS-UHFFFAOYSA-N 0 2 370.325 0.269 20 5 FCBDLN O=C(c1ccc2[nH]nnc2c1)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000969003378 1212221816 /nfs/dbraw/zinc/22/18/16/1212221816.db2.gz GVWPBXBMXAORFQ-NWJSVONSSA-N 0 2 370.369 0.439 20 5 FCBDLN CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CN(C(=O)c2cn[nH]c2-c2ccccn2)C1 ZINC000954239624 1213050493 /nfs/dbraw/zinc/05/04/93/1213050493.db2.gz MLPSGVSAAZOILE-BXUZGUMPSA-N 0 2 370.369 0.420 20 5 FCBDLN O=C(NC1CCN(C(=O)c2ccc3[nH]nnc3c2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000946723915 1247973049 /nfs/dbraw/zinc/97/30/49/1247973049.db2.gz YAOXIBPDFZZPSO-BXUZGUMPSA-N 0 2 358.358 0.344 20 5 FCBDLN CCn1cc(-c2nn[nH]n2)c(=O)n(CCc2ccc([N+](=O)[O-])cc2)c1=O ZINC001604600752 1287676730 /nfs/dbraw/zinc/67/67/30/1287676730.db2.gz FMZADRTZWWORJP-UHFFFAOYSA-N 0 2 357.330 0.361 20 5 FCBDLN C[C@H]1C[N@H+](CCC(=O)[O-])CCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC001604793847 1287783990 /nfs/dbraw/zinc/78/39/90/1287783990.db2.gz GBQJRIKRPBSLQB-NSHDSACASA-N 0 2 357.388 0.764 20 5 FCBDLN C[C@H]1C[N@@H+](CCC(=O)[O-])CCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC001604793847 1287783991 /nfs/dbraw/zinc/78/39/91/1287783991.db2.gz GBQJRIKRPBSLQB-NSHDSACASA-N 0 2 357.388 0.764 20 5 FCBDLN O=C([O-])C1(O)CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC1 ZINC001602625453 1287038563 /nfs/dbraw/zinc/03/85/63/1287038563.db2.gz LDIKXHOVTSCXCZ-UHFFFAOYSA-N 0 2 360.326 0.832 20 5 FCBDLN O=[N+]([O-])c1cnc(Nc2cnn(-c3ncccc3-c3nn[nH]n3)c2)nc1 ZINC001607085692 1288653726 /nfs/dbraw/zinc/65/37/26/1288653726.db2.gz KDDVFKZOCBPQAZ-UHFFFAOYSA-N 0 2 351.290 0.889 20 5 FCBDLN CN(CCCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)c1cc(C(F)F)[nH]n1 ZINC001067389765 837457319 /nfs/dbraw/zinc/45/73/19/837457319.db2.gz OHBHYCLGEJSLLH-LDYMZIIASA-N 0 2 359.333 0.933 20 5 FCBDLN O=c1nnc(Br)c(O[C@@H]2COc3nc([N+](=O)[O-])cn3C2)[nH]1 ZINC001227067007 857139483 /nfs/dbraw/zinc/13/94/83/857139483.db2.gz RGKNJILLBOYPDG-BYPYZUCNSA-N 0 2 359.096 0.284 20 5 FCBDLN C[S@@](=O)CC[NH+]1CCN(c2ccc(CC(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC001262497241 858963647 /nfs/dbraw/zinc/96/36/47/858963647.db2.gz BIXQYGZCINKKQD-XMMPIXPASA-N 0 2 355.416 0.722 20 5 FCBDLN C[C@@H]1C[N@H+](CCC(=O)[O-])CCN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC001594524753 986027646 /nfs/dbraw/zinc/02/76/46/986027646.db2.gz CWFYCVUHPZXWBX-LLVKDONJSA-N 0 2 357.388 0.764 20 5 FCBDLN C[C@@H]1C[N@@H+](CCC(=O)[O-])CCN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC001594524753 986027659 /nfs/dbraw/zinc/02/76/59/986027659.db2.gz CWFYCVUHPZXWBX-LLVKDONJSA-N 0 2 357.388 0.764 20 5 FCBDLN C[N@H+]1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-] ZINC001598572032 993212664 /nfs/dbraw/zinc/21/26/64/993212664.db2.gz GHUTXQGXJOIYHJ-PHIMTYICSA-N 0 2 355.372 0.760 20 5 FCBDLN C[N@@H+]1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-] ZINC001598572032 993212670 /nfs/dbraw/zinc/21/26/70/993212670.db2.gz GHUTXQGXJOIYHJ-PHIMTYICSA-N 0 2 355.372 0.760 20 5 FCBDLN O=c1nc(C2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3F)CC2)[nH][nH]1 ZINC000294766708 214264326 /nfs/dbraw/zinc/26/43/26/214264326.db2.gz YUHSPBZZWBPABJ-UHFFFAOYSA-N 0 2 371.350 0.714 20 5 FCBDLN COC(=O)c1cn([C@H]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3O)C2)nn1 ZINC000365288912 215806613 /nfs/dbraw/zinc/80/66/13/215806613.db2.gz KDPADOSPJQTLJF-JTQLQIEISA-N 0 2 361.314 0.766 20 5 FCBDLN NS(=O)(=O)c1ccc(N2CCC[C@@H](C3N=NC(=O)O3)C2)c([N+](=O)[O-])c1 ZINC000375042399 217210364 /nfs/dbraw/zinc/21/03/64/217210364.db2.gz LACXAICBKRDSBM-MRVPVSSYSA-N 0 2 369.359 0.715 20 5 FCBDLN CCOC(=O)Cn1cnc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)n1 ZINC000424216977 247177712 /nfs/dbraw/zinc/17/77/12/247177712.db2.gz CHVSDAGLAXULJW-UHFFFAOYSA-N 0 2 369.359 0.859 20 5 FCBDLN NC(=O)c1cccnc1N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000436964825 248054290 /nfs/dbraw/zinc/05/42/90/248054290.db2.gz RMKGMYLMKKXGBL-UHFFFAOYSA-N 0 2 371.353 0.757 20 5 FCBDLN NC(=O)CNC(=O)c1ccc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)cc1 ZINC000436955849 248055146 /nfs/dbraw/zinc/05/51/46/248055146.db2.gz JFMHEANULACVBA-UHFFFAOYSA-N 0 2 358.310 0.768 20 5 FCBDLN CNC(=O)Cn1cnc(NS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)n1 ZINC000266363959 210328467 /nfs/dbraw/zinc/32/84/67/210328467.db2.gz SVNWKCJAXALPNS-UHFFFAOYSA-N 0 2 368.375 0.350 20 5 FCBDLN CN(C)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000363636017 488866618 /nfs/dbraw/zinc/86/66/18/488866618.db2.gz SNMNCWRPSNXURE-TZMCWYRMSA-N 0 2 353.400 