smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H](C)C(=O)NCCN(C)C ZINC000588873640 376397431 /nfs/dbraw/zinc/39/74/31/376397431.db2.gz OCMBFVDMPHKDPQ-JTQLQIEISA-N 0 3 340.384 -0.328 20 5 EBBDHN CC[C@H](CNS(C)(=O)=O)NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000570794724 377282084 /nfs/dbraw/zinc/28/20/84/377282084.db2.gz FVYJDXMZHDPGDZ-MWLCHTKSSA-N 0 3 335.386 -0.930 20 5 EBBDHN N[C@@H]1C[C@@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CCN2C1=O ZINC000563441566 377436390 /nfs/dbraw/zinc/43/63/90/377436390.db2.gz MFGPARQGHPRFNR-ZYHUDNBSSA-N 0 3 340.361 -0.473 20 5 EBBDHN C[C@H](NC(=O)C(=O)N1CCN(C)C[C@@H]1CN)c1cccc([N+](=O)[O-])c1 ZINC000563522901 377439433 /nfs/dbraw/zinc/43/94/33/377439433.db2.gz UZIBSODGRMHYHX-FZMZJTMJSA-N 0 3 349.391 -0.127 20 5 EBBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC[C@H](N3CCOCC3)C2)c1 ZINC000566425557 377531308 /nfs/dbraw/zinc/53/13/08/377531308.db2.gz FBXSHMAHKCPAHA-DZGCQCFKSA-N 0 3 339.396 -0.051 20 5 EBBDHN C[C@H]([NH3+])CNC(=O)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000591352611 377708963 /nfs/dbraw/zinc/70/89/63/377708963.db2.gz MKYCNWQVTPEKFU-VIFPVBQESA-N 0 3 345.381 -0.481 20 5 EBBDHN NC(=O)Cc1ccc(CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000591767630 377754946 /nfs/dbraw/zinc/75/49/46/377754946.db2.gz DWUFWRDQYPMSHH-CQSZACIVSA-N 0 3 333.348 -0.030 20 5 EBBDHN COC(=O)[C@@H]1C[C@H](O)CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000592195982 377801835 /nfs/dbraw/zinc/80/18/35/377801835.db2.gz IVOAOFFGNFJJNG-ADEWGFFLSA-N 0 3 328.325 -0.992 20 5 EBBDHN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCN(C)C[C@H]1CN ZINC000592477184 377838327 /nfs/dbraw/zinc/83/83/27/377838327.db2.gz SDOSQEGUCANOJM-BXUZGUMPSA-N 0 3 349.391 -0.186 20 5 EBBDHN Cc1nn(C)c(C(=O)N2CN(CCN(C)C)C(=O)[C@H]2C)c1[N+](=O)[O-] ZINC000592877991 377857282 /nfs/dbraw/zinc/85/72/82/377857282.db2.gz BSVWNVDVROWPQW-SNVBAGLBSA-N 0 3 338.368 -0.171 20 5 EBBDHN NC(=O)C1(NC[C@@H](O)COc2ccccc2[N+](=O)[O-])CCOCC1 ZINC000595728125 378026052 /nfs/dbraw/zinc/02/60/52/378026052.db2.gz JNDOJTJYSFZVBM-LLVKDONJSA-N 0 3 339.348 -0.041 20 5 EBBDHN O=C1CN(CCNC[C@H](O)COc2ccccc2[N+](=O)[O-])CCN1 ZINC000567711537 378187270 /nfs/dbraw/zinc/18/72/70/378187270.db2.gz GHWAVAACGALYEU-LBPRGKRZSA-N 0 3 338.364 -0.644 20 5 EBBDHN COc1cc(CCNc2nc(N)nc(N)n2)c([N+](=O)[O-])cc1OC ZINC000599018534 378195702 /nfs/dbraw/zinc/19/57/02/378195702.db2.gz XWJSZSBEWZFFFY-UHFFFAOYSA-N 0 3 335.324 -0.301 20 5 EBBDHN O=C(CNC(=O)Nc1cccc([N+](=O)[O-])c1)NC[C@H]1CNCCO1 ZINC000598667574 378179480 /nfs/dbraw/zinc/17/94/80/378179480.db2.gz GAMAJCCHOXVDQI-GFCCVEGCSA-N 0 3 337.336 -0.179 20 5 EBBDHN N[C@@H]1C[C@@H]2CN(C(=O)c3cc4c(cc3[N+](=O)[O-])OCO4)CCN2C1=O ZINC000568654414 378406591 /nfs/dbraw/zinc/40/65/91/378406591.db2.gz PYIURLKGITYPCQ-PSASIEDQSA-N 0 3 348.315 -0.293 20 5 EBBDHN CNC(=O)c1ccc(N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000571418642 378550500 /nfs/dbraw/zinc/55/05/00/378550500.db2.gz XGFGODOUDYCOSH-QWRGUYRKSA-N 0 3 333.348 -0.297 20 5 EBBDHN CN1CCN(C(=O)C(=O)NCc2cccc([N+](=O)[O-])c2)[C@@H](CN)C1 ZINC000563619833 379056854 /nfs/dbraw/zinc/05/68/54/379056854.db2.gz ZYGONCGFJSYHIM-ZDUSSCGKSA-N 0 3 335.364 -0.688 20 5 EBBDHN O=C(NC[C@H]1CNCCO1)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000420205115 379350554 /nfs/dbraw/zinc/35/05/54/379350554.db2.gz RLEDBKPCTVWOFR-CQSZACIVSA-N 0 3 348.359 -0.416 20 5 EBBDHN C[C@H]1CN(CC(C)(C)O)CCN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000249397111 379357250 /nfs/dbraw/zinc/35/72/50/379357250.db2.gz RVDSFHAQAPHKDX-GXTWGEPZSA-N 0 3 341.412 -0.071 20 5 EBBDHN C[C@@H]1[C@H](N2CCOCC2)CCN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000351982129 379651209 /nfs/dbraw/zinc/65/12/09/379651209.db2.gz MXPJFKMDKWLNQM-VHDGCEQUSA-N 0 3 339.396 -0.053 20 5 EBBDHN NC(=O)c1ccc(CN2CCN3C(=O)[C@H](N)C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000581321525 381070420 /nfs/dbraw/zinc/07/04/20/381070420.db2.gz OBTOLYVWOOBWCP-VXGBXAGGSA-N 0 3 333.348 -0.563 20 5 EBBDHN N[C@H]1C[C@@H]2CN(C(=O)CNc3ccccc3[N+](=O)[O-])CCN2C1=O ZINC000582976372 381091059 /nfs/dbraw/zinc/09/10/59/381091059.db2.gz WXTJBQOTOOZKJB-MNOVXSKESA-N 0 3 333.348 -0.223 20 5 EBBDHN CN1CCN(C(=O)C(=O)NCCc2ccc([N+](=O)[O-])cc2)[C@@H](CN)C1 ZINC000581874429 381103656 /nfs/dbraw/zinc/10/36/56/381103656.db2.gz QKPWXKDKARFEEW-AWEZNQCLSA-N 0 3 349.391 -0.645 20 5 EBBDHN CCN(CC)CC(=O)N1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000152378662 381114278 /nfs/dbraw/zinc/11/42/78/381114278.db2.gz YQPUPYNMFMVROT-UHFFFAOYSA-N 0 3 338.368 -0.056 20 5 EBBDHN O=C(NCCn1cc([N+](=O)[O-])cn1)NC[C@@H]1CCCN1CCCO ZINC000458573006 381294431 /nfs/dbraw/zinc/29/44/31/381294431.db2.gz RPUOLSHZOXMJPY-LBPRGKRZSA-N 0 3 340.384 -0.063 20 5 EBBDHN O=C(NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])[C@@H]1CCC[NH2+]1 ZINC000261724521 154198063 /nfs/dbraw/zinc/19/80/63/154198063.db2.gz NTMVKZLSEHSNRG-JTQLQIEISA-N 0 3 342.377 -0.259 20 5 EBBDHN C[C@@H]([NH3+])[C@H](C)C(=O)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000262529671 154236278 /nfs/dbraw/zinc/23/62/78/154236278.db2.gz MWYQKXJAOFZSTC-VHSXEESVSA-N 0 3 344.393 -0.027 20 5 EBBDHN C[NH2+]C[C@H](C)C(=O)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000262617314 154239796 /nfs/dbraw/zinc/23/97/96/154239796.db2.gz DVOREMYNBOODRS-JTQLQIEISA-N 0 3 344.393 -0.155 20 5 EBBDHN O=C(NC[C@@H]1CNCCO1)C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000516264434 419090803 /nfs/dbraw/zinc/09/08/03/419090803.db2.gz PEARPOCLJVSMBF-LBPRGKRZSA-N 0 3 348.359 -0.416 20 5 EBBDHN CN(C)S(=O)(=O)CCNC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000517025870 419091452 /nfs/dbraw/zinc/09/14/52/419091452.db2.gz PXQNVFPIYJOCTQ-NSHDSACASA-N 0 3 347.393 -0.185 20 5 EBBDHN COC(=O)c1cc(C)nc(N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c1[N+](=O)[O-] ZINC000520610845 419802898 /nfs/dbraw/zinc/80/28/98/419802898.db2.gz AWAKYNGZZDGLPI-MWLCHTKSSA-N 0 3 349.347 -0.167 20 5 EBBDHN O=C(C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])N[C@@H]1CCC[NH2+]C1 ZINC000422728172 420921070 /nfs/dbraw/zinc/92/10/70/420921070.db2.gz IUNPMWHRJJDJAL-SNVBAGLBSA-N 0 3 342.377 -0.259 20 5 EBBDHN C[C@H](C[NH3+])NC(=O)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000417677003 264816255 /nfs/dbraw/zinc/81/62/55/264816255.db2.gz GXTRFYCKCSDFRU-SECBINFHSA-N 0 3 345.381 -0.481 20 5 EBBDHN [NH3+][C@@H](CNC(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000423476575 265006865 /nfs/dbraw/zinc/00/68/65/265006865.db2.gz KNNVOJKUVSDCSN-JTQLQIEISA-N 0 3 342.377 -0.273 20 5 EBBDHN C[C@H](NC(=O)C(=O)N1CCN(C)C[C@H]1CN)c1ccccc1[N+](=O)[O-] ZINC000516856914 272888972 /nfs/dbraw/zinc/88/89/72/272888972.db2.gz LABKHXKJJYEWQR-NWDGAFQWSA-N 0 3 349.391 -0.127 20 5 EBBDHN NC[C@@H]1CC(C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)=NO1 ZINC000852812091 584216397 /nfs/dbraw/zinc/21/63/97/584216397.db2.gz NYZJKOCZWHAPJV-NSHDSACASA-N 0 3 334.336 -0.258 20 5 EBBDHN Cc1cc(C(=O)N2CCOC3(CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C3)C2)n[nH]1 ZINC000965326748 724179716 /nfs/dbraw/zinc/17/97/16/724179716.db2.gz DQXDIPMCXPRMKI-ZYHUDNBSSA-N 0 3 349.347 -0.563 20 5 EBBDHN O=C(CCc1nnc[nH]1)NCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1 ZINC001062772660 738985290 /nfs/dbraw/zinc/98/52/90/738985290.db2.gz XMWHJQQGJJTORT-NXEZZACHSA-N 0 3 336.352 -0.442 20 5 EBBDHN O=C(CN1CCCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1)N1CCC1 ZINC000981764981 806271301 /nfs/dbraw/zinc/27/13/01/806271301.db2.gz LYNUGYONCIHWMY-CHWSQXEVSA-N 0 3 336.392 -0.192 20 5 EBBDHN CC(COC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1)[N+](=O)[O-] ZINC001263475413 813113415 /nfs/dbraw/zinc/11/34/15/813113415.db2.gz HXJQCNPQZSGIDN-DTWKUNHWSA-N 0 3 347.349 -0.640 20 5 EBBDHN O=C(NC1(CNCc2nncs2)CCOCC1)[C@@H]1CC1[N+](=O)[O-] ZINC001273969608 816826032 /nfs/dbraw/zinc/82/60/32/816826032.db2.gz VKNXOZLEKXSWPR-NXEZZACHSA-N 0 3 341.393 -0.042 20 5 EBBDHN C[NH+](C)CCC(=O)N(CCO)CCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001111553902 825201587 /nfs/dbraw/zinc/20/15/87/825201587.db2.gz YOVSFRZLXHZQJQ-UHFFFAOYSA-N 0 3 341.368 -0.120 20 5 EBBDHN Cn1cnn(CCC(=O)NCCNCc2cccc([N+](=O)[O-])c2)c1=O ZINC001131763011 829205675 /nfs/dbraw/zinc/20/56/75/829205675.db2.gz NGAHBDDORSAESU-UHFFFAOYSA-N 0 3 348.363 -0.214 20 5 EBBDHN CN(C)S(=O)(=O)CC(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001149427940 830663169 /nfs/dbraw/zinc/66/31/69/830663169.db2.gz SSHSSOAWSOJNSB-UHFFFAOYSA-N 0 3 344.393 -0.308 20 5 EBBDHN NC(=O)Cn1cc(C(=O)NCCNCc2cccc([N+](=O)[O-])c2)nn1 ZINC001152409158 831159585 /nfs/dbraw/zinc/15/95/85/831159585.db2.gz BTCYAACIUSDZOK-UHFFFAOYSA-N 0 3 347.335 -0.809 20 5 EBBDHN Cn1cc(CC(=O)NCCCNCc2c([N+](=O)[O-])ncn2C)cn1 ZINC001155557034 831412538 /nfs/dbraw/zinc/41/25/38/831412538.db2.gz DAHZXUPHVTZPNS-UHFFFAOYSA-N 0 3 335.368 -0.100 20 5 EBBDHN CN(CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1N)CCOCCO ZINC001175823717 832646648 /nfs/dbraw/zinc/64/66/48/832646648.db2.gz YIKRZGBOQVIPCG-UHFFFAOYSA-N 0 3 344.343 -0.013 20 5 EBBDHN NS(=O)(=O)c1cccc(N2CC(N[C@@H]3CCOC3)C2)c1[N+](=O)[O-] ZINC001187740080 833963002 /nfs/dbraw/zinc/96/30/02/833963002.db2.gz WTXIIXKAPHJRFS-SECBINFHSA-N 0 3 342.377 -0.191 20 5 EBBDHN Cn1cc(C(=O)N(CCO)CCNCc2ccc([N+](=O)[O-])cc2)nn1 ZINC001326020495 840004532 /nfs/dbraw/zinc/00/45/32/840004532.db2.gz CBHFJHXFYHYAAL-UHFFFAOYSA-N 0 3 348.363 -0.052 20 5 EBBDHN O=C(c1nc[nH]n1)N(CCO)CCNCc1cccc([N+](=O)[O-])c1 ZINC001326107585 840035134 /nfs/dbraw/zinc/03/51/34/840035134.db2.gz NSLHENTVKBXPLM-UHFFFAOYSA-N 0 3 334.336 -0.063 20 5 EBBDHN O=C1NC(=O)[C@@H]2CN([C@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)C[C@H]12 ZINC000451638393 376604601 /nfs/dbraw/zinc/60/46/01/376604601.db2.gz ZHZBAUXKELYSJF-XQQFMLRXSA-N 0 3 344.327 -0.096 20 5 EBBDHN Cn1cc(N2CC[C@H](NC[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2=O)cn1 ZINC000562996415 377069513 /nfs/dbraw/zinc/06/95/13/377069513.db2.gz PWLSOMICFVNPQW-STQMWFEESA-N 0 3 349.351 -0.719 20 5 EBBDHN CC1(C)CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCN1CCO ZINC000614920067 377165176 /nfs/dbraw/zinc/16/51/76/377165176.db2.gz CQIUZPMUAAJBOV-ZDUSSCGKSA-N 0 3 327.385 -0.459 20 5 EBBDHN O=C1CNC(=O)N1CCNC[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000570795491 377281117 /nfs/dbraw/zinc/28/11/17/377281117.db2.gz VNOVYKGEDZJGOQ-LLVKDONJSA-N 0 3 338.320 -0.524 20 5 EBBDHN CN(C)C[C@H](CO)NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000590369415 377479852 /nfs/dbraw/zinc/47/98/52/377479852.db2.gz FNTTZXLPVZHQNM-GFCCVEGCSA-N 0 3 338.364 -0.247 20 5 EBBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC[C@H](N3CCOCC3)C2)c1 ZINC000566425562 377531466 /nfs/dbraw/zinc/53/14/66/377531466.db2.gz FBXSHMAHKCPAHA-ZFWWWQNUSA-N 0 3 339.396 -0.051 20 5 EBBDHN O=[N+]([O-])c1cnn(C[C@H](O)CNC[C@H]2CCCCS2(=O)=O)c1 ZINC000566674215 377600525 /nfs/dbraw/zinc/60/05/25/377600525.db2.gz FNDIDEIZUQDZEB-VXGBXAGGSA-N 0 3 332.382 -0.291 20 5 EBBDHN O=C(CNC[C@@H](O)COc1ccccc1[N+](=O)[O-])N1CCOCC1 ZINC000591758650 377752545 /nfs/dbraw/zinc/75/25/45/377752545.db2.gz GWZKFCIPQDMYIB-GFCCVEGCSA-N 0 3 339.348 -0.217 20 5 EBBDHN CN(C)CCN1CCN(C(=O)Nc2ccncc2[N+](=O)[O-])CC1=O ZINC000593175451 377875514 /nfs/dbraw/zinc/87/55/14/377875514.db2.gz PQYVBWXZDQWQEZ-UHFFFAOYSA-N 0 3 336.352 -0.351 20 5 EBBDHN N[C@H]1C[C@@H]2CN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CCN2C1=O ZINC000594876031 377965868 /nfs/dbraw/zinc/96/58/68/377965868.db2.gz ZTMGSWYBVFLXQA-PWSUYJOCSA-N 0 3 340.361 -0.473 20 5 EBBDHN O=C(CNC(=O)Nc1cccc([N+](=O)[O-])c1)NC[C@@H]1CNCCO1 ZINC000598667575 378178620 /nfs/dbraw/zinc/17/86/20/378178620.db2.gz GAMAJCCHOXVDQI-LBPRGKRZSA-N 0 3 337.336 -0.179 20 5 EBBDHN CN(C(=O)CN1CCN2C(=O)[C@H](N)C[C@@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000570412255 378509548 /nfs/dbraw/zinc/50/95/48/378509548.db2.gz WYXCQIMHNMPNKT-ZIAGYGMSSA-N 0 3 347.375 -0.199 20 5 EBBDHN N[C@@H]1C[C@H]2CN(C(=O)c3n[nH]c4ccc([N+](=O)[O-])cc43)CCN2C1=O ZINC000571106804 378548816 /nfs/dbraw/zinc/54/88/16/378548816.db2.gz QVMNJIRTOZSVOI-GXSJLCMTSA-N 0 3 344.331 -0.145 20 5 EBBDHN COc1ccc(NC(=O)CCN2C[C@H](O)[C@@H](O)C2)c([N+](=O)[O-])c1 ZINC000278674558 379497597 /nfs/dbraw/zinc/49/75/97/379497597.db2.gz IJSGQCGBDWEFKQ-STQMWFEESA-N 0 3 325.321 -0.031 20 5 EBBDHN CC[C@@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C(=O)N1CCOCC1 ZINC000574270644 379454504 /nfs/dbraw/zinc/45/45/04/379454504.db2.gz GFBFZGFGDULNPR-CHWSQXEVSA-N 0 3 341.368 -0.621 20 5 EBBDHN Cc1ncc([N+](=O)[O-])n1CCN(C)C[C@@H](O)CN1CCOCC1 ZINC000602778243 379681028 /nfs/dbraw/zinc/68/10/28/379681028.db2.gz GWFJTKPUEMFWDA-CYBMUJFWSA-N 0 3 327.385 -0.275 20 5 EBBDHN CN(C)CCN(C[C@H]1CCCO1)C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000355338295 379718235 /nfs/dbraw/zinc/71/82/35/379718235.db2.gz RMIQTVUKRXNUSY-LLVKDONJSA-N 0 3 326.357 -0.245 20 5 EBBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H](C)C(=O)NCCN(C)C ZINC000579397486 380986912 /nfs/dbraw/zinc/98/69/12/380986912.db2.gz SGCJVABXFXKVGC-SECBINFHSA-N 0 3 326.357 -0.718 20 5 EBBDHN N[C@H]1C[C@H]2CN(C(=O)CNc3ccccc3[N+](=O)[O-])CCN2C1=O ZINC000582976373 381090751 /nfs/dbraw/zinc/09/07/51/381090751.db2.gz WXTJBQOTOOZKJB-QWRGUYRKSA-N 0 3 333.348 -0.223 20 5 EBBDHN CN1CCC[C@@H]1C(=O)N1CCN(c2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000151623087 381464002 /nfs/dbraw/zinc/46/40/02/381464002.db2.gz DLRNJPAECHUMDN-SNVBAGLBSA-N 0 3 335.368 -0.290 20 5 EBBDHN C[C@@H](N)C(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000261877710 154203687 /nfs/dbraw/zinc/20/36/87/154203687.db2.gz RIZKOCYPIIUELT-SNVBAGLBSA-N 0 3 342.377 -0.225 20 5 EBBDHN C[C@H](CC(N)=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000267284637 154369971 /nfs/dbraw/zinc/36/99/71/154369971.db2.gz WFGNXGOKWMGNFJ-SECBINFHSA-N 0 3 330.366 -0.273 20 5 EBBDHN COc1cccc(C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)c1[N+](=O)[O-] ZINC000516089614 419088891 /nfs/dbraw/zinc/08/88/91/419088891.db2.gz UTNJWNRNHFUDID-GXSJLCMTSA-N 0 3 334.332 -0.013 20 5 EBBDHN C[C@@H]1CN(C[C@H](O)CNCCn2cc([N+](=O)[O-])cn2)C[C@H](C)O1 ZINC000516965829 419089955 /nfs/dbraw/zinc/08/99/55/419089955.db2.gz NUYDAOHYSXILPZ-MBNYWOFBSA-N 0 3 327.385 -0.149 20 5 EBBDHN C[C@H](NC(=O)C(=O)N1CCN(C)C[C@@H]1CN)c1ccccc1[N+](=O)[O-] ZINC000516856916 419090474 /nfs/dbraw/zinc/09/04/74/419090474.db2.gz LABKHXKJJYEWQR-RYUDHWBXSA-N 0 3 349.391 -0.127 20 5 EBBDHN Nc1c(C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cc(F)cc1[N+](=O)[O-] ZINC000516982166 419091601 /nfs/dbraw/zinc/09/16/01/419091601.db2.gz WNOGBKRXDLVZEX-WCBMZHEXSA-N 0 3 337.311 -0.300 20 5 EBBDHN C[C@@H](CO)N1CCCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000346613253 419724479 /nfs/dbraw/zinc/72/44/79/419724479.db2.gz GYHFOIWEMHTXIS-JSGCOSHPSA-N 0 3 327.385 -0.459 20 5 EBBDHN COC(=O)c1cc(C)nc(N2CCN3C(=O)[C@H](N)C[C@H]3C2)c1[N+](=O)[O-] ZINC000520610843 419802778 /nfs/dbraw/zinc/80/27/78/419802778.db2.gz AWAKYNGZZDGLPI-GXSJLCMTSA-N 0 3 349.347 -0.167 20 5 EBBDHN C[C@H](CN)NC(=O)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000420016406 420908155 /nfs/dbraw/zinc/90/81/55/420908155.db2.gz SLSBSNLJQYBVES-LLVKDONJSA-N 0 3 335.364 -0.293 20 5 EBBDHN CNc1nccc(C(=O)NC[C@@](C)(O)CCN(C)C)c1[N+](=O)[O-] ZINC000577231498 421220948 /nfs/dbraw/zinc/22/09/48/421220948.db2.gz LZLIWQJAJGNMCV-AWEZNQCLSA-N 0 3 325.369 0.464 20 5 EBBDHN O=C([C@H]1CCCN(CCn2cc([N+](=O)[O-])cn2)C1)N1CCNCC1 ZINC000430613410 265150232 /nfs/dbraw/zinc/15/02/32/265150232.db2.gz WLQJRHNPGQXYTO-ZDUSSCGKSA-N 0 3 336.396 -0.065 20 5 EBBDHN CC1(C)OCC(CO)(NC[C@H](O)Cn2cc([N+](=O)[O-])cn2)CO1 ZINC000788000831 583526272 /nfs/dbraw/zinc/52/62/72/583526272.db2.gz VQRGROZJWLALNI-NSHDSACASA-N 0 3 330.341 -0.744 20 5 EBBDHN Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)OCC(C)[N+](=O)[O-] ZINC000813102794 583698044 /nfs/dbraw/zinc/69/80/44/583698044.db2.gz VTAXGCQZFBBHOC-APPZFPTMSA-N 0 3 348.381 -0.088 20 5 EBBDHN O=C1O[C@H](CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)CN1C1CC1 ZINC000848679454 584160374 /nfs/dbraw/zinc/16/03/74/584160374.db2.gz VVPPSBOUYZLNQH-NWDGAFQWSA-N 0 3 325.325 -0.275 20 5 EBBDHN Cc1c(C(=O)NOCCN(C)C)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000854945114 584253723 /nfs/dbraw/zinc/25/37/23/584253723.db2.gz BLJBYVZALGCBRS-UHFFFAOYSA-N 0 3 346.365 -0.226 20 5 EBBDHN Cn1cnc([N+](=O)[O-])c1CNC1(C)CCN(C(=O)CC(N)=O)CC1 ZINC000940018977 653074237 /nfs/dbraw/zinc/07/42/37/653074237.db2.gz XVCLAGLKDMCWPK-UHFFFAOYSA-N 0 3 338.368 -0.326 20 5 EBBDHN CN(C(=O)c1cncc2nc[nH]c21)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000954470950 719735801 /nfs/dbraw/zinc/73/58/01/719735801.db2.gz WOHNFZVSEVKUDO-BXKDBHETSA-N 0 3 344.331 -0.094 20 5 EBBDHN O=C(CN1CCCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1)NC1CC1 ZINC000981764771 