0.881 20 5 FCBDLN COCCO[C@H]1C[C@@H](CO)CN(C(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000278526861 488879851 /nfs/dbraw/zinc/87/98/51/488879851.db2.gz GYYZBHCGKHYMLY-YPMHNXCESA-N 0 2 354.359 0.786 20 5 FCBDLN Cc1ccc(S(=O)(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)[O-])cc1[N+](=O)[O-] ZINC000323871710 488904248 /nfs/dbraw/zinc/90/42/48/488904248.db2.gz RQZUZZZINYOFSF-NSHDSACASA-N 0 2 354.344 0.601 20 5 FCBDLN Cc1ccc(S(=O)(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)[O-])cc1[N+](=O)[O-] ZINC000323871710 488904250 /nfs/dbraw/zinc/90/42/50/488904250.db2.gz RQZUZZZINYOFSF-NSHDSACASA-N 0 2 354.344 0.601 20 5 FCBDLN COC(=O)[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)[C@H](C(=O)OC)C1 ZINC000274962924 488748459 /nfs/dbraw/zinc/74/84/59/488748459.db2.gz UMKPKFPZVWFMRC-SKDRFNHKSA-N 0 2 366.326 0.867 20 5 FCBDLN CC(C)NS(=O)(=O)N1CCN(C(=O)c2cc([N+](=O)[O-])ccc2O)CC1 ZINC000457850641 489659364 /nfs/dbraw/zinc/65/93/64/489659364.db2.gz UYFHIEQDLLEEPE-UHFFFAOYSA-N 0 2 372.403 0.301 20 5 FCBDLN COc1ncc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1C(N)=O ZINC000474390882 489759684 /nfs/dbraw/zinc/75/96/84/489759684.db2.gz RERCLBXJMXFIDA-UHFFFAOYSA-N 0 2 352.328 0.898 20 5 FCBDLN COC(=O)COc1ccc(S(=O)(=O)Nc2ccncc2[N+](=O)[O-])cc1 ZINC000461106452 489896602 /nfs/dbraw/zinc/89/66/02/489896602.db2.gz IDPCOEHOIOUWPE-UHFFFAOYSA-N 0 2 367.339 0.764 20 5 FCBDLN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436822735 490013897 /nfs/dbraw/zinc/01/38/97/490013897.db2.gz QKNHFQSTYPWFSU-RKDXNWHRSA-N 0 2 353.331 0.487 20 5 FCBDLN C[C@@]1(C2CCN(C(=O)c3cc([N+](=O)[O-])ccc3O)CC2)NC(=O)NC1=O ZINC000378547569 490088147 /nfs/dbraw/zinc/08/81/47/490088147.db2.gz JGYISAMZWWJFLR-INIZCTEOSA-N 0 2 362.342 0.751 20 5 FCBDLN O=C(NCCNS(=O)(=O)c1cccnc1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000448426355 490349414 /nfs/dbraw/zinc/34/94/14/490349414.db2.gz OKOSTMIDEYYLIM-UHFFFAOYSA-N 0 2 366.355 0.404 20 5 FCBDLN Cc1cc(S(=O)(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)[O-])ccc1[N+](=O)[O-] ZINC000547870106 490368960 /nfs/dbraw/zinc/36/89/60/490368960.db2.gz YSHCTPHAUGCBKV-NSHDSACASA-N 0 2 354.344 0.601 20 5 FCBDLN Cc1cc(S(=O)(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)[O-])ccc1[N+](=O)[O-] ZINC000547870106 490368964 /nfs/dbraw/zinc/36/89/64/490368964.db2.gz YSHCTPHAUGCBKV-NSHDSACASA-N 0 2 354.344 0.601 20 5 FCBDLN C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000537766479 490694519 /nfs/dbraw/zinc/69/45/19/490694519.db2.gz DJNGLRDXHFWSKV-MRVPVSSYSA-N 0 2 369.359 0.339 20 5 FCBDLN CNC(=O)Cn1nc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1C ZINC000504261929 490793000 /nfs/dbraw/zinc/79/30/00/490793000.db2.gz ZFHYZVKHFTYOTN-UHFFFAOYSA-N 0 2 367.387 0.955 20 5 FCBDLN Nc1nc(N2CCCN(c3ccc(C(=O)[O-])c[nH+]3)CC2)ncc1[N+](=O)[O-] ZINC000578015892 491667954 /nfs/dbraw/zinc/66/79/54/491667954.db2.gz AUUXOEYRYSVJEZ-UHFFFAOYSA-N 0 2 359.346 0.777 20 5 FCBDLN COCc1nnc(CN2C(=O)N[C@](C)(c3cccc([N+](=O)[O-])c3)C2=O)[nH]1 ZINC000600697222 491877242 /nfs/dbraw/zinc/87/72/42/491877242.db2.gz BPEBTMSUWDDLHE-OAHLLOKOSA-N 0 2 360.330 0.827 20 5 FCBDLN CNC(=O)Cn1cc(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cn1 ZINC000603983003 492048562 /nfs/dbraw/zinc/04/85/62/492048562.db2.gz UWGFYIGLIJXBPH-UHFFFAOYSA-N 0 2 373.778 0.992 20 5 FCBDLN NS(=O)(=O)NC[C@@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000597734820 492062391 /nfs/dbraw/zinc/06/23/91/492062391.db2.gz DQPQBJOKKCCWPJ-JTQLQIEISA-N 0 2 358.376 0.088 20 5 FCBDLN O=c1[nH]nc(CCCNc2ncnc(N3CCOCC3)c2[N+](=O)[O-])[nH]1 ZINC000598603506 492107593 /nfs/dbraw/zinc/10/75/93/492107593.db2.gz UXJZJAHRVPNUDW-UHFFFAOYSA-N 0 2 350.339 0.090 20 5 FCBDLN C[C@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)C(=O)N1c1cnn(C)c1 ZINC000610365216 492243202 /nfs/dbraw/zinc/24/32/02/492243202.db2.gz HONRMFXVXPUVLF-JOYOIKCWSA-N 0 2 359.342 0.958 20 5 FCBDLN COC(=O)[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2O)[C@@H]1C(=O)OC ZINC000436956614 536779552 /nfs/dbraw/zinc/77/95/52/536779552.db2.gz NYQZFGFESDZXOL-GWCFXTLKSA-N 0 2 366.326 0.867 20 5 FCBDLN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)[C@@H]1CCS(=O)(=O)N1 ZINC000593893406 546994631 /nfs/dbraw/zinc/99/46/31/546994631.db2.gz SEFUVQSUZKPXCN-VIFPVBQESA-N 0 2 352.332 0.010 20 5 FCBDLN O=C([O-])Cn1cc(COC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)nn1 ZINC000821539690 597358923 /nfs/dbraw/zinc/35/89/23/597358923.db2.gz KHSLRNAJJMULQA-UHFFFAOYSA-N 0 2 372.297 0.814 20 5 FCBDLN C[C@@H](CC(=O)[O-])[NH+]1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000827385644 