806270210 /nfs/dbraw/zinc/27/02/10/806270210.db2.gz CGTJVPDWGVUJOZ-CHWSQXEVSA-N 0 3 336.392 -0.145 20 5 EBBDHN CCN(C(=O)Cn1cncc1C)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001080106400 811901312 /nfs/dbraw/zinc/90/13/12/811901312.db2.gz KPNRZVDULGGTRW-CHWSQXEVSA-N 0 3 335.364 -0.084 20 5 EBBDHN CCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])CCN1CCCS1(=O)=O ZINC001267241476 813799417 /nfs/dbraw/zinc/79/94/17/813799417.db2.gz YUBWMQNOQHZOHR-VXGBXAGGSA-N 0 3 348.425 -0.875 20 5 EBBDHN Cc1nccn1CCCC(=O)NC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001297096522 821320746 /nfs/dbraw/zinc/32/07/46/821320746.db2.gz FSWOJNIDFGGGET-CHWSQXEVSA-N 0 3 335.364 -0.036 20 5 EBBDHN CC(C)N1C(=O)C[C@H](NC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1=O ZINC001120469274 827229135 /nfs/dbraw/zinc/22/91/35/827229135.db2.gz RUHOJNCZIOOROX-MNOVXSKESA-N 0 3 325.325 -0.722 20 5 EBBDHN CN1CCN(CC(=O)NCCNCc2cccc([N+](=O)[O-])c2)CC1=O ZINC001130551469 828878960 /nfs/dbraw/zinc/87/89/60/828878960.db2.gz UHMRAYBKOVPATB-UHFFFAOYSA-N 0 3 349.391 -0.425 20 5 EBBDHN CN(C)C(=O)CC(=O)NCCCNCc1c([N+](=O)[O-])ncn1C ZINC001167803535 832375341 /nfs/dbraw/zinc/37/53/41/832375341.db2.gz XUXVGXIMDYFFKR-UHFFFAOYSA-N 0 3 326.357 -0.598 20 5 EBBDHN CCn1cc(C(=O)NCCCNCc2c([N+](=O)[O-])ncn2C)nn1 ZINC001169586264 832470434 /nfs/dbraw/zinc/47/04/34/832470434.db2.gz UQNZFIVMFMGBQW-UHFFFAOYSA-N 0 3 336.356 -0.151 20 5 EBBDHN C[C@@H]1CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H](C)CN1CCO ZINC001195279074 835208598 /nfs/dbraw/zinc/20/85/98/835208598.db2.gz MMKIFHGIBYCDOU-YRGRVCCFSA-N 0 3 327.385 -0.461 20 5 EBBDHN CN(C)CCn1cc(NC(=O)Cn2cnc([N+](=O)[O-])n2)ccc1=O ZINC001319600379 838156562 /nfs/dbraw/zinc/15/65/62/838156562.db2.gz UJFYBCZMGANVND-UHFFFAOYSA-N 0 3 335.324 -0.452 20 5 EBBDHN CC(C)N(CCN(C)C)C(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC001325568944 839891854 /nfs/dbraw/zinc/89/18/54/839891854.db2.gz GRKGXEHRLNJHAJ-UHFFFAOYSA-N 0 3 340.384 -0.294 20 5 EBBDHN NC(=O)[C@@H]1CCCN1C1CCN(C(=O)c2c[nH]nc2[N+](=O)[O-])CC1 ZINC001340016214 842963731 /nfs/dbraw/zinc/96/37/31/842963731.db2.gz MFBSVDWESYLLFN-NSHDSACASA-N 0 3 336.352 -0.128 20 5 EBBDHN CC(C)N(C)CC(=O)N1CCN(c2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC001093157455 1128298164 /nfs/dbraw/zinc/29/81/64/1128298164.db2.gz GJGKOZSCBYDRQF-UHFFFAOYSA-N 0 3 337.384 -0.044 20 5 EBBDHN Cc1nccn1CC(=O)N(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1 ZINC001356614679 1130884990 /nfs/dbraw/zinc/88/49/90/1130884990.db2.gz WDGIBVGOOGIZHT-CHWSQXEVSA-N 0 3 335.364 -0.036 20 5 EBBDHN COCCN(C)C[C@H](O)Cn1cc([N+](=O)[O-])cc(C(=O)OC)c1=O ZINC000577527732 375874573 /nfs/dbraw/zinc/87/45/73/375874573.db2.gz ASFHZQZBFOJZJN-NSHDSACASA-N 0 3 343.336 -0.518 20 5 EBBDHN COCCN1CCC[C@H](NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000609269562 375975659 /nfs/dbraw/zinc/97/56/59/375975659.db2.gz UBYHUMCDHDMGRL-LBPRGKRZSA-N 0 3 338.364 -0.017 20 5 EBBDHN CCN1CC[C@H]2OCCN(C[C@H](O)Cn3cc([N+](=O)[O-])cn3)[C@H]2C1 ZINC000550225708 376540054 /nfs/dbraw/zinc/54/00/54/376540054.db2.gz MFYNYCXZMMOIBH-SOUVJXGZSA-N 0 3 339.396 -0.053 20 5 EBBDHN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@@H](CO)CN(C)C ZINC000590369794 377479208 /nfs/dbraw/zinc/47/92/08/377479208.db2.gz NLWVCGXYHSIBHK-GHMZBOCLSA-N 0 3 342.400 -0.134 20 5 EBBDHN CS(=O)(=O)c1cc(C(=O)NC[C@@H]2CNCCO2)cc([N+](=O)[O-])c1 ZINC000591687464 377749124 /nfs/dbraw/zinc/74/91/24/377749124.db2.gz JSLQQISUPBXHBV-NSHDSACASA-N 0 3 343.361 -0.284 20 5 EBBDHN CN(C)CCN1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1=O ZINC000593049476 377868211 /nfs/dbraw/zinc/86/82/11/377868211.db2.gz AICLBNUBCCUMPT-UHFFFAOYSA-N 0 3 349.391 -0.101 20 5 EBBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000593235778 377877707 /nfs/dbraw/zinc/87/77/07/377877707.db2.gz YWOZXFYIHCOPMF-UHFFFAOYSA-N 0 3 338.368 -0.668 20 5 EBBDHN CN(C)CCN1CCN(c2cc(N)c([N+](=O)[O-])c(CO)c2)CC1=O ZINC000593485993 377889170 /nfs/dbraw/zinc/88/91/70/377889170.db2.gz FWNSWSJQHXDNTJ-UHFFFAOYSA-N 0 3 337.380 -0.121 20 5 EBBDHN CC[C@H]([NH2+]C)C(=O)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000595924430 378035296 /nfs/dbraw/zinc/03/52/96/378035296.db2.gz JQPXGMQXOWGJRI-JTQLQIEISA-N 0 3 344.393 -0.013 20 5 EBBDHN CN(C)CCN(CC(=O)N(C)C)c1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000596461278 378060436 /nfs/dbraw/zinc/06/04/36/378060436.db2.gz DSRLZVIARWHMQX-UHFFFAOYSA-N 0 3 338.368 -0.455 20 5 EBBDHN CN(C)C[C@@H](CO)NC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598902056 378187330 /nfs/dbraw/zinc/18/73/30/378187330.db2.gz CXEUVBHVOMBFDC-NSHDSACASA-N 0 3 339.352 -0.245 20 5 EBBDHN CN(C)CCN(CC(=O)N(C)C)C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000598184601 378158663 /nfs/dbraw/zinc/15/86/63/378158663.db2.gz FFIYPQJVPHWYFT-UHFFFAOYSA-N 0 3 326.357 -0.730 20 5 EBBDHN Cc1cc(C(=O)NCC(=O)N2CCN(C)C[C@@H]2CN)ccc1[N+](=O)[O-] ZINC000570716387 378513366 /nfs/dbraw/zinc/51/33/66/378513366.db2.gz IOABPXQEGIXJDP-ZDUSSCGKSA-N 0 3 349.391 -0.266 20 5 EBBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000571179953 378549280 /nfs/dbraw/zinc/54/92/80/378549280.db2.gz ZIENDJWDHJZQKZ-PWSUYJOCSA-N 0 3 334.332 -0.013 20 5 EBBDHN O=C1CN(CCNC[C@H](O)COc2cccc([N+](=O)[O-])c2)CCN1 ZINC000571517146 378552952 /nfs/dbraw/zinc/55/29/52/378552952.db2.gz GYYIDYDDBBJNRF-ZDUSSCGKSA-N 0 3 338.364 -0.644 20 5 EBBDHN CN1CCN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)[C@H](CN)C1 ZINC000571796547 378557863 /nfs/dbraw/zinc/55/78/63/378557863.db2.gz BBLNRSIUWVFOPA-CQSZACIVSA-N 0 3 349.391 -0.184 20 5 EBBDHN CS(=O)(=O)N1CCC[C@@H](NC[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000400167695 379185984 /nfs/dbraw/zinc/18/59/84/379185984.db2.gz ZEKNWKCOJVXTBE-PWSUYJOCSA-N 0 3 347.397 -0.834 20 5 EBBDHN COc1cc(S(=O)(=O)NC[C@@H]2CNCCO2)ccc1[N+](=O)[O-] ZINC000420481486 379354094 /nfs/dbraw/zinc/35/40/94/379354094.db2.gz RDTJHPZYJSFEKL-VIFPVBQESA-N 0 3 331.350 -0.130 20 5 EBBDHN CN(CCn1cc([N+](=O)[O-])ccc1=O)C[C@H](O)CN1CCOCC1 ZINC000090552025 379837770 /nfs/dbraw/zinc/83/77/70/379837770.db2.gz QGWBVSPEEXANQJ-AWEZNQCLSA-N 0 3 340.380 -0.619 20 5 EBBDHN CC(C)[C@@H](N)C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000269056084 380213144 /nfs/dbraw/zinc/21/31/44/380213144.db2.gz QJXLDVGSKHUCBE-GFCCVEGCSA-N 0 3 344.393 -0.027 20 5 EBBDHN COCCN1CC[C@H](NC(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC000269069901 380213313 /nfs/dbraw/zinc/21/33/13/380213313.db2.gz ZBVZIOBDUPHWJX-NSHDSACASA-N 0 3 326.357 -0.189 20 5 EBBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1nc(N2CCNCC2)n[nH]1 ZINC000581368644 381071404 /nfs/dbraw/zinc/07/14/04/381071404.db2.gz UNCOWHUQMQHRLO-UHFFFAOYSA-N 0 3 349.355 -0.344 20 5 EBBDHN NC(=O)[C@@H]1CC[C@H](CNC[C@@H](O)COc2ccccc2[N+](=O)[O-])O1 ZINC000580828940 381038407 /nfs/dbraw/zinc/03/84/07/381038407.db2.gz RYVSWCAOYWNZBR-GYSYKLTISA-N 0 3 339.348 -0.043 20 5 EBBDHN CNc1nc(C(=O)N[C@@H](C)C(=O)NCCN(C)C)ccc1[N+](=O)[O-] ZINC000584848719 381219138 /nfs/dbraw/zinc/21/91/38/381219138.db2.gz YHOJMZAKCMQXMI-VIFPVBQESA-N 0 3 338.368 -0.172 20 5 EBBDHN CN(C)C[C@@](C)(O)CNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000269831997 381323552 /nfs/dbraw/zinc/32/35/52/381323552.db2.gz AFLZZSGXNRCYIG-HNNXBMFYSA-N 0 3 338.364 -0.247 20 5 EBBDHN N[C@H]1C[C@H]2CN(c3cc4nc[nH]c(=O)c4cc3[N+](=O)[O-])CCN2C1=O ZINC000580465407 381758390 /nfs/dbraw/zinc/75/83/90/381758390.db2.gz HNOYPPMGPXGNJS-WPRPVWTQSA-N 0 3 344.331 -0.008 20 5 EBBDHN CN1CC[C@@](O)(CNC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)C1 ZINC000358069538 157206369 /nfs/dbraw/zinc/20/63/69/157206369.db2.gz TUPFPBBXZAFDSG-OAHLLOKOSA-N 0 3 346.347 -0.028 20 5 EBBDHN N[C@@H]1C[C@@H]2CN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CCN2C1=O ZINC000522014221 420899541 /nfs/dbraw/zinc/89/95/41/420899541.db2.gz LUWLRZCFESGUPF-NXEZZACHSA-N 0 3 340.361 -0.473 20 5 EBBDHN C[C@@H](C[NH3+])N(C)C(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000422827430 420922181 /nfs/dbraw/zinc/92/21/81/420922181.db2.gz DQKAYQSQOALVDH-VIFPVBQESA-N 0 3 330.366 -0.321 20 5 EBBDHN O=C(NC[C@H]1CNCCO1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000423986931 265045040 /nfs/dbraw/zinc/04/50/40/265045040.db2.gz GUTKKGNKMFPKHN-GFCCVEGCSA-N 0 3 332.320 -0.106 20 5 EBBDHN C[C@H](CN1CCOCC1)N(C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000434711689 265212283 /nfs/dbraw/zinc/21/22/83/265212283.db2.gz QSMMGDGPNLDQJD-TZMCWYRMSA-N 0 3 327.385 -0.195 20 5 EBBDHN CC(C)(C)S(=O)(=O)CCNC[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000819061041 583754411 /nfs/dbraw/zinc/75/44/11/583754411.db2.gz NHDZWXUJSGFAFI-NSHDSACASA-N 0 3 334.398 -0.045 20 5 EBBDHN O=[N+]([O-])c1cnc(N2CCC([NH2+]CCO)CC2)c(-c2nnn[n-]2)c1 ZINC000826500946 583906311 /nfs/dbraw/zinc/90/63/11/583906311.db2.gz SLFPEFMTMADZPU-UHFFFAOYSA-N 0 3 334.340 -0.279 20 5 EBBDHN O=[N+]([O-])c1cnc(N2CCC([NH2+]CCO)CC2)c(-c2nn[n-]n2)c1 ZINC000826500946 583906312 /nfs/dbraw/zinc/90/63/12/583906312.db2.gz SLFPEFMTMADZPU-UHFFFAOYSA-N 0 3 334.340 -0.279 20 5 EBBDHN Cc1nccn1CC(=O)N1CCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC001019014176 728773513 /nfs/dbraw/zinc/77/35/13/728773513.db2.gz UXNGYXQJHPOOHX-CHWSQXEVSA-N 0 3 347.375 -0.082 20 5 EBBDHN CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(C(=O)CCc2nnc[nH]2)C1 ZINC000967950507 724938409 /nfs/dbraw/zinc/93/84/09/724938409.db2.gz STURWMNHBZHQQO-GHMZBOCLSA-N 0 3 336.352 -0.538 20 5 EBBDHN O=C(CCc1c[nH]cn1)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000976477937 726323036 /nfs/dbraw/zinc/32/30/36/726323036.db2.gz PTRJMAGQMCVGME-DIACKHNESA-N 0 3 333.348 -0.420 20 5 EBBDHN Cn1cnc(C(=O)N2CCC(NCc3c([N+](=O)[O-])ncn3C)CC2)n1 ZINC000996296828 726361296 /nfs/dbraw/zinc/36/12/96/726361296.db2.gz AYFVTNPUVKELRB-UHFFFAOYSA-N 0 3 348.367 -0.149 20 5 EBBDHN O=C(CN1CCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1)N1CCCC1 ZINC001072721279 741465906 /nfs/dbraw/zinc/46/59/06/741465906.db2.gz LISRHLCIPBIMRG-CHWSQXEVSA-N 0 3 336.392 -0.192 20 5 EBBDHN O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)NC[C@H]1CN2CCC[C@H]2CO1 ZINC001253411376 812679312 /nfs/dbraw/zinc/67/93/12/812679312.db2.gz ICINOUMMEJCRGL-RYUDHWBXSA-N 0 3 336.348 -0.264 20 5 EBBDHN Cc1cc(NC(=O)CNC/C=C/CNC(=O)[C@@H]2CC2[N+](=O)[O-])no1 ZINC001274017736 816842591 /nfs/dbraw/zinc/84/25/91/816842591.db2.gz VOYMGIOZRYKCSP-WUNPDAOYSA-N 0 3 337.336 -0.151 20 5 EBBDHN CCN1CCN(CCCNC(=O)Cn2cnc([N+](=O)[O-])n2)CC1 ZINC001317997664 822243453 /nfs/dbraw/zinc/24/34/53/822243453.db2.gz OJCSRBYPDUPGNZ-UHFFFAOYSA-N 0 3 325.373 -0.670 20 5 EBBDHN COCC(=O)NCCC(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001128686932 828510011 /nfs/dbraw/zinc/51/00/11/828510011.db2.gz ZBXMCEXDKDFDDP-UHFFFAOYSA-N 0 3 338.364 -0.047 20 5 EBBDHN O=C(CN1CCOCC1=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001129546476 828633930 /nfs/dbraw/zinc/63/39/30/828633930.db2.gz KAMOBUWBFODRDF-UHFFFAOYSA-N 0 3 336.348 -0.341 20 5 EBBDHN CNS(=O)(=O)CCC(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001127081939 828249878 /nfs/dbraw/zinc/24/98/78/828249878.db2.gz GWCNOBKVZYVZKH-UHFFFAOYSA-N 0 3 344.393 -0.260 20 5 EBBDHN Cn1cnc([N+](=O)[O-])c1CNCCNC(=O)CCN1CCOCC1 ZINC001135350445 829953112 /nfs/dbraw/zinc/95/31/12/829953112.db2.gz YDXPXGPXIGPGKJ-UHFFFAOYSA-N 0 3 340.384 -0.744 20 5 EBBDHN CCOCCOCC(=O)NCCCNCc1c([N+](=O)[O-])ncn1C ZINC001177034394 832739898 /nfs/dbraw/zinc/73/98/98/832739898.db2.gz WORGYGUTYPSZQJ-UHFFFAOYSA-N 0 3 343.384 -0.023 20 5 EBBDHN Cn1cc(CNCC2(NC(=O)[C@@H]3CC3[N+](=O)[O-])CCOCC2)nn1 ZINC001327634565 840480223 /nfs/dbraw/zinc/48/02/23/840480223.db2.gz HDBWORCPIPBNPL-VXGBXAGGSA-N 0 3 338.368 -0.765 20 5 EBBDHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000285579101 375893649 /nfs/dbraw/zinc/89/36/49/375893649.db2.gz KBTNYJUVKMVSNU-NSHDSACASA-N 0 3 338.368 -0.010 20 5 EBBDHN CN1CC[C@@H]2OCCN(C(=O)Cn3cc([N+](=O)[O-])ccc3=O)[C@H]2C1 ZINC000286017518 375927532 /nfs/dbraw/zinc/92/75/32/375927532.db2.gz ZXIDYPCUMWVPCH-STQMWFEESA-N 0 3 336.348 -0.312 20 5 EBBDHN CN(C)[C@H]1CN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)C[C@@H]1O ZINC000560636022 376088935 /nfs/dbraw/zinc/08/89/35/376088935.db2.gz RPZUKXVRHXGGPE-KBPBESRZSA-N 0 3 346.347 -0.078 20 5 EBBDHN COc1cc(S(=O)(=O)N2CCN(C)C[C@H]2CN)ccc1[N+](=O)[O-] ZINC000563210055 377434976 /nfs/dbraw/zinc/43/49/76/377434976.db2.gz BUSORZULDBSMGJ-SNVBAGLBSA-N 0 3 344.393 -0.133 20 5 EBBDHN C[C@@H](NC(=O)C(=O)N1CCN(C)C[C@@H]1CN)c1cccc([N+](=O)[O-])c1 ZINC000563522902 377439157 /nfs/dbraw/zinc/43/91/57/377439157.db2.gz UZIBSODGRMHYHX-RISCZKNCSA-N 0 3 349.391 -0.127 20 5 EBBDHN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@@H](CO)CN(C)C ZINC000590369797 377479496 /nfs/dbraw/zinc/47/94/96/377479496.db2.gz NLWVCGXYHSIBHK-MNOVXSKESA-N 0 3 342.400 -0.134 20 5 EBBDHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000592247754 377809060 /nfs/dbraw/zinc/80/90/60/377809060.db2.gz SZIWGQSFBUEHDW-SNVBAGLBSA-N 0 3 336.352 -0.005 20 5 EBBDHN CN(CCC[NH3+])C(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000592471514 377837313 /nfs/dbraw/zinc/83/73/13/377837313.db2.gz SPKZRHTVTAZKRP-UHFFFAOYSA-N 0 3 330.366 -0.320 20 5 EBBDHN COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCN(C)C[C@@H]1CN ZINC000592982978 377868008 /nfs/dbraw/zinc/86/80/08/377868008.db2.gz OCBGVEICMLXMPA-JTQLQIEISA-N 0 3 344.393 -0.133 20 5 EBBDHN CN(C)CCN1CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1=O ZINC000593050583 377873149 /nfs/dbraw/zinc/87/31/49/377873149.db2.gz GOZHWOKCWOESND-UHFFFAOYSA-N 0 3 337.380 -0.538 20 5 EBBDHN N[C@@H]1C[C@@H]2CN(C(=O)COc3ccccc3[N+](=O)[O-])CCN2C1=O ZINC000594873628 377968713 /nfs/dbraw/zinc/96/87/13/377968713.db2.gz DJIDUFJZHYGREZ-GHMZBOCLSA-N 0 3 334.332 -0.256 20 5 EBBDHN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCOC2(CNC2)C1 ZINC000596581415 378065244 /nfs/dbraw/zinc/06/52/44/378065244.db2.gz YBGQTJBVFYSTCI-LLVKDONJSA-N 0 3 348.359 -0.086 20 5 EBBDHN O=C(CNC(=O)Nc1cccc([N+](=O)[O-])c1)N1CCOC2(CNC2)C1 ZINC000598669277 378180729 /nfs/dbraw/zinc/18/07/29/378180729.db2.gz YXRWJJRPPFODFK-UHFFFAOYSA-N 0 3 349.347 -0.083 20 5 EBBDHN N[C@H]1C[C@H]2CN(C(=O)c3n[nH]c4ccc([N+](=O)[O-])cc43)CCN2C1=O ZINC000571106807 378548412 /nfs/dbraw/zinc/54/84/12/378548412.db2.gz QVMNJIRTOZSVOI-ONGXEEELSA-N 0 3 344.331 -0.145 20 5 EBBDHN N[C@H]1C[C@@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CCN2C1=O ZINC000563441565 379025576 /nfs/dbraw/zinc/02/55/76/379025576.db2.gz MFGPARQGHPRFNR-PWSUYJOCSA-N 0 3 340.361 -0.473 20 5 EBBDHN CS(=O)(=O)N1CCC[C@H](NC[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000400167435 379186165 /nfs/dbraw/zinc/18/61/65/379186165.db2.gz ZEKNWKCOJVXTBE-JQWIXIFHSA-N 0 3 347.397 -0.834 20 5 EBBDHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)c2c[nH]nc2[N+](=O)[O-])CC1 ZINC000554887519 379249410 /nfs/dbraw/zinc/24/94/10/379249410.db2.gz HTLZJOBWJVXUHC-LLVKDONJSA-N 0 3 336.352 -0.304 20 5 EBBDHN NC(=O)[C@@]1(O)CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000276587604 379480439 /nfs/dbraw/zinc/48/04/39/379480439.db2.gz PKMQQRFZJTVBLB-IINYFYTJSA-N 0 3 325.321 -0.743 20 5 EBBDHN NC(=O)[C@@]1(O)CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000285264820 379558697 /nfs/dbraw/zinc/55/86/97/379558697.db2.gz ZUEFTSCWCPEQJX-CQSZACIVSA-N 0 3 340.311 -0.015 20 5 EBBDHN Cc1ncc([N+](=O)[O-])n1CCN(C)C[C@H](O)CN1CCOCC1 ZINC000602778245 379680549 /nfs/dbraw/zinc/68/05/49/379680549.db2.gz GWFJTKPUEMFWDA-ZDUSSCGKSA-N 0 3 327.385 -0.275 20 5 EBBDHN O=C(Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)C(=O)NC1CNC1 ZINC000556987767 379711449 /nfs/dbraw/zinc/71/14/49/379711449.db2.gz LGDYQSQEHWTPIZ-UHFFFAOYSA-N 0 3 336.304 -0.217 20 5 EBBDHN CC[C@@H](N)C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000581009089 381048638 /nfs/dbraw/zinc/04/86/38/381048638.db2.gz PJWRUEYBCRYNGM-LLVKDONJSA-N 0 3 330.366 -0.273 20 5 EBBDHN N[C@@H]1C[C@@H]2CN(c3nc4ccc([N+](=O)[O-])cc4c(=O)[nH]3)CCN2C1=O ZINC000583575488 381515307 /nfs/dbraw/zinc/51/53/07/381515307.db2.gz HOBWTVFIOAGNDD-MWLCHTKSSA-N 0 3 344.331 -0.008 20 5 EBBDHN CNCC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000263251455 154256343 /nfs/dbraw/zinc/25/63/43/154256343.db2.gz OWJJXYTUSRWVQJ-UHFFFAOYSA-N 0 3 342.377 -0.353 20 5 EBBDHN N[C@H]1C[C@H]2CN(C(=O)C(=O)Nc3cccc([N+](=O)[O-])c3)CCN2C1=O ZINC000521463792 420898006 /nfs/dbraw/zinc/89/80/06/420898006.db2.gz DIUFZZJDDIVSDJ-RYUDHWBXSA-N 0 3 347.331 -0.696 20 5 EBBDHN [NH3+]C[C@@H](NC(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000422856733 420921124 /nfs/dbraw/zinc/92/11/24/420921124.db2.gz FZXWLUQTDAFFAN-SNVBAGLBSA-N 0 3 342.377 -0.273 20 5 EBBDHN CC(C)([NH3+])CNC(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000422882067 420922193 /nfs/dbraw/zinc/92/21/93/420922193.db2.gz OXFROOMSDSWWFU-UHFFFAOYSA-N 0 3 330.366 -0.273 20 5 EBBDHN