601258096 /nfs/dbraw/zinc/25/80/96/601258096.db2.gz MHPOYASOZYUVBX-NSHDSACASA-N 0 2 357.388 0.764 20 5 FCBDLN O=C(N[C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)c1n[nH]c2ccccc21 ZINC000978800483 1186006659 /nfs/dbraw/zinc/00/66/59/1186006659.db2.gz UEPNOUJEAHCYFG-IQOUGMIPSA-N 0 2 357.370 0.853 20 5 FCBDLN CCCn1cc(C(=O)N2CCC(N(C)C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)nn1 ZINC000953926932 1213023832 /nfs/dbraw/zinc/02/38/32/1213023832.db2.gz JAWHTCWSZOXKHS-TZMCWYRMSA-N 0 2 364.406 0.416 20 5 FCBDLN O=C(NCc1ccc(C[NH2+]Cc2n[nH]c(=O)[n-]2)cc1F)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001001525332 1216234456 /nfs/dbraw/zinc/23/44/56/1216234456.db2.gz WWLCMXZDHSNOTB-ZYHUDNBSSA-N 0 2 364.337 0.221 20 5 FCBDLN O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC2(C1)CCN(Cc1n[nH]c(C3CC3)n1)CC2 ZINC001050517357 1216328717 /nfs/dbraw/zinc/32/87/17/1216328717.db2.gz PSHZZVSUPOCECI-CHWSQXEVSA-N 0 2 360.418 0.772 20 5 FCBDLN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)Cn1[nH]cc2c(=O)ncnc1-2 ZINC000801091461 1218064736 /nfs/dbraw/zinc/06/47/36/1218064736.db2.gz XAJQBAFKXZQOAJ-UHFFFAOYSA-N 0 2 356.342 0.681 20 5 FCBDLN COc1ccc(CNC(=O)c2c[nH]nc2NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC000839683127 1222754151 /nfs/dbraw/zinc/75/41/51/1222754151.db2.gz KRKZDBNCDZRYRV-DGCLKSJQSA-N 0 2 359.342 0.952 20 5 FCBDLN CN(CCc1ccccc1[N+](=O)[O-])C(=O)Cn1[nH]cc2c(=O)ncnc1-2 ZINC000804176397 1245313516 /nfs/dbraw/zinc/31/35/16/1245313516.db2.gz MVTKFISSGLPALK-UHFFFAOYSA-N 0 2 356.342 0.681 20 5 FCBDLN Cc1ncc(C(=O)N2CCC3(C2)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC3)[nH]1 ZINC000944385113 1247543649 /nfs/dbraw/zinc/54/36/49/1247543649.db2.gz LLMFISHETPAMAN-TZMCWYRMSA-N 0 2 361.402 0.838 20 5 FCBDLN CCN(CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)C(=O)Cc1ncn[nH]1 ZINC001081083911 1256171200 /nfs/dbraw/zinc/17/12/00/1256171200.db2.gz YPDLYORVAMPBMM-CHWSQXEVSA-N 0 2 364.406 0.100 20 5 FCBDLN C[C@@H](Nc1[nH]c(=O)n(C)c(=O)c1-c1nn[nH]n1)c1cccc([N+](=O)[O-])c1 ZINC001589978257 1283153738 /nfs/dbraw/zinc/15/37/38/1283153738.db2.gz KODCZLBEKKMQIN-SSDOTTSWSA-N 0 2 358.318 0.747 20 5 FCBDLN Cc1c(-c2nn[nH]n2)nn(-c2cccnc2)c1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001591798841 1284914065 /nfs/dbraw/zinc/91/40/65/1284914065.db2.gz AKCVKRGNOIIISK-NXEZZACHSA-N 0 2 355.318 0.360 20 5 FCBDLN Cc1c(-c2nn[nH]n2)nn(-c2cccnc2)c1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001591798841 1284914077 /nfs/dbraw/zinc/91/40/77/1284914077.db2.gz AKCVKRGNOIIISK-NXEZZACHSA-N 0 2 355.318 0.360 20 5 FCBDLN Cc1cc(-c2nn[nH]n2)c(=O)n(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)c1 ZINC001591836527 1284944928 /nfs/dbraw/zinc/94/49/28/1284944928.db2.gz ZWYBBTHHBXYURO-UHFFFAOYSA-N 0 2 369.341 0.908 20 5 FCBDLN C[C@@H]1C[N@H+](CCC(=O)[O-])CCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC001604793846 1287784430 /nfs/dbraw/zinc/78/44/30/1287784430.db2.gz GBQJRIKRPBSLQB-LLVKDONJSA-N 0 2 357.388 0.764 20 5 FCBDLN C[C@@H]1C[N@@H+](CCC(=O)[O-])CCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC001604793846 1287784434 /nfs/dbraw/zinc/78/44/34/1287784434.db2.gz GBQJRIKRPBSLQB-LLVKDONJSA-N 0 2 357.388 0.764 20 5 FCBDLN Cc1ccc2[nH]nc(C(=O)NC3(CNC(=O)[C@@H]4C[C@H]4[N+](=O)[O-])CC3)c2c1 ZINC001689582969 1294798047 /nfs/dbraw/zinc/79/80/47/1294798047.db2.gz QFNUKKMSNTWFQZ-DGCLKSJQSA-N 0 2 357.370 0.915 20 5 FCBDLN O=[N+]([O-])c1ccc(CO[C@H](C[NH+]2CCOCC2)CS(=O)(=O)[O-])cc1 ZINC001222791005 856872895 /nfs/dbraw/zinc/87/28/95/856872895.db2.gz GQVITLBQCXSHKY-CQSZACIVSA-N 0 2 360.388 0.700 20 5 FCBDLN O=C([O-])C(=O)N1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC000738516783 969147640 /nfs/dbraw/zinc/14/76/40/969147640.db2.gz HTPUEOIIIZNNTM-UHFFFAOYSA-N 0 2 373.325 0.150 20 5 FCBDLN C[C@]1(F)C[NH2+]CCN(S(=O)(=O)c2ccc(C(=O)[O-])c([N+](=O)[O-])c2)C1 ZINC001594046735 997707310 /nfs/dbraw/zinc/70/73/10/997707310.db2.gz DAXFQUKGFPLJKV-ZDUSSCGKSA-N 0 2 361.351 0.615 20 5 FCBDLN COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@H](O)C[C@@H](C(=O)[O-])C1 ZINC001599462302 998295010 /nfs/dbraw/zinc/29/50/10/998295010.db2.gz XMQXIQHSAAWQGQ-MWLCHTKSSA-N 0 2 353.331 0.309 20 5 FCBDLN COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@H](O)C[C@@H](C(=O)[O-])C1 ZINC001599462302 998295019 /nfs/dbraw/zinc/29/50/19/998295019.db2.gz XMQXIQHSAAWQGQ-MWLCHTKSSA-N 0 2 353.331 0.309 20 5 FCBDLN Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CCOC[C@@H](O)C1 ZINC000295432640 214295969 /nfs/dbraw/zinc/29/59/69/214295969.db2.gz XTJMCOPCMDRUAE-VIFPVBQESA-N 0 2 350.780 