CC1(C(=O)NCC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C[NH2+]C1 ZINC000423213123 420923261 /nfs/dbraw/zinc/92/32/61/420923261.db2.gz KSOWMDKNTNIMQI-UHFFFAOYSA-N 0 3 342.377 -0.401 20 5 EBBDHN CN(C1CNC1)S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000357492862 420947999 /nfs/dbraw/zinc/94/79/99/420947999.db2.gz ZFTZUPJSMQQJCX-UHFFFAOYSA-N 0 3 329.334 -0.042 20 5 EBBDHN C[C@H]1CCCN(C(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)[C@@H]1CN ZINC000419469893 264869126 /nfs/dbraw/zinc/86/91/26/264869126.db2.gz XFKBTDWUYSQCBX-CMPLNLGQSA-N 0 3 338.368 -0.507 20 5 EBBDHN CC[NH2+][C@H](C)CNC(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000423603039 265018714 /nfs/dbraw/zinc/01/87/14/265018714.db2.gz GUIHYBQRDFNJOM-SNVBAGLBSA-N 0 3 344.393 -0.013 20 5 EBBDHN Cc1nc(S(=O)(=O)NCCC(=O)OCC(C)[N+](=O)[O-])cn1C ZINC000813111483 583698004 /nfs/dbraw/zinc/69/80/04/583698004.db2.gz IJZIOLGFSZIPJE-QMMMGPOBSA-N 0 3 334.354 -0.395 20 5 EBBDHN CC(COC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C)[N+](=O)[O-] ZINC000813112598 583698019 /nfs/dbraw/zinc/69/80/19/583698019.db2.gz IYGMHZOYZDDVSQ-QMMMGPOBSA-N 0 3 339.308 -0.968 20 5 EBBDHN O=[N+]([O-])c1cccc([C@@H](O)CN[C@@H](CO)CN2CCOCC2)c1 ZINC000843116972 584071499 /nfs/dbraw/zinc/07/14/99/584071499.db2.gz XMMLHSMKEZUJGL-HIFRSBDPSA-N 0 3 325.365 -0.089 20 5 EBBDHN O=C1O[C@@H](CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CN1C1CC1 ZINC000848679453 584160461 /nfs/dbraw/zinc/16/04/61/584160461.db2.gz VVPPSBOUYZLNQH-NEPJUHHUSA-N 0 3 325.325 -0.275 20 5 EBBDHN Cn1nnnc1CN1C[C@@H]2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC[C@@H]2C1 ZINC000946589275 653160716 /nfs/dbraw/zinc/16/07/16/653160716.db2.gz PLHGSMCRISYTPY-YVECIDJPSA-N 0 3 349.395 -0.454 20 5 EBBDHN Cc1cncn1CC(=O)N1CCC(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000947453895 653406021 /nfs/dbraw/zinc/40/60/21/653406021.db2.gz YKYYIFISOTYYFB-CHWSQXEVSA-N 0 3 335.364 -0.036 20 5 EBBDHN O=C(CCc1nnc[nH]1)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000969001285 725140800 /nfs/dbraw/zinc/14/08/00/725140800.db2.gz IETJTPPDCOKSRQ-WRWGMCAJSA-N 0 3 348.363 -0.396 20 5 EBBDHN Cc1[nH]cnc1CC(=O)NC1CN(Cc2c([N+](=O)[O-])ncn2C)C1 ZINC001031313145 730700657 /nfs/dbraw/zinc/70/06/57/730700657.db2.gz BBIJIANHMTVYQR-UHFFFAOYSA-N 0 3 333.352 -0.097 20 5 EBBDHN Cn1cc(C(=O)N[C@H]2C[C@H](CNCc3c([N+](=O)[O-])ncn3C)C2)nn1 ZINC000983599148 807053058 /nfs/dbraw/zinc/05/30/58/807053058.db2.gz NRENTBREIAHLAE-MGCOHNPYSA-N 0 3 348.367 -0.245 20 5 EBBDHN CN(CCNCc1nc2c(cnn2C)c(=O)[nH]1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001266696244 813643309 /nfs/dbraw/zinc/64/33/09/813643309.db2.gz BDDCSZPTHRSMNE-PSASIEDQSA-N 0 3 349.351 -0.718 20 5 EBBDHN COC[C@@]1(CN(C)C)COCCN1C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC001288227770 820271653 /nfs/dbraw/zinc/27/16/53/820271653.db2.gz YCOVQRKKXIEUBX-AWEZNQCLSA-N 0 3 341.368 -0.253 20 5 EBBDHN COCC(=O)NCCC(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001128686559 828510412 /nfs/dbraw/zinc/51/04/12/828510412.db2.gz SGEXQZXWOJIRRI-UHFFFAOYSA-N 0 3 338.364 -0.047 20 5 EBBDHN O=C(CN1CCC(=O)NC1=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001146870115 830235024 /nfs/dbraw/zinc/23/50/24/830235024.db2.gz XMJUFAHZUDSQBB-UHFFFAOYSA-N 0 3 349.347 -0.258 20 5 EBBDHN CC(=O)N(C)CC(=O)NCCCNCc1c([N+](=O)[O-])ncn1C ZINC001154820130 831365179 /nfs/dbraw/zinc/36/51/79/831365179.db2.gz ZLHRAHWZUCSOBR-UHFFFAOYSA-N 0 3 326.357 -0.598 20 5 EBBDHN CNC(=O)CN1CCC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])(COC)CC1 ZINC001162264307 832029755 /nfs/dbraw/zinc/02/97/55/832029755.db2.gz JESHOPBHXXPYKT-VXGBXAGGSA-N 0 3 342.396 -0.758 20 5 EBBDHN Cn1cnc([N+](=O)[O-])c1CNCCCNC(=O)c1c[nH]c(C(N)=O)c1 ZINC001176153371 832659622 /nfs/dbraw/zinc/65/96/22/832659622.db2.gz RNQNNHZLJDVVTC-UHFFFAOYSA-N 0 3 349.351 -0.335 20 5 EBBDHN COC(=O)COc1ccc(CNC[C@H](O)[C@@H](C)O)cc1[N+](=O)[O-] ZINC001179274854 832965427 /nfs/dbraw/zinc/96/54/27/832965427.db2.gz UJFVEYLAOQRFOQ-SKDRFNHKSA-N 0 3 328.321 -0.022 20 5 EBBDHN CN(CCN1CCCC1)C(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC001329710631 840997707 /nfs/dbraw/zinc/99/77/07/840997707.db2.gz NCXZONMIJCCHFP-UHFFFAOYSA-N 0 3 338.368 -0.538 20 5 EBBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCN([C@H]3CCC[C@@H]3O)CC2)c1 ZINC001330089649 841113806 /nfs/dbraw/zinc/11/38/06/841113806.db2.gz UEZZOGDIRFMXBC-ILXRZTDVSA-N 0 3 339.396 -0.317 20 5 EBBDHN CN1CC[C@@H]2OCCN(C(=O)Cn3cc([N+](=O)[O-])ccc3=O)[C@@H]2C1 ZINC000286017509 375927300 /nfs/dbraw/zinc/92/73/00/375927300.db2.gz ZXIDYPCUMWVPCH-OLZOCXBDSA-N 0 3 336.348 -0.312 20 5 EBBDHN COc1ccc(C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000563438730 377435917 /nfs/dbraw/zinc/43/59/17/377435917.db2.gz QLZUJAFAPYDFJN-MNOVXSKESA-N 0 3 334.332 -0.013 20 5 EBBDHN COc1ccc(C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cc1[N+](=O)[O-] ZINC000563438732 377436642 /nfs/dbraw/zinc/43/66/42/377436642.db2.gz QLZUJAFAPYDFJN-WDEREUQCSA-N 0 3 334.332 -0.013 20 5 EBBDHN C[C@H](NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)C(=O)NCCN(C)C ZINC000566461958 377538889 /nfs/dbraw/zinc/53/88/89/377538889.db2.gz KJADEEXTYDCFEP-JTQLQIEISA-N 0 3 340.384 -0.291 20 5 EBBDHN CN(C)C[C@@H](CO)NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000590548363 377634184 /nfs/dbraw/zinc/63/41/84/377634184.db2.gz AVACOWRJJBTTQF-NSHDSACASA-N 0 3 334.336 -0.172 20 5 EBBDHN C[C@@H]1C(=O)N(CCN(C)C)CN1c1ncc([N+](=O)[O-])cc1C(N)=O ZINC000591982605 377776772 /nfs/dbraw/zinc/77/67/72/377776772.db2.gz NTTXCHSJHLMORZ-SECBINFHSA-N 0 3 336.352 -0.355 20 5 EBBDHN COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCN(C)C[C@H]1CN ZINC000592982979 377868927 /nfs/dbraw/zinc/86/89/27/377868927.db2.gz OCBGVEICMLXMPA-SNVBAGLBSA-N 0 3 344.393 -0.133 20 5 EBBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC(N3CCOCC3)CC2)c1 ZINC000599473996 378248540 /nfs/dbraw/zinc/24/85/40/378248540.db2.gz DPIYWVYKSDIKIR-HNNXBMFYSA-N 0 3 339.396 -0.051 20 5 EBBDHN CC[NH+]1CCN(CC[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])CC1 ZINC000563589319 379048689 /nfs/dbraw/zinc/04/86/89/379048689.db2.gz CYLFJMNLUQXUOT-UHFFFAOYSA-N 0 3 343.409 -0.094 20 5 EBBDHN O=C(CCn1cc([N+](=O)[O-])cn1)Nc1nc(N2CCNCC2)n[nH]1 ZINC000574078956 379228486 /nfs/dbraw/zinc/22/84/86/379228486.db2.gz DRYPRIXNJWVNJN-UHFFFAOYSA-N 0 3 335.328 -0.652 20 5 EBBDHN C[C@@H](C[NH3+])NC(=O)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000417677004 379327159 /nfs/dbraw/zinc/32/71/59/379327159.db2.gz GXTRFYCKCSDFRU-VIFPVBQESA-N 0 3 345.381 -0.481 20 5 EBBDHN CN(CCn1cc([N+](=O)[O-])ccc1=O)C[C@@H](O)CN1CCOCC1 ZINC000090552026 379837262 /nfs/dbraw/zinc/83/72/62/379837262.db2.gz QGWBVSPEEXANQJ-CQSZACIVSA-N 0 3 340.380 -0.619 20 5 EBBDHN C[NH2+]CCNC(=O)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000417704304 380974539 /nfs/dbraw/zinc/97/45/39/380974539.db2.gz SCTDFIYVGHFSBD-UHFFFAOYSA-N 0 3 345.381 -0.608 20 5 EBBDHN Cn1ccnc1N1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000266965575 154360288 /nfs/dbraw/zinc/36/02/88/154360288.db2.gz XXXIZHVEZXBTRU-ZDUSSCGKSA-N 0 3 335.368 -0.292 20 5 EBBDHN C[C@@H](CC(N)=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000267266737 154369374 /nfs/dbraw/zinc/36/93/74/154369374.db2.gz RKXVFOIHBWFTOQ-VIFPVBQESA-N 0 3 330.366 -0.273 20 5 EBBDHN COC(=O)[C@@H]1CSCCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000412087654 419138787 /nfs/dbraw/zinc/13/87/87/419138787.db2.gz WGKVUVXMJNQPML-CMPLNLGQSA-N 0 3 344.393 -0.010 20 5 EBBDHN C[NH2+][C@@H](C)C(=O)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000518796023 419246128 /nfs/dbraw/zinc/24/61/28/419246128.db2.gz NLSXMYGFVOYVJA-VIFPVBQESA-N 0 3 330.366 -0.403 20 5 EBBDHN CN(C)CCOc1cnccc1CNC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000494673875 420943717 /nfs/dbraw/zinc/94/37/17/420943717.db2.gz MXMVRIALKAVFRG-UHFFFAOYSA-N 0 3 349.351 -0.162 20 5 EBBDHN CNc1nccc(C(=O)N2CC(CN3CCN(C)CC3)C2)c1[N+](=O)[O-] ZINC000597693493 421220601 /nfs/dbraw/zinc/22/06/01/421220601.db2.gz FETPBYOGKYPBIT-UHFFFAOYSA-N 0 3 348.407 0.351 20 5 EBBDHN CCN1CCN(CCNC(=O)c2ccnc(NC)c2[N+](=O)[O-])CC1 ZINC000553239746 421282269 /nfs/dbraw/zinc/28/22/69/421282269.db2.gz VBLOLWXRCFEDTO-UHFFFAOYSA-N 0 3 336.396 0.399 20 5 EBBDHN [NH3+][C@H](CNC(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000423476576 265006304 /nfs/dbraw/zinc/00/63/04/265006304.db2.gz KNNVOJKUVSDCSN-SNVBAGLBSA-N 