0.938 20 5 FCBDLN COC(=O)CCN1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2O)C1=O ZINC000436957180 248054877 /nfs/dbraw/zinc/05/48/77/248054877.db2.gz SJCUAHDQJXNQGA-LLVKDONJSA-N 0 2 351.315 0.194 20 5 FCBDLN O=C(NCCCO)C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2O)CC1 ZINC000436970426 248055781 /nfs/dbraw/zinc/05/57/81/248055781.db2.gz DTJUQCSQNJGWLF-UHFFFAOYSA-N 0 2 351.359 0.651 20 5 FCBDLN CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)C(=O)N1CCOCC1 ZINC000439140500 248110833 /nfs/dbraw/zinc/11/08/33/248110833.db2.gz JXTOSJSHIMPJIR-AWEZNQCLSA-N 0 2 351.359 0.914 20 5 FCBDLN COC(=O)Cn1cnc(NS(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)n1 ZINC000481027932 250308516 /nfs/dbraw/zinc/30/85/16/250308516.db2.gz WFUMSPMAUKIEGR-UHFFFAOYSA-N 0 2 369.359 0.777 20 5 FCBDLN Cn1ccc(N2CCC[C@@H](NC(=O)c3ccc([N+](=O)[O-])c(O)c3)C2=O)n1 ZINC000266461013 210339541 /nfs/dbraw/zinc/33/95/41/210339541.db2.gz GQVNNMRGYKXMFJ-LLVKDONJSA-N 0 2 359.342 0.959 20 5 FCBDLN Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1Nc1ncc([N+](=O)[O-])c(N)n1 ZINC000266250578 210310720 /nfs/dbraw/zinc/31/07/20/210310720.db2.gz MWMVWCHLXJYMNT-VIFPVBQESA-N 0 2 367.391 0.884 20 5 FCBDLN CNC(=O)Cn1cnc(NS(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])n1 ZINC000266303578 210318941 /nfs/dbraw/zinc/31/89/41/210318941.db2.gz CEMAINZDTYBDCA-UHFFFAOYSA-N 0 2 368.375 0.350 20 5 FCBDLN COc1ccc(S(=O)(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)[O-])c([N+](=O)[O-])c1 ZINC000327319163 488919034 /nfs/dbraw/zinc/91/90/34/488919034.db2.gz ZDPUIYOIFTYOCY-JTQLQIEISA-N 0 2 370.343 0.301 20 5 FCBDLN COc1ccc(S(=O)(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)[O-])c([N+](=O)[O-])c1 ZINC000327319163 488919035 /nfs/dbraw/zinc/91/90/35/488919035.db2.gz ZDPUIYOIFTYOCY-JTQLQIEISA-N 0 2 370.343 0.301 20 5 FCBDLN COc1ccc(S(=O)(=O)N[C@H](Cc2c[nH+]c[nH]2)C(=O)[O-])c([N+](=O)[O-])c1 ZINC000327319164 488919267 /nfs/dbraw/zinc/91/92/67/488919267.db2.gz ZDPUIYOIFTYOCY-SNVBAGLBSA-N 0 2 370.343 0.301 20 5 FCBDLN COc1ccc(S(=O)(=O)N[C@H](Cc2c[nH]c[nH+]2)C(=O)[O-])c([N+](=O)[O-])c1 ZINC000327319164 488919268 /nfs/dbraw/zinc/91/92/68/488919268.db2.gz ZDPUIYOIFTYOCY-SNVBAGLBSA-N 0 2 370.343 0.301 20 5 FCBDLN CN1C(=O)N[C@@]2(CCC[C@H]2CNC(=O)c2ccc([N+](=O)[O-])cc2O)C1=O ZINC000364361272 488951434 /nfs/dbraw/zinc/95/14/34/488951434.db2.gz NJRKUOZLSOHDBU-XXFAHNHDSA-N 0 2 362.342 0.751 20 5 FCBDLN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cnn(CC(N)=O)c2)c1C ZINC000047251703 488020652 /nfs/dbraw/zinc/02/06/52/488020652.db2.gz MDJNMAZTOMEJOA-UHFFFAOYSA-N 0 2 353.360 0.694 20 5 FCBDLN COC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000273647859 488664773 /nfs/dbraw/zinc/66/47/73/488664773.db2.gz UCTXSJMRLYTOTL-NSHDSACASA-N 0 2 367.358 0.734 20 5 FCBDLN COC(=O)[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)[C@@H](C(=O)OC)C1 ZINC000274962921 488748370 /nfs/dbraw/zinc/74/83/70/488748370.db2.gz UMKPKFPZVWFMRC-BXKDBHETSA-N 0 2 366.326 0.867 20 5 FCBDLN O=C(CN1CCN(C(=O)c2cccc(O)c2[N+](=O)[O-])CC1)N1CCCC1 ZINC000281265193 489063711 /nfs/dbraw/zinc/06/37/11/489063711.db2.gz VSNGWUVSYQWQPI-UHFFFAOYSA-N 0 2 362.386 0.681 20 5 FCBDLN O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@@H](F)C(F)(F)F ZINC000290435096 489140010 /nfs/dbraw/zinc/14/00/10/489140010.db2.gz IFMUEOOQWMHECY-SECBINFHSA-N 0 2 373.284 0.890 20 5 FCBDLN O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C(F)C(F)(F)F ZINC000290435096 489140014 /nfs/dbraw/zinc/14/00/14/489140014.db2.gz IFMUEOOQWMHECY-SECBINFHSA-N 0 2 373.284 0.890 20 5 FCBDLN C[C@]1(C[C@@H]2CCCN2C(=O)c2cccc(O)c2[N+](=O)[O-])NC(=O)NC1=O ZINC000286275576 489375648 /nfs/dbraw/zinc/37/56/48/489375648.db2.gz QTMAKZLDYWKMKA-XXFAHNHDSA-N 0 2 362.342 0.893 20 5 FCBDLN O=C(NCC1([NH+]2CCOCC2)CCOCC1)c1cccc([N+](=O)[O-])c1[O-] ZINC000457976041 489664950 /nfs/dbraw/zinc/66/49/50/489664950.db2.gz FYCKMMYAQVPIBD-UHFFFAOYSA-N 0 2 365.386 0.912 20 5 FCBDLN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCCCc1n[nH]c(=O)[nH]1 ZINC000488973539 489689544 /nfs/dbraw/zinc/68/95/44/489689544.db2.gz IGFFPTHQPXQQPP-SECBINFHSA-N 0 2 366.382 0.400 20 5 FCBDLN CCn1cc(S(=O)(=O)Nc2ccc3nc(C)nn3c2)c([N+](=O)[O-])n1 ZINC000430348613 489731821 /nfs/dbraw/zinc/73/18/21/489731821.db2.gz BFRBHRQYKQQJEG-UHFFFAOYSA-N 0 2 351.348 0.963 20 5 FCBDLN CS(=O)(=O)c1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2O)cn1 ZINC000475794158 489848604 /nfs/dbraw/zinc/84/86/04/489848604.db2.gz FOTHXIREBBTWDG-UHFFFAOYSA-N 0 2 373.368 0.900 20 5 FCBDLN COC(=O)Cc1nnc(NS(=O)(=O)CCc2ccccc2[N+](=O)[O-])[nH]1 ZINC000460535305 489871798 /nfs/dbraw/zinc/87/17/98/489871798.db2.gz UYQBBJFERNRHOG-UHFFFAOYSA-N 0 2 369.359 0.413 20 5 FCBDLN Cc1nc(S(=O)(=O)NCC(=O)Nc2ccc(O)c([N+](=O)[O-])c2)cn1C ZINC000483434574 490317479 /nfs/dbraw/zinc/31/74/79/490317479.db2.gz DRYRWVHGIRJWFC-UHFFFAOYSA-N 0 2 369.359 0.259 20 5 FCBDLN C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000547789369 490355990 /nfs/dbraw/zinc/35/59/90/490355990.db2.gz SAAYBFUAFKGWSC-NSHDSACASA-N 0 2 362.386 0.725 20 5 FCBDLN Cc1cc(S(=O)(=O)N[C@H](Cc2c[nH+]c[nH]2)C(=O)[O-])ccc1[N+](=O)[O-] ZINC000547870105 490369576 /nfs/dbraw/zinc/36/95/76/490369576.db2.gz YSHCTPHAUGCBKV-LLVKDONJSA-N 0 2 354.344 0.601 20 5 FCBDLN Cc1cc(S(=O)(=O)N[C@H](Cc2c[nH]c[nH+]2)C(=O)[O-])ccc1[N+](=O)[O-] ZINC000547870105 490369578 /nfs/dbraw/zinc/36/95/78/490369578.db2.gz YSHCTPHAUGCBKV-LLVKDONJSA-N 0 2 354.344 0.601 20 5 FCBDLN Cc1sc(S(=O)(=O)N[C@H](Cc2c[nH+]c[nH]2)C(=O)[O-])cc1[N+](=O)[O-] ZINC000547871293 490371229 /nfs/dbraw/zinc/37/12/29/490371229.db2.gz QLZQHKVBJIFQNB-MRVPVSSYSA-N 0 2 360.373 0.662 20 5 FCBDLN Cc1sc(S(=O)(=O)N[C@H](Cc2c[nH]c[nH+]2)C(=O)[O-])cc1[N+](=O)[O-] ZINC000547871293 490371236 /nfs/dbraw/zinc/37/12/36/490371236.db2.gz QLZQHKVBJIFQNB-MRVPVSSYSA-N 0 2 360.373 0.662 20 5 FCBDLN CN(C)C(=O)Cn1cnc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)n1 ZINC000564973078 491342179 /nfs/dbraw/zinc/34/21/79/491342179.db2.gz RKPHLQVSFVQMPR-UHFFFAOYSA-N 0 2 354.348 0.075 20 5 FCBDLN COc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000538754240 490747247 /nfs/dbraw/zinc/74/72/47/490747247.db2.gz GPZZWHVOAPIAQP-UHFFFAOYSA-N 0 2 354.344 0.842 20 5 FCBDLN O=C(NCc1n[nH]c(=O)[nH]1)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000504643475 490807868 /nfs/dbraw/zinc/80/78/68/490807868.db2.gz AXDCCEBADFDZCK-UHFFFAOYSA-N 0 2 372.244 0.275 20 5 FCBDLN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccn(CC(N)=O)n2)c1C ZINC000516414847 490862888 /nfs/dbraw/zinc/86/28/88/490862888.db2.gz TVCIEYPKYDBOIY-UHFFFAOYSA-N 0 2 353.360 0.694 20 5 FCBDLN CCOC(=O)Cn1cnc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)n1 ZINC000584231882 491861251 /nfs/dbraw/zinc/86/12/51/491861251.db2.gz VAQXKBFXIRIIMP-UHFFFAOYSA-N 0 2 355.332 0.550 20 5 FCBDLN NS(=O)(=O)NC[C@@H]1CCCCN1C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000597739089 492063092 /nfs/dbraw/zinc/06/30/92/492063092.db2.gz XKFCCZQIVSOGBO-VIFPVBQESA-N 0 2 358.376 0.088 20 5 FCBDLN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccn(CCC(N)=O)n1 ZINC000609796514 492222409 /nfs/dbraw/zinc/22/24/09/492222409.db2.gz YKGZLQYEQVURQB-UHFFFAOYSA-N 0 2 353.360 0.776 20 5 FCBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCN(S(=O)(=O)C2CC2)CC1 ZINC000600227711 492250351 /nfs/dbraw/zinc/25/03/51/492250351.db2.gz FDUXBTBAFXKNJH-UHFFFAOYSA-N 0 2 355.372 0.550 20 5 FCBDLN COC(=O)Cn1cnc(NS(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])n1 ZINC000437316186 536386618 /nfs/dbraw/zinc/38/66/18/536386618.db2.gz CEFIGHNWPSYRHC-UHFFFAOYSA-N 0 2 355.332 0.469 20 5 FCBDLN CC(C)CC(=O)N[C@H](CC(N)=O)C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000619582830 546910050 /nfs/dbraw/zinc/91/00/50/546910050.db2.gz MMSKFDAYKFHVTI-LLVKDONJSA-N 0 2 352.347 0.645 20 5 FCBDLN CC(C)[C@H](CNS(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1)[NH+]1CCOCC1 ZINC000591885865 546942384 /nfs/dbraw/zinc/94/23/84/546942384.db2.gz ZGRNWZQNXPQLDF-AWEZNQCLSA-N 0 2 373.431 0.936 20 5 FCBDLN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000552222022 547324795 /nfs/dbraw/zinc/32/47/95/547324795.db2.gz GDAIBIICOOYENZ-IUCAKERBSA-N 0 2 353.331 0.487 20 5 FCBDLN C[C@H](NC(=O)c1ccc(NC[C@@H]2C[N@H+](C)CCO2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000736657995 599967472 /nfs/dbraw/zinc/96/74/72/599967472.db2.gz XNFHNLTYBXCBIT-CMPLNLGQSA-N 0 2 366.374 0.540 20 5 FCBDLN C[C@H](NC(=O)c1ccc(NC[C@@H]2C[N@@H+](C)CCO2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000736657995 599967476 /nfs/dbraw/zinc/96/74/76/599967476.db2.gz XNFHNLTYBXCBIT-CMPLNLGQSA-N 0 2 366.374 0.540 20 5 FCBDLN O=C([O-])C[N@H+](CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C1CC1 ZINC000833247746 601580594 /nfs/dbraw/zinc/58/05/94/601580594.db2.gz UINQWPWXRQUUAH-UHFFFAOYSA-N 0 2 362.386 0.792 20 5 FCBDLN O=C([O-])C[N@@H+](CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C1CC1 ZINC000833247746 601580595 /nfs/dbraw/zinc/58/05/95/601580595.db2.gz UINQWPWXRQUUAH-UHFFFAOYSA-N 0 2 362.386 0.792 20 5 FCBDLN CC(C)(NC(=O)C(F)(F)F)C(=O)OCCn1cc([N+](=O)[O-])ccc1=O ZINC000759124225 667795067 /nfs/dbraw/zinc/79/50/67/667795067.db2.gz WKLDXHUDFVSKGE-UHFFFAOYSA-N 0 2 365.264 0.757 