0 3 342.377 -0.273 20 5 EBBDHN O=C(COC1CNC1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000429992990 265142147 /nfs/dbraw/zinc/14/21/47/265142147.db2.gz ZSIPPHXNWYDLEE-UHFFFAOYSA-N 0 3 348.359 -0.132 20 5 EBBDHN CN(CCN)C(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000817919930 583730971 /nfs/dbraw/zinc/73/09/71/583730971.db2.gz WRABYTQLLCQPOY-UHFFFAOYSA-N 0 3 335.364 -0.340 20 5 EBBDHN NC(=O)c1ccc(CN2CC(CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)cc1 ZINC001031661563 730747397 /nfs/dbraw/zinc/74/73/97/730747397.db2.gz BRIYJULSATYYFG-ZIAGYGMSSA-N 0 3 332.360 -0.001 20 5 EBBDHN CSCC(=O)NCCN1CCC(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001055511283 736363862 /nfs/dbraw/zinc/36/38/62/736363862.db2.gz YMYPJTVMTWKKBR-VXGBXAGGSA-N 0 3 344.437 -0.289 20 5 EBBDHN O=C(NCCN1CCC(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)c1ccc[nH]1 ZINC001055516424 736367114 /nfs/dbraw/zinc/36/71/14/736367114.db2.gz JXWFCJHWXRSBQR-TZMCWYRMSA-N 0 3 349.391 -0.010 20 5 EBBDHN CN(C[C@H]1CCCN1C)C(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC001261407536 812903235 /nfs/dbraw/zinc/90/32/35/812903235.db2.gz IJSTWUKHUUQBSL-LLVKDONJSA-N 0 3 338.368 -0.540 20 5 EBBDHN CC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCN(CCNS(C)(=O)=O)CC1 ZINC001278051177 817687887 /nfs/dbraw/zinc/68/78/87/817687887.db2.gz GVYLPUYFUHVGAV-GHMZBOCLSA-N 0 3 348.425 -0.829 20 5 EBBDHN CCOCCNCc1cn(C2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)nn1 ZINC001105235500 821637215 /nfs/dbraw/zinc/63/72/15/821637215.db2.gz HZUAZLWPLPXDBM-CHWSQXEVSA-N 0 3 338.368 -0.547 20 5 EBBDHN CCN1CCC[C@@H]1CNC(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC001117603896 826783933 /nfs/dbraw/zinc/78/39/33/826783933.db2.gz LWUKUVCPGVWAQE-LLVKDONJSA-N 0 3 338.368 -0.492 20 5 EBBDHN Cn1cnn(CC(=O)NCCNCc2ccc([N+](=O)[O-])cc2)c1=O ZINC001130590906 828892809 /nfs/dbraw/zinc/89/28/09/828892809.db2.gz LXBLMWDKYASFEW-UHFFFAOYSA-N 0 3 334.336 -0.604 20 5 EBBDHN O=C(CN1CCNC(=O)C1)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001132318398 829412477 /nfs/dbraw/zinc/41/24/77/829412477.db2.gz YHEKFIQRGAGELE-UHFFFAOYSA-N 0 3 335.364 -0.768 20 5 EBBDHN Cc1n[nH]c(C(=O)NCC(=O)NCCN2CCCCC2)c1[N+](=O)[O-] ZINC001140743742 830108253 /nfs/dbraw/zinc/10/82/53/830108253.db2.gz XIRMACLXHBKPMT-UHFFFAOYSA-N 0 3 338.368 -0.042 20 5 EBBDHN CN(C)CCN(CC(=O)N(C)C)C(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001146781360 830228796 /nfs/dbraw/zinc/22/87/96/830228796.db2.gz CIXDXOQVVKMLJB-UHFFFAOYSA-N 0 3 338.368 -0.336 20 5 EBBDHN CNC(=O)CN1CCC(CCOC)(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001151121500 831027584 /nfs/dbraw/zinc/02/75/84/831027584.db2.gz PQYNTXQXUSPDHD-VXGBXAGGSA-N 0 3 342.396 -0.615 20 5 EBBDHN Cn1cnc([N+](=O)[O-])c1CNCCCNC(=O)Cc1ccnn1C ZINC001157219673 831544879 /nfs/dbraw/zinc/54/48/79/831544879.db2.gz JDWVDLHBIFVVNT-UHFFFAOYSA-N 0 3 335.368 -0.100 20 5 EBBDHN Cn1cnc([N+](=O)[O-])c1CNCCCNC(=O)c1ccn(C)c(=O)c1 ZINC001161163012 831934001 /nfs/dbraw/zinc/93/40/01/831934001.db2.gz MYXZBNUOOFOCGJ-UHFFFAOYSA-N 0 3 348.363 -0.063 20 5 EBBDHN Cn1cnn(CC(=O)NCCCNCc2ccccc2[N+](=O)[O-])c1=O ZINC001161462216 831961646 /nfs/dbraw/zinc/96/16/46/831961646.db2.gz UVVVRSUKVMXXIH-UHFFFAOYSA-N 0 3 348.363 -0.214 20 5 EBBDHN Cn1cnc([N+](=O)[O-])c1CNCCCNC(=O)C(=O)NCC(F)F ZINC001161559056 831972164 /nfs/dbraw/zinc/97/21/64/831972164.db2.gz WLIPPAWKSMOIBA-UHFFFAOYSA-N 0 3 348.310 -0.695 20 5 EBBDHN Cn1cnc([N+](=O)[O-])c1CNCC1(CCNC(=O)CC(N)=O)CC1 ZINC001163912103 832151368 /nfs/dbraw/zinc/15/13/68/832151368.db2.gz YFEJGYJDOJIFHQ-UHFFFAOYSA-N 0 3 338.368 -0.420 20 5 EBBDHN CN(C)/C=C/c1cc(N2CCNC(=O)C23CNC3)ncc1[N+](=O)[O-] ZINC001165302112 832213468 /nfs/dbraw/zinc/21/34/68/832213468.db2.gz IWVLSELMWPIYAX-HWKANZROSA-N 0 3 332.364 -0.200 20 5 EBBDHN Cn1cnc([N+](=O)[O-])c1CNCCCNC(=O)CCCCC(N)=O ZINC001170626382 832516358 /nfs/dbraw/zinc/51/63/58/832516358.db2.gz PVCSZCCIBJATKW-UHFFFAOYSA-N 0 3 340.384 -0.030 20 5 EBBDHN COCCOCCC(=O)NCCCNCc1c([N+](=O)[O-])ncn1C ZINC001177303940 832774192 /nfs/dbraw/zinc/77/41/92/832774192.db2.gz HFNFWCKXZNDKJT-UHFFFAOYSA-N 0 3 343.384 -0.023 20 5 EBBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCN(CCCCCO)CC2)c1 ZINC001196554034 835431833 /nfs/dbraw/zinc/43/18/33/835431833.db2.gz IBHSNNNKJIEMSG-HNNXBMFYSA-N 0 3 341.412 -0.068 20 5 EBBDHN CNC(=O)CC(=O)N1CCC(NCc2c([N+](=O)[O-])ncn2C)CC1 ZINC001200230493 835931855 /nfs/dbraw/zinc/93/18/55/835931855.db2.gz AOLPQYWYYOFGQD-UHFFFAOYSA-N 0 3 338.368 -0.455 20 5 EBBDHN CC(C)(CO)N1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC001319488685 838138689 /nfs/dbraw/zinc/13/86/89/838138689.db2.gz GNTNNWDYXIOOPA-CYBMUJFWSA-N 0 3 327.385 -0.459 20 5 EBBDHN O=C(NCCO)C1CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC001336773831 842540615 /nfs/dbraw/zinc/54/06/15/842540615.db2.gz NFDHNYDAIXCDFZ-UHFFFAOYSA-N 0 3 338.364 -0.423 20 5 EBBDHN O=C(NC1CNC1)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000561256786 376200227 /nfs/dbraw/zinc/20/02/27/376200227.db2.gz LDLIXLQRKSJILQ-UHFFFAOYSA-N 0 3 333.348 -0.669 20 5 EBBDHN COCCN1CCC[C@@H](NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000609269561 375975229 /nfs/dbraw/zinc/97/52/29/375975229.db2.gz UBYHUMCDHDMGRL-GFCCVEGCSA-N 0 3 338.364 -0.017 20 5 EBBDHN CCN(CC)CC(=O)N1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000285770078 375922046 /nfs/dbraw/zinc/92/20/46/375922046.db2.gz XYRQXDZNMZKSEB-UHFFFAOYSA-N 0 3 338.368 -0.056 20 5 EBBDHN Cn1cc(N2CC[C@@H](NC[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2=O)cn1 ZINC000562996414 377070776 /nfs/dbraw/zinc/07/07/76/377070776.db2.gz PWLSOMICFVNPQW-QWHCGFSZSA-N 0 3 349.351 -0.719 20 5 EBBDHN N[C@H]1C[C@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CCN2C1=O ZINC000563441563 377436474 /nfs/dbraw/zinc/43/64/74/377436474.db2.gz MFGPARQGHPRFNR-JQWIXIFHSA-N 0 3 340.361 -0.473 20 5 EBBDHN NS(=O)(=O)c1ccc(NCCN2CC[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000599176422 378200901 /nfs/dbraw/zinc/20/09/01/378200901.db2.gz VBSHDHCDIAIOLJ-SNVBAGLBSA-N 0 3 330.366 -0.279 20 5 EBBDHN O=C(C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000568884192 378443856 /nfs/dbraw/zinc/44/38/56/378443856.db2.gz AIYBCXIDWPQPKZ-WOFXILAISA-N 0 3 340.361 -0.793 20 5 EBBDHN COc1ccc([N+](=O)[O-])c(C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c1 ZINC000571581559 378555272 /nfs/dbraw/zinc/55/52/72/378555272.db2.gz GSTQRIJWZMJZKP-BXKDBHETSA-N 0 3 334.332 -0.013 20 5 EBBDHN O=C1N=NCN1C1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000574023548 379224819 /nfs/dbraw/zinc/22/48/19/379224819.db2.gz NJDIYHUXFDPFGN-LBPRGKRZSA-N 0 3 337.340 -0.214 20 5 EBBDHN O=C(Cn1cc([N+](=O)[O-])ccc1=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000377514405 379446395 /nfs/dbraw/zinc/44/63/95/379446395.db2.gz YQHRTQVOLJRWBN-CHWSQXEVSA-N 0 3 336.348 -0.264 20 5 EBBDHN NC(=O)[C@@]1(O)CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000276587606 379483324 /nfs/dbraw/zinc/48/33/24/379483324.db2.gz PKMQQRFZJTVBLB-QMTHXVAHSA-N 0 3 325.321 -0.743 20 5 EBBDHN O=C1N[C@H]2CCN(C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C[C@@H]2CO1 ZINC000281245682 379521724 /nfs/dbraw/zinc/52/17/24/379521724.db2.gz GLIMCGQHNOKUIU-JLLWLGSASA-N 0 3 325.325 -0.418 20 5 EBBDHN C[C@@H]1C[C@@H](N2CCOCC2)CN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000352887980 379685442 /nfs/dbraw/zinc/68/54/42/379685442.db2.gz MCXHEJPFOFQDST-NFAWXSAZSA-N 0 3 339.396 -0.053 20 5 EBBDHN CN(C)C[C@H](O)CNC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000351183083 381274344 /nfs/dbraw/zinc/27/43/44/381274344.db2.gz LJPAEPMRJADEFU-LLVKDONJSA-N 0 3 328.300 -0.289 20 5 EBBDHN CN(C)C[C@](C)(O)CNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000269831999 381326430 /nfs/dbraw/zinc/32/64/30/381326430.db2.gz AFLZZSGXNRCYIG-OAHLLOKOSA-N 0 3 338.364 -0.247 20 5 EBBDHN COc1ccc(S(=O)(=O)NC[C@H]2CNCCO2)c([N+](=O)[O-])c1 ZINC000262054388 154210515 /nfs/dbraw/zinc/21/05/15/154210515.db2.gz DEVCASLYBAIZOS-SNVBAGLBSA-N 0 3 331.350 -0.130 20 5 EBBDHN COc1ccc(S(=O)(=O)NC[C@@H]2CNCCO2)cc1[N+](=O)[O-] ZINC000262292080 154223513 /nfs/dbraw/zinc/22/35/13/154223513.db2.gz NKCAMHVFHSRTOY-VIFPVBQESA-N 0 3 331.350 -0.130 20 5 EBBDHN O=C(NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])[C@@H]1CC[NH2+]C1 ZINC000262639207 154241241 /nfs/dbraw/zinc/24/12/41/154241241.db2.gz OFUTUXAZDOWWIQ-SNVBAGLBSA-N 0 3 342.377 -0.401 20 5 EBBDHN