20 5 FCBDLN COCCN(C)S(=O)(=O)c1ccc(N(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC000841200653 670540540 /nfs/dbraw/zinc/54/05/40/670540540.db2.gz QBWANKOEFRQRDK-ZIAGYGMSSA-N 0 2 371.415 0.582 20 5 FCBDLN O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC2(C1)CCCN(Cc1n[nH]c(C3CC3)n1)C2 ZINC000981765277 1186513672 /nfs/dbraw/zinc/51/36/72/1186513672.db2.gz XLQPMSPYJABESR-CHWSQXEVSA-N 0 2 360.418 0.772 20 5 FCBDLN COC(=O)c1cc(NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)cc([N+](=O)[O-])c1 ZINC000736196337 1197922858 /nfs/dbraw/zinc/92/28/58/1197922858.db2.gz OEGYEDAMPINMAD-UHFFFAOYSA-N 0 2 372.297 0.405 20 5 FCBDLN O=C(c1cccc2nn[nH]c21)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000969003343 1212221544 /nfs/dbraw/zinc/22/15/44/1212221544.db2.gz FTVHZELVDAGXAP-IQOUGMIPSA-N 0 2 370.369 0.439 20 5 FCBDLN O=C(NCC1=CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)c1ccc2[nH]nnc2c1 ZINC001017446433 1214097127 /nfs/dbraw/zinc/09/71/27/1214097127.db2.gz SVQVWBAFCZCQMA-IUODEOHRSA-N 0 2 370.369 0.512 20 5 FCBDLN CC(C)c1cc(C(=O)N2CC3(C2)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C3)n[nH]1 ZINC001019484421 1214257762 /nfs/dbraw/zinc/25/77/62/1214257762.db2.gz OYDBJZLCHPDKKU-BXUZGUMPSA-N 0 2 361.402 0.873 20 5 FCBDLN O=C(Cc1ncn[nH]1)N1Cc2ccc(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])cc2C1 ZINC000965867886 1215138148 /nfs/dbraw/zinc/13/81/48/1215138148.db2.gz FZILNQWSUSMSPY-ZIAGYGMSSA-N 0 2 370.369 0.171 20 5 FCBDLN O=C(NCc1ccc2c(c1)CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C2)c1cnn[nH]1 ZINC000965871054 1215138480 /nfs/dbraw/zinc/13/84/80/1215138480.db2.gz YDHAKORQAFPPOD-TZMCWYRMSA-N 0 2 356.342 0.242 20 5 FCBDLN O=C(CCc1cnn[nH]1)N[C@H]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001060848659 1254142332 /nfs/dbraw/zinc/14/23/32/1254142332.db2.gz AGQZADDQOYMUCU-HBJVGIJOSA-N 0 2 364.406 0.194 20 5 FCBDLN COc1ccc(Cn2c(=O)c(-c3nn[nH]n3)c(C)n(C)c2=O)cc1[N+](=O)[O-] ZINC001591604857 1284765166 /nfs/dbraw/zinc/76/51/66/1284765166.db2.gz KZRIABZMSWMTKI-UHFFFAOYSA-N 0 2 373.329 0.001 20 5 FCBDLN Cc1c(Oc2c(-c3nn[nH]n3)c(=O)n(C)c(=O)n2C)cccc1[N+](=O)[O-] ZINC001591831571 1284935739 /nfs/dbraw/zinc/93/57/39/1284935739.db2.gz YWWTUKSXAXYJOT-UHFFFAOYSA-N 0 2 359.302 0.273 20 5 FCBDLN CCn1cc(-c2nn[nH]n2)c(=O)n(Cc2ccc(OC)c([N+](=O)[O-])c2)c1=O ZINC001609258111 1289022830 /nfs/dbraw/zinc/02/28/30/1289022830.db2.gz RQXDDQCAFBESHC-UHFFFAOYSA-N 0 2 373.329 0.175 20 5 FCBDLN O=c1c(-c2nn[nH]n2)ccc(C(F)(F)F)n1CCn1cc([N+](=O)[O-])cn1 ZINC001593492819 1286179991 /nfs/dbraw/zinc/17/99/91/1286179991.db2.gz PHFWSGDALMVYSG-UHFFFAOYSA-N 0 2 370.251 0.852 20 5 FCBDLN O=c1[nH]nc([C@H]2CCCN(c3cc(-c4nn[nH]n4)ccc3[N+](=O)[O-])C2)[nH]1 ZINC001593497394 1286180607 /nfs/dbraw/zinc/18/06/07/1286180607.db2.gz BAIDHGCXKCBTEH-VIFPVBQESA-N 0 2 357.334 0.983 20 5 FCBDLN O=c1[nH]nc([C@@H]2CCCN(c3ccc(-c4nn[nH]n4)c([N+](=O)[O-])c3)C2)[nH]1 ZINC001593497747 1286181049 /nfs/dbraw/zinc/18/10/49/1286181049.db2.gz KWMRUXJVSYSHMZ-MRVPVSSYSA-N 0 2 357.334 0.983 20 5 FCBDLN O=C([O-])[C@H](Cn1cc[nH+]c1)NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC001601391132 1286739510 /nfs/dbraw/zinc/73/95/10/1286739510.db2.gz JMOFLTKDIVUJAQ-LBPRGKRZSA-N 0 2 358.314 0.411 20 5 FCBDLN Cc1cc(S(=O)(=O)N2CC[NH+](CC(=O)[O-])CC2)cc([N+](=O)[O-])c1F ZINC001607704002 1288734742 /nfs/dbraw/zinc/73/47/42/1288734742.db2.gz KBLKFTMGMYVZFM-UHFFFAOYSA-N 0 2 361.351 0.433 20 5 FCBDLN Cn1ccnc1[C@H]([NH2+]CCn1cc(C(=O)[O-])nn1)c1cccc([N+](=O)[O-])c1 ZINC001608131132 1288776977 /nfs/dbraw/zinc/77/69/77/1288776977.db2.gz INQAOMVSGWYWER-CQSZACIVSA-N 0 2 371.357 0.997 20 5 FCBDLN O=C([O-])[C@@H]1C[C@H](O)C[N@@H+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC001610661694 1289544950 /nfs/dbraw/zinc/54/49/50/1289544950.db2.gz IJJDNLMPGGJCQO-SCZZXKLOSA-N 0 2 357.750 0.954 20 5 FCBDLN O=C([O-])[C@@H]1C[C@H](O)C[N@H+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC001610661694 1289544959 /nfs/dbraw/zinc/54/49/59/1289544959.db2.gz IJJDNLMPGGJCQO-SCZZXKLOSA-N 0 2 357.750 0.954 20 5 FCBDLN O=[N+]([O-])c1c(O)cc(O)cc1OC[C@H]1COCCOCCOCCO1 ZINC001228973179 857241838 /nfs/dbraw/zinc/24/18/38/857241838.db2.gz HMOMWLCBUZDBJX-GFCCVEGCSA-N 0 2 359.331 0.833 20 5 FCBDLN O=[N+]([O-])/C=C/c1ccc(O[C@H](C[NH+]2CCOCC2)CS(=O)(=O)[O-])cc1 ZINC001229120090 857251477 /nfs/dbraw/zinc/25/14/77/857251477.db2.gz VQVAHCYHXRYDHU-LLYBFZRZSA-N 0 2 372.399 0.901 20 5 FCBDLN CN1CCN(S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)CC[N@H+](C)CC1 ZINC001309894235 866954309 /nfs/dbraw/zinc/95/43/09/866954309.db2.gz WEPQYVGXMVUWGA-UHFFFAOYSA-N 0 2 358.420 0.168 20 5 FCBDLN CN1CCN(S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)CC[N@@H+](C)CC1 ZINC001309894235 866954330 /nfs/dbraw/zinc/95/43/30/866954330.db2.gz WEPQYVGXMVUWGA-UHFFFAOYSA-N 0 2 358.420 0.168 20 5 FCBDLN Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N(C)C[C@H](O)C[NH+]2CCOCC2)n1 ZINC001329580066 872118898 /nfs/dbraw/zinc/11/88/98/872118898.db2.gz TVYGYZQUMPEORV-NSHDSACASA-N 0 2 354.363 0.126 20 5 FCBDLN CCOc1ccc(NC(=O)C[NH2+][C@]2(C(=O)[O-])CCOC2)c([N+](=O)[O-])c1 ZINC001597118585 986799938 /nfs/dbraw/zinc/79/99/38/986799938.db2.gz VUHSRZHXWAPZNM-OAHLLOKOSA-N 0 2 353.331 0.765 20 5 FCBDLN COc1ccc(NC(=O)[C@H](C)[N@@H+]2C[C@H](O)C[C@H](C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC001599591029 993683925 /nfs/dbraw/zinc/68/39/25/993683925.db2.gz UAMYOYGKSINDBZ-GARJFASQSA-N 0 2 367.358 0.698 20 5 FCBDLN COc1ccc(NC(=O)[C@H](C)[N@H+]2C[C@H](O)C[C@H](C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC001599591029 993683929 /nfs/dbraw/zinc/68/39/29/993683929.db2.gz UAMYOYGKSINDBZ-GARJFASQSA-N 0 2 367.358 0.698 20 5 FCBDLN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1C[C@@H](O)C[C@H](C(=O)[O-])C1 ZINC001599622519 994103512 /nfs/dbraw/zinc/10/35/12/994103512.db2.gz QYWIZMPEUSAKAU-NHCYSSNCSA-N 0 2 367.358 0.698 20 5 FCBDLN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1C[C@@H](O)C[C@H](C(=O)[O-])C1 ZINC001599622519 994103518 /nfs/dbraw/zinc/10/35/18/994103518.db2.gz QYWIZMPEUSAKAU-NHCYSSNCSA-N 0 2 367.358 0.698 20 5 FCBDLN COC1CCN(C(=O)c2cc(S(N)(=O)=O)cc([N+](=O)[O-])c2C)CC1 ZINC000265399321 210121999 /nfs/dbraw/zinc/12/19/99/210121999.db2.gz HZFFVWSJYDQKSW-UHFFFAOYSA-N 0 2 357.388 0.802 20 5 FCBDLN COC(=O)c1cc(NS(=O)(=O)[C@H](C)C(=O)N(C)C)c(C)c([N+](=O)[O-])c1 ZINC000285342295 213326503 /nfs/dbraw/zinc/32/65/03/213326503.db2.gz VJQXJAMPSRABJE-SECBINFHSA-N 0 2 373.387 0.908 20 5 FCBDLN O=C(NC1CCN(S(=O)(=O)C2CC2)CC1)c1ccc([N+](=O)[O-])cc1O ZINC000363814603 488888719 /nfs/dbraw/zinc/88/87/19/488888719.db2.gz FTLCIYGCVRIKQS-UHFFFAOYSA-N 0 2 369.399 0.987 20 5 FCBDLN COCCO[C@H]1C[C@@H](CO)CN(C(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000278753542 488893942 /nfs/dbraw/zinc/89/39/42/488893942.db2.gz UMYTXHWDPAAOGI-YPMHNXCESA-N 0 2 354.359 0.786 20 5 FCBDLN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)[O-] ZINC000325110931 488908739 /nfs/dbraw/zinc/90/87/39/488908739.db2.gz FFQMWQNBTGAQAX-JTQLQIEISA-N 0 2 354.344 0.601 20 5 FCBDLN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)[O-] ZINC000325110931 488908742 /nfs/dbraw/zinc/90/87/42/488908742.db2.gz FFQMWQNBTGAQAX-JTQLQIEISA-N 0 2 354.344 0.601 20 5 FCBDLN C[C@]1(C[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(O)c2)NC(=O)NC1=O ZINC000288017591 488933084 /nfs/dbraw/zinc/93/30/84/488933084.db2.gz WJJLNEFSHYQJJX-MGPLVRAMSA-N 0 2 362.342 0.893 20 5 FCBDLN COCCN(C(=O)c1ccc([N+](=O)[O-])c(O)c1)[C@H]1CCS(=O)(=O)C1 ZINC000269421055 488501447 /nfs/dbraw/zinc/50/14/47/488501447.db2.gz VWMPCELQEJDNOI-NSHDSACASA-N 0 2 358.372 0.576 20 5 FCBDLN CS(=O)(=O)NC[C@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000272401422 488578331 /nfs/dbraw/zinc/57/83/31/488578331.db2.gz XGBVESMCOTXBFR-LLVKDONJSA-N 0 2 357.388 0.844 20 5 FCBDLN O=c1nc([C@@H]2CCCN(S(=O)(=O)c3cccc(F)c3[N+](=O)[O-])C2)[nH][nH]1 ZINC000288889774 489025770 /nfs/dbraw/zinc/02/57/70/489025770.db2.gz IIQWNGSFYUCCLH-MRVPVSSYSA-N 0 2 371.350 0.714 20 5 FCBDLN Cc1cc(C(=O)N2CCC[C@H]2C(=O)NCc2n[nH]c(=O)[nH]2)ccc1[N+](=O)[O-] ZINC000478543387 490024324 /nfs/dbraw/zinc/02/43/24/490024324.db2.gz PCFLNGMETHXGLV-LBPRGKRZSA-N 0 2 374.357 0.648 20 5 FCBDLN CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)c2cc([N+](=O)[O-])ccc2O)C1=O ZINC000378550452 490088357 /nfs/dbraw/zinc/08/83/57/490088357.db2.gz OFOGQGCTNOPMSJ-ABKXIKBNSA-N 0 2 362.342 0.751 20 5 FCBDLN O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)NCCCc1n[nH]c(=O)[nH]1 ZINC000480034720 490154320 /nfs/dbraw/zinc/15/43/20/490154320.db2.gz IQZXMVZCSGQPPU-UHFFFAOYSA-N 0 2 362.346 0.287 20 5 FCBDLN Cc1c([N+](=O)[O-])cc(C(=O)[O-])cc1S(=O)(=O)NCc1c[nH+]cn1C ZINC000521551162 490274359 /nfs/dbraw/zinc/27/43/59/490274359.db2.gz HKKLSOIAPGAGDJ-UHFFFAOYSA-N 0 2 354.344 0.813 20 5 FCBDLN O=C(NCCCc1n[nH]c(=O)[nH]1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000467470655 490295172 /nfs/dbraw/zinc/29/51/72/490295172.db2.gz WFQLTSFPODCSFE-UHFFFAOYSA-N 0 2 358.318 0.362 20 5 FCBDLN CS(=O)(=O)c1cc(C(=O)NCCCc2n[nH]c(=O)[nH]2)cc([N+](=O)[O-])c1 ZINC000467468838 490295816 /nfs/dbraw/zinc/29/58/16/490295816.db2.gz TYEBUVOGQMCCDN-UHFFFAOYSA-N 0 2 369.359 0.185 20 5 FCBDLN O=C([O-])CCC[NH+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000547971760 490398588 /nfs/dbraw/zinc/39/85/88/490398588.db2.gz BUXOKJXLBVKPGU-UHFFFAOYSA-N 0 2 357.388 0.766 20 5 FCBDLN NC(=O)C(=O)Nc1cccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000509393414 490423387 /nfs/dbraw/zinc/42/33/87/490423387.db2.gz YYMWGMRHDPTWPB-UHFFFAOYSA-N 0 2 364.339 0.819 20 5 FCBDLN COc1cc(S(=O)(=O)Nc2cnn(CC(N)=O)c2)ccc1[N+](=O)[O-] ZINC000469028058 490479380 /nfs/dbraw/zinc/47/93/80/490479380.db2.gz SBRPBYLZUMSLRC-UHFFFAOYSA-N 0 2 355.332 0.086 20 5 FCBDLN CN(CC(=O)Nc1cc([N+](=O)[O-])ccc1O)S(=O)(=O)c1cccnc1 ZINC000539970651 490803639 /nfs/dbraw/zinc/80/36/39/490803639.db2.gz HWOUAAJXJCVZKD-UHFFFAOYSA-N 0 2 366.355 0.955 20 5 FCBDLN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)[C@@H]1CCCS1(=O)=O ZINC000576529134 491622735 /nfs/dbraw/zinc/62/27/35/491622735.db2.gz LTYQKVQVNLEECP-JTQLQIEISA-N 0 2 351.344 0.896 20 5 FCBDLN Cc1[nH]c[nH+]c1CC(=O)NCCNc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000580336418 491726848 /nfs/dbraw/zinc/72/68/48/491726848.db2.gz MIRWHJLBXLQUEC-UHFFFAOYSA-N 0 2 355.358 1.340 20 5 FCBDLN CCOC(=O)c1c[nH]ccc1=NS(=O)(=O)c1cn(CC)nc1[N+](=O)[O-] ZINC000580984493 491754229 /nfs/dbraw/zinc/75/42/29/491754229.db2.gz RLGGRZJVECDGQZ-UHFFFAOYSA-N 0 2 369.359 0.606 20 5 FCBDLN COC(=O)Cc1csc(NS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])n1 ZINC000600665363 491874073 /nfs/dbraw/zinc/87/40/73/491874073.db2.gz LMEDLSHVIKGOHP-UHFFFAOYSA-N 0 2 361.361 0.301 20 5 FCBDLN CC[C@@H](C)c1nc([C@H](C)NS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])n[nH]1 ZINC000599294159 492156119 /nfs/dbraw/zinc/15/61/19/492156119.db2.gz AXNZTRSNQYKAOW-SFYZADRCSA-N 0 2 357.396 0.999 20 5 FCBDLN COC(=O)Cn1cnc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2OC)n1 ZINC000619506961 492267738 /nfs/dbraw/zinc/26/77/38/492267738.db2.gz LSFYOZYBIBHTQW-UHFFFAOYSA-N 0 2 371.331 0.169 20 5 FCBDLN Cn1cc(-c2nn[nH]n2)c(=O)n(Cc2cc(Cl)ccc2[N+](=O)[O-])c1=O ZINC000826357255 608096039 /nfs/dbraw/zinc/09/60/39/608096039.db2.gz XULNGMPNLUUETO-UHFFFAOYSA-N 0 2 363.721 0.337 20 5 FCBDLN O=C(NC[C@H]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)c1ncn[nH]1 ZINC000959760539 674591483 /nfs/dbraw/zinc/59/14/83/674591483.db2.gz NBLSLIZELXDFBS-DDHJBXDOSA-N 0 2 350.379 0.122 20 5 FCBDLN O=C(NC[C@H]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)c1nc[nH]n1 ZINC000959760539 674591486 /nfs/dbraw/zinc/59/14/86/674591486.db2.gz NBLSLIZELXDFBS-DDHJBXDOSA-N 0 2 350.379 0.122 20 5 FCBDLN O=C(c1cc(C(F)F)[nH]n1)N1CCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000941012980 666573850 /nfs/dbraw/zinc/57/38/50/666573850.db2.gz VRDJBYXOLLWRRR-LDYMZIIASA-N 0 2 357.317 0.687 20 5 FCBDLN O=C(N[C@H]1C[C@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)c1n[nH]c2ccccc21 ZINC000979748280 1186114399 /nfs/dbraw/zinc/11/43/99/1186114399.db2.gz UEPNOUJEAHCYFG-BGOOENEXSA-N 0 2 357.370 0.853 20 5 FCBDLN O=C(c1ccc2[nH]nnc2c1)N1[C@@H]2CC[C@H]1CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C2 ZINC000969011506 1212225672 /nfs/dbraw/zinc/22/56/72/1212225672.db2.gz GSZFVVUMZHFVIB-NWJSVONSSA-N 0 2 370.369 0.439 20 5 FCBDLN O=C(N[C@@H]1[C@H]2CN(C(=O)c3cccc4n[nH]cc43)C[C@H]21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000976477646 1248224522 /nfs/dbraw/zinc/22/45/22/1248224522.db2.gz OABIDACAFWXWBH-DJOIZQNCSA-N 0 2 355.354 0.415 20 5 FCBDLN O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC2(CN(Cc3n[nH]c(C4CC4)n3)C2)CC1 ZINC001035704588 1254057564 /nfs/dbraw/zinc/05/75/64/1254057564.db2.gz RUQMQZJFMZWAHF-CHWSQXEVSA-N 0 2 360.418 0.772 20 5 FCBDLN Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H](c2c[nH]nn2)c2ccccc2)n1 ZINC001577658974 1274670585 /nfs/dbraw/zinc/67/05/85/1274670585.db2.gz VTCACGBFGVOXHF-LBPRGKRZSA-N 0 2 363.359 0.514 20 5 FCBDLN Cc1ccn(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)c(=O)c1-c1nn[nH]n1 ZINC001592265437 1285207619 /nfs/dbraw/zinc/20/76/19/1285207619.db2.gz YWGZAFRRXJBWCP-UHFFFAOYSA-N 0 2 369.341 0.908 20 5 FCBDLN COC(=O)C[C@@H](OC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C(=O)[O-] ZINC001606475767 1288337014 /nfs/dbraw/zinc/33/70/14/1288337014.db2.gz NAZMNCKSEDTHNO-GFCCVEGCSA-N 0 2 363.282 0.954 20 5 FCBDLN O=c1c(-c2nn[nH]n2)cccn1CN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC001609604208 1289259891 /nfs/dbraw/zinc/25/98/91/1289259891.db2.gz YYIIXXLGRREPLA-UHFFFAOYSA-N 0 2 371.361 0.428 20 5 FCBDLN O=c1[nH]nc(C2CCN(c3ccc(-c4nn[nH]n4)c([N+](=O)[O-])c3)CC2)[nH]1 ZINC001609605363 1289260609 /nfs/dbraw/zinc/26/06/09/1289260609.db2.gz XHGCNZCIWREFLW-UHFFFAOYSA-N 0 2 357.334 0.983 20 5 FCBDLN