CS(=O)(=O)c1ccc(N2CCN(C(=O)CN)CC2)c([N+](=O)[O-])c1 ZINC000262142189 419004941 /nfs/dbraw/zinc/00/49/41/419004941.db2.gz MFVCAKNECYIYQG-UHFFFAOYSA-N 0 3 342.377 -0.394 20 5 EBBDHN COc1ccc(S(=O)(=O)N2CCN(C)C[C@H]2CN)c([N+](=O)[O-])c1 ZINC000321266996 419049443 /nfs/dbraw/zinc/04/94/43/419049443.db2.gz BDJOTLWGVGYQPO-SNVBAGLBSA-N 0 3 344.393 -0.133 20 5 EBBDHN C[C@@H](CN)NC(=O)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000420026490 420908365 /nfs/dbraw/zinc/90/83/65/420908365.db2.gz JNVJYWUQBIASCM-NSHDSACASA-N 0 3 335.364 -0.293 20 5 EBBDHN [NH3+][C@@H]1CCCN(C(=O)C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000422693913 420921941 /nfs/dbraw/zinc/92/19/41/420921941.db2.gz RUFDQGMJRXSPEY-SNVBAGLBSA-N 0 3 342.377 -0.177 20 5 EBBDHN O=C1NCCN1[C@@H]1CCCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000533492274 420932996 /nfs/dbraw/zinc/93/29/96/420932996.db2.gz JVAYLOCSXMQNEV-YPMHNXCESA-N 0 3 338.368 -0.358 20 5 EBBDHN O=C(NC[C@@H]1CNCCO1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000423986932 265047117 /nfs/dbraw/zinc/04/71/17/265047117.db2.gz GUTKKGNKMFPKHN-LBPRGKRZSA-N 0 3 332.320 -0.106 20 5 EBBDHN O=C(Cn1cc([N+](=O)[O-])ccc1=O)NC[C@@H](O)CN1CCCCC1 ZINC000434447495 265202963 /nfs/dbraw/zinc/20/29/63/265202963.db2.gz BKQVNHBTTRFFMA-CYBMUJFWSA-N 0 3 338.364 -0.281 20 5 EBBDHN O=[N+]([O-])c1cccc([C@@H](O)CN[C@H](CO)CN2CCOCC2)c1 ZINC000843116985 584071564 /nfs/dbraw/zinc/07/15/64/584071564.db2.gz XMMLHSMKEZUJGL-ZFWWWQNUSA-N 0 3 325.365 -0.089 20 5 EBBDHN O=C1O[C@@H](CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)CN1C1CC1 ZINC000848679455 584160337 /nfs/dbraw/zinc/16/03/37/584160337.db2.gz VVPPSBOUYZLNQH-RYUDHWBXSA-N 0 3 325.325 -0.275 20 5 EBBDHN O=C(c1ccn[nH]1)N1CC(N2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)C1 ZINC000967216091 724838581 /nfs/dbraw/zinc/83/85/81/724838581.db2.gz MQNQIACNNUSGJR-DGCLKSJQSA-N 0 3 348.363 -0.957 20 5 EBBDHN CN(C)Cc1ccoc1C(=O)NC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000998556107 726490748 /nfs/dbraw/zinc/49/07/48/726490748.db2.gz JZKUWUNCRXGMPL-VXGBXAGGSA-N 0 3 336.348 -0.053 20 5 EBBDHN O=C(NCC1CN(C(=O)c2cncc3nc[nH]c32)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001001803873 726624528 /nfs/dbraw/zinc/62/45/28/726624528.db2.gz CCRZNNKZDAQZME-BXKDBHETSA-N 0 3 344.331 -0.189 20 5 EBBDHN CC(COC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1)[N+](=O)[O-] ZINC001263475412 813113125 /nfs/dbraw/zinc/11/31/25/813113125.db2.gz HXJQCNPQZSGIDN-BDAKNGLRSA-N 0 3 347.349 -0.640 20 5 EBBDHN CCNC(=O)CCC(=O)NCCCNCc1c([N+](=O)[O-])ncn1C ZINC001155666825 831420623 /nfs/dbraw/zinc/42/06/23/831420623.db2.gz GAWBWJMYQVXFLK-UHFFFAOYSA-N 0 3 340.384 -0.160 20 5 EBBDHN Cn1cnc([N+](=O)[O-])c1CNCCCNC(=O)CCn1ccnn1 ZINC001157100735 831534513 /nfs/dbraw/zinc/53/45/13/831534513.db2.gz NTTYMDHXRLDELE-UHFFFAOYSA-N 0 3 336.356 -0.394 20 5 EBBDHN Cc1nnc(CC(=O)NCCCNCc2c([N+](=O)[O-])ncn2C)o1 ZINC001157479768 831570202 /nfs/dbraw/zinc/57/02/02/831570202.db2.gz HQLFSFGDRGERBY-UHFFFAOYSA-N 0 3 337.340 -0.142 20 5 EBBDHN CNC(=O)NC[C@H]1CCCCN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001175361372 832622395 /nfs/dbraw/zinc/62/23/95/832622395.db2.gz HPKPDNIVMZJYQK-YPMHNXCESA-N 0 3 340.384 -0.064 20 5 EBBDHN COc1ccc(CC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cc1[N+](=O)[O-] ZINC000584183563 376218543 /nfs/dbraw/zinc/21/85/43/376218543.db2.gz NGWRCNPUXHDTLR-RYUDHWBXSA-N 0 3 348.359 -0.084 20 5 EBBDHN COC(=O)[C@@H]1C[C@H](O)CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000592195984 377802435 /nfs/dbraw/zinc/80/24/35/377802435.db2.gz IVOAOFFGNFJJNG-USWWRNFRSA-N 0 3 328.325 -0.992 20 5 EBBDHN CCCc1n[nH]c(C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)c1[N+](=O)[O-] ZINC000594878996 377965154 /nfs/dbraw/zinc/96/51/54/377965154.db2.gz QSMGQWVTEGRUQV-DTWKUNHWSA-N 0 3 336.352 -0.346 20 5 EBBDHN CCCc1[nH]nc(C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)c1[N+](=O)[O-] ZINC000594878996 377965159 /nfs/dbraw/zinc/96/51/59/377965159.db2.gz QSMGQWVTEGRUQV-DTWKUNHWSA-N 0 3 336.352 -0.346 20 5 EBBDHN CN(CC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)c1ccccc1[N+](=O)[O-] ZINC000594885707 377966855 /nfs/dbraw/zinc/96/68/55/377966855.db2.gz CNVWHAGGONMSGQ-NEPJUHHUSA-N 0 3 347.375 -0.199 20 5 EBBDHN N[C@@H]1C[C@H]2CN(C(=O)COc3ccccc3[N+](=O)[O-])CCN2C1=O ZINC000594873631 377969080 /nfs/dbraw/zinc/96/90/80/377969080.db2.gz DJIDUFJZHYGREZ-WDEREUQCSA-N 0 3 334.332 -0.256 20 5 EBBDHN CN(C)C(=O)N(C)[C@@H]1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000595826889 378029865 /nfs/dbraw/zinc/02/98/65/378029865.db2.gz PNHSOACLYIHHQQ-YPMHNXCESA-N 0 3 340.384 -0.160 20 5 EBBDHN Cc1nn(C)c(C(=O)N(CCN(C)C)CC(=O)N(C)C)c1[N+](=O)[O-] ZINC000598185279 378158057 /nfs/dbraw/zinc/15/80/57/378158057.db2.gz IJTPZQVRZYTWDR-UHFFFAOYSA-N 0 3 340.384 -0.271 20 5 EBBDHN COC(=O)[C@]1(OC)CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000599562937 378258756 /nfs/dbraw/zinc/25/87/56/378258756.db2.gz KJXVNPQOSPOLMX-YPMHNXCESA-N 0 3 328.325 -0.584 20 5 EBBDHN CC(C)(C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)n1cc([N+](=O)[O-])cn1 ZINC000569002095 378445540 /nfs/dbraw/zinc/44/55/40/378445540.db2.gz XCZWDPYBZJNVIP-MWLCHTKSSA-N 0 3 336.352 -0.703 20 5 EBBDHN CC(C)(CNC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)NS(C)(=O)=O ZINC000316220064 378500091 /nfs/dbraw/zinc/50/00/91/378500091.db2.gz DRDLPNOKSKKHEN-SNVBAGLBSA-N 0 3 335.386 -0.930 20 5 EBBDHN CNC(=O)c1ccc(N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000571418638 378550741 /nfs/dbraw/zinc/55/07/41/378550741.db2.gz XGFGODOUDYCOSH-GHMZBOCLSA-N 0 3 333.348 -0.297 20 5 EBBDHN O=C1CN(CCNC[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCN1 ZINC000571517145 378553225 /nfs/dbraw/zinc/55/32/25/378553225.db2.gz GYYIDYDDBBJNRF-CYBMUJFWSA-N 0 3 338.364 -0.644 20 5 EBBDHN CCOC[C@@H](O)CNCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000573833915 379107336 /nfs/dbraw/zinc/10/73/36/379107336.db2.gz JPEYVUDYIJNREQ-LBPRGKRZSA-N 0 3 347.393 -0.140 20 5 EBBDHN [NH3+]CCCNC(=O)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000417705639 379326939 /nfs/dbraw/zinc/32/69/39/379326939.db2.gz VARQRVDKNYJLKR-UHFFFAOYSA-N 0 3 345.381 -0.479 20 5 EBBDHN CC(C)C[C@@H](CN)NC(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000419457899 379340866 /nfs/dbraw/zinc/34/08/66/379340866.db2.gz ATACOKXHIYCCPI-JTQLQIEISA-N 0 3 326.357 -0.603 20 5 EBBDHN C[C@@H]1CCCN(C(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)[C@H]1CN ZINC000419469895 379341295 /nfs/dbraw/zinc/34/12/95/379341295.db2.gz XFKBTDWUYSQCBX-PWSUYJOCSA-N 0 3 338.368 -0.507 20 5 EBBDHN O=C(NCCn1cc([N+](=O)[O-])cn1)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000372037838 379412047 /nfs/dbraw/zinc/41/20/47/379412047.db2.gz QUGZYBSLRAAPCL-YPMHNXCESA-N 0 3 338.368 -0.046 20 5 EBBDHN Cn1cc(CN2CCC[C@H](C(=O)N3CCNCC3)C2)c([N+](=O)[O-])n1 ZINC000603428360 379684556 /nfs/dbraw/zinc/68/45/56/379684556.db2.gz ITKCRQWJRHOXGS-LBPRGKRZSA-N 0 3 336.396 -0.028 20 5 EBBDHN CC[C@H](CO)N1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000075962716 379745240 /nfs/dbraw/zinc/74/52/40/379745240.db2.gz ADVDWYGOFYLADO-OCCSQVGLSA-N 0 3 327.385 -0.459 20 5 EBBDHN O=C(NCCCCN1CCN(CCO)CC1)c1cc([N+](=O)[O-])n[nH]1 ZINC000354422170 379708369 /nfs/dbraw/zinc/70/83/69/379708369.db2.gz HPKLDNWTQFJNPC-UHFFFAOYSA-N 0 3 340.384 -0.562 20 5 EBBDHN O=C(NCCCCN1CC[NH+](CCO)CC1)c1cc([N+](=O)[O-])n[n-]1 ZINC000354422170 379708377 /nfs/dbraw/zinc/70/83/77/379708377.db2.gz HPKLDNWTQFJNPC-UHFFFAOYSA-N 0 3 340.384 -0.562 20 5 EBBDHN CN(C)[C@H]1CN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@@H]1O ZINC000582763616 381067152 /nfs/dbraw/zinc/06/71/52/381067152.db2.gz OLHPMHWGYSSVQA-UBHSHLNASA-N 0 3 325.365 -0.059 20 5 EBBDHN CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)C(=O)NCCN(C)C)n1 ZINC000580782494 381036224 /nfs/dbraw/zinc/03/62/24/381036224.db2.gz BMUNWRMXYMKEPP-VIFPVBQESA-N 0 3 326.357 -0.393 20 5 EBBDHN N[C@@H]1C[C@@H]2CN(C(=O)CNc3ccccc3[N+](=O)[O-])CCN2C1=O ZINC000582976370 381091859 /nfs/dbraw/zinc/09/18/59/381091859.db2.gz WXTJBQOTOOZKJB-GHMZBOCLSA-N 0 3 333.348 -0.223 20 5 EBBDHN N[C@@H]1C[C@@H]2CN(c3cc4nc[nH]c(=O)c4cc3[N+](=O)[O-])CCN2C1=O ZINC000580465404 381759372 /nfs/dbraw/zinc/75/93/72/381759372.db2.gz HNOYPPMGPXGNJS-PSASIEDQSA-N 0 3 344.331 -0.008 20 5 EBBDHN C[C@@H](N)C(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000261828214 154201723 /nfs/dbraw/zinc/20/17/23/154201723.db2.gz MZVGYVFVSLLFGF-SNVBAGLBSA-N 0 3 342.377 -0.225 20 5 EBBDHN [NH3+]CCCC(=O)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000262471102 154233122 /nfs/dbraw/zinc/23/31/22/154233122.db2.gz OAXXWJLCHYVYKP-UHFFFAOYSA-N 0 3 330.366 -0.272 20 5 EBBDHN C[NH2+]CCC(=O)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000262530971 154236195 /nfs/dbraw/zinc/23/61/95/154236195.db2.gz MAUUSSKPGIOMPE-UHFFFAOYSA-N 0 3 330.366 -0.401 20 5 EBBDHN CNCC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000263248085 154256389 /nfs/dbraw/zinc/25/63/89/154256389.db2.gz NPSBJKVAOYOXJI-UHFFFAOYSA-N 0 3 342.377 -0.353 20 5 EBBDHN Cc1nn(CCC(=O)NC[C@]2(O)CCN(C)C2)c(C)c1[N+](=O)[O-] ZINC000358056136 157204632 /nfs/dbraw/zinc/20/46/32/157204632.db2.gz ZQSWDSFDYDZDIV-CQSZACIVSA-N 0 3 325.369 -0.019 20 5 EBBDHN CNS(=O)(=O)c1ccc(NC[C@@]2(O)CCN(C)C2)c([N+](=O)[O-])c1 ZINC000358332549 157233488 /nfs/dbraw/zinc/23/34/88/157233488.db2.gz UDOJHRFUWPBVPQ-ZDUSSCGKSA-N 0 3 344.393 -0.019 20 5 EBBDHN Nc1nc(NCCCCN2CCN(CCO)CC2)ncc1[N+](=O)[O-] ZINC000358206433 420654361 /nfs/dbraw/zinc/65/43/61/420654361.db2.gz ANUIMDJYRBDCDB-UHFFFAOYSA-N 0 3 339.400 -0.809 20 5 EBBDHN O=C(C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])N[C@H]1CCC[NH2+]C1 ZINC000422728171 420921604 /nfs/dbraw/zinc/92/16/04/420921604.db2.gz IUNPMWHRJJDJAL-JTQLQIEISA-N 0 3 342.377 -0.259 20 5 EBBDHN CN(C(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C1CC([NH3+])C1 ZINC000423706894 265033624 /nfs/dbraw/zinc/03/36/24/265033624.db2.gz NKKWEWMVRACDSY-UHFFFAOYSA-N 0 3 342.377 -0.179 20 5 EBBDHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)Nc3cccc([N+](=O)[O-])c3)CCN2C1=O ZINC000521463791 272894175 /nfs/dbraw/zinc/89/41/75/272894175.db2.gz DIUFZZJDDIVSDJ-NWDGAFQWSA-N 0 3 347.331 -0.696 20 5 EBBDHN O=[N+]([O-])c1ccc([C@H](O)CNC[C@@H](O)CN2CCOCC2)cc1 ZINC000746286179 583104760 /nfs/dbraw/zinc/10/47/60/583104760.db2.gz NKGIMFUUTHTQIU-HUUCEWRRSA-N 0 3 325.365 -0.089 20 5 EBBDHN Cc1c(C(=O)OCC(C)[N+](=O)[O-])cnc2c1c(=O)n(C)c(=O)n2C ZINC000813113011 583698076 /nfs/dbraw/zinc/69/80/76/583698076.db2.gz NVPARSIMGNDFBH-ZETCQYMHSA-N 0 3 336.304 -0.237 20 5 EBBDHN CNC(=O)CN1CCC2(CC1)CN(C(=O)[C@@H]1CC1[N+](=O)[O-])CCO2 ZINC000949091915 653594375 /nfs/dbraw/zinc/59/43/75/653594375.db2.gz JDUMFHJIUMLRCH-VXGBXAGGSA-N 0 3 340.380 -0.909 20 5 EBBDHN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(C(=O)c2cncc3nc[nH]c32)C1 ZINC000954241473 719630487 /nfs/dbraw/zinc/63/04/87/719630487.db2.gz KJXFIRAKSATTHN-BXKDBHETSA-N 0 3 344.331 -0.094 20 5 EBBDHN O=C(c1ccn[nH]1)N1CCOC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC000965324516 724177318 /nfs/dbraw/zinc/17/73/18/724177318.db2.gz MUOONVKHSYVOIX-MWLCHTKSSA-N 0 3 335.320 -0.872 20 5 EBBDHN Cc1nccn1CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000976478704 726323019 /nfs/dbraw/zinc/32/30/19/726323019.db2.gz AITDCSNZTZALJH-DIACKHNESA-N 0 3 333.348 -0.570 20 5 EBBDHN O=C(N[C@H]1C[C@H](NCc2nnc3n2CCOC3)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001020138973 729081743 /nfs/dbraw/zinc/08/17/43/729081743.db2.gz KJVLKZUKTZSDAV-GWOFURMSSA-N 0 3 336.352 -0.790 20 5 EBBDHN Cn1nnc(CNC[C@H]2CC[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1 ZINC001050325840 734886621 /nfs/dbraw/zinc/88/66/21/734886621.db2.gz NVDVJHIOMSEBAB-DDHJBXDOSA-N 0 3 337.384 -0.360 20 5 EBBDHN CN(CCNCc1cccc([N+](=O)[O-])c1)C(=O)CN1C(=O)CNC1=O ZINC001267466799 813904861 /nfs/dbraw/zinc/90/48/61/813904861.db2.gz UBJAQVHKSIPNDA-UHFFFAOYSA-N 0 3 349.347 -0.305 20 5 EBBDHN CC(C)N(C)CC(=O)N[C@@H]1[C@H]2CN(c3ncc([N+](=O)[O-])c(N)n3)C[C@H]21 ZINC001097567565 819003861 /nfs/dbraw/zinc/00/38/61/819003861.db2.gz MSLZJKQEGKONRG-IWIIMEHWSA-N 0 3 349.395 -0.142 20 5 EBBDHN CN(CC(=O)NCCNCc1ccc([N+](=O)[O-])cc1)S(C)(=O)=O ZINC001128603891 828485102 /nfs/dbraw/zinc/48/51/02/828485102.db2.gz PITYEAOPRBJGHO-UHFFFAOYSA-N 0 3 344.393 -0.308 20 5 EBBDHN CS(=O)(=O)c1ccc(CNCCNC(=O)[C@@H]2CC2[N+](=O)[O-])o1 ZINC001126936225 828234287 /nfs/dbraw/zinc/23/42/87/828234287.db2.gz BNSHBPKEQPJZIX-NXEZZACHSA-N 0 3 331.350 -0.446 20 5 EBBDHN CN1CC(=O)N(CC(=O)NCCNCc2cccc([N+](=O)[O-])c2)C1=O ZINC001150331976 830865520 /nfs/dbraw/zinc/86/55/20/830865520.db2.gz PRDXDJQQQFNDRG-UHFFFAOYSA-N 0 3 349.347 -0.305 20 5 EBBDHN Cn1cnc([N+](=O)[O-])c1CNCCCNC(=O)c1c[nH]c(=O)cn1 ZINC001165285982 832211344 /nfs/dbraw/zinc/21/13/44/832211344.db2.gz CKSMORLIIFGLEZ-UHFFFAOYSA-N 0 3 335.324 -0.679 20 5 EBBDHN CNC(=O)NC[C@H]1CCCCN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001175361369 832622300 /nfs/dbraw/zinc/62/23/00/832622300.db2.gz HPKPDNIVMZJYQK-DGCLKSJQSA-N 0 3 340.384 -0.064 20 5 EBBDHN C[C@@H]1CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H](C)CN1CCO ZINC001195279073 835209861 /nfs/dbraw/zinc/20/98/61/835209861.db2.gz MMKIFHGIBYCDOU-MBNYWOFBSA-N 0 3 327.385 -0.461 20 5 EBBDHN O=C(c1nc[nH]n1)N(CCO)CCNCc1ccc([N+](=O)[O-])cc1 ZINC001484496792 1126597841 /nfs/dbraw/zinc/59/78/41/1126597841.db2.gz JTAPGPFOAQRTBT-UHFFFAOYSA-N 0 3 334.336 -0.063 20 5 EBBDHN Cn1cnnc1CNCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCOCC1 ZINC001484862762 1126646941 /nfs/dbraw/zinc/64/69/41/1126646941.db2.gz PHMQNBGEMRVSLT-GHMZBOCLSA-N 0 3 338.368 -0.765 20 5 EBBDHN CC[NH2+]CCCNC(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000577610279 375886159 /nfs/dbraw/zinc/88/61/59/375886159.db2.gz ATJPTWRBIJIJHE-UHFFFAOYSA-N 0 3 344.393 -0.011 20 5 EBBDHN CNS(=O)(=O)c1ccc(N[C@H](CO)CN(C)C)c([N+](=O)[O-])c1 ZINC000589101830 377398947 /nfs/dbraw/zinc/39/89/47/377398947.db2.gz NOXRBPONDAQRLY-VIFPVBQESA-N 0 3 332.382 -0.163 20 5 EBBDHN CN1CCN(C(=O)C(=O)NCc2cccc([N+](=O)[O-])c2)[C@H](CN)C1 ZINC000563619827 377438785 /nfs/dbraw/zinc/43/87/85/377438785.db2.gz ZYGONCGFJSYHIM-CYBMUJFWSA-N 0 3 335.364 -0.688 20 5 EBBDHN C[C@@H]1C(=O)N(CCN(C)C)CN1c1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000591985435 377777661 /nfs/dbraw/zinc/77/76/61/377777661.db2.gz NKPMXIVCMRSFDL-SECBINFHSA-N 0 3 336.352 -0.355 20 5 EBBDHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000592878580 377856344 /nfs/dbraw/zinc/85/63/44/377856344.db2.gz HASJJPIVAAXHIV-NSHDSACASA-N 0 3 338.368 -0.240 20 5 EBBDHN CCOC(=O)c1ccnc(N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c1[N+](=O)[O-] ZINC000567179469 377983323 /nfs/dbraw/zinc/98/33/23/377983323.db2.gz GTIRWMBEJRKNFV-ONGXEEELSA-N 0 3 349.347 -0.085 20 5 EBBDHN N[C@H]1C[C@@H]2CN(C(=O)c3cc4c(cc3[N+](=O)[O-])OCO4)CCN2C1=O ZINC000568654415 378406030 /nfs/dbraw/zinc/40/60/30/378406030.db2.gz PYIURLKGITYPCQ-SCZZXKLOSA-N 0 3 348.315 -0.293 20 5 EBBDHN CN1CCN(C(=O)C(=O)NCCc2ccccc2[N+](=O)[O-])[C@H](CN)C1 ZINC000568737316 378421943 /nfs/dbraw/zinc/42/19/43/378421943.db2.gz JNTJAYICXSOQDR-CYBMUJFWSA-N 0 3 349.391 -0.645 20 5 EBBDHN CCOC[C@H](O)CNCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000573833914 379105543 /nfs/dbraw/zinc/10/55/43/379105543.db2.gz JPEYVUDYIJNREQ-GFCCVEGCSA-N 0 3 347.393 -0.140 20 5 EBBDHN CN(C)[C@H]1CN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C[C@@H]1O ZINC000556974153 379711126 /nfs/dbraw/zinc/71/11/26/379711126.db2.gz VFINTSCURITFMC-STQMWFEESA-N 0 3 336.348 -0.542 20 5 EBBDHN CS(=O)(=O)C1(CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCC1 ZINC000574512890 380782230 /nfs/dbraw/zinc/78/22/30/380782230.db2.gz ZJEIOBQBQJRDSS-NSHDSACASA-N 0 3 332.382 -0.291 20 5 EBBDHN COC(=O)c1ccc([N+](=O)[O-])c(N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)n1 ZINC000576887222 381930077 /nfs/dbraw/zinc/93/00/77/381930077.db2.gz FIPCKSGQVDVHGZ-BDAKNGLRSA-N 0 3 335.320 -0.475 20 5 EBBDHN CCN1CCN(CCNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000353884121 382182794 /nfs/dbraw/zinc/18/27/94/382182794.db2.gz XOGVHEQOJMDKGR-UHFFFAOYSA-N 0 3 337.380 -0.490 20 5 EBBDHN CC(C)(N)C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000262426505 154229972 /nfs/dbraw/zinc/22/99/72/154229972.db2.gz HPGHERRNESRQBW-UHFFFAOYSA-N 0 3 330.366 -0.273 20 5 EBBDHN NC1(C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000262702465 154244293 /nfs/dbraw/zinc/24/42/93/154244293.db2.gz JRDJIRLHKHYXCX-UHFFFAOYSA-N 0 3 328.350 -0.519 20 5 EBBDHN O=C(NCCn1cc([N+](=O)[O-])cn1)N[C@H]1CCCN(CCCO)C1 ZINC000297153768 155081833 /nfs/dbraw/zinc/08/18/33/155081833.db2.gz DIDUZVBQTKDZOI-LBPRGKRZSA-N 0 3 340.384 -0.063 20 5 EBBDHN CN1CC[C@](O)(CNC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000358419143 157242847 /nfs/dbraw/zinc/24/28/47/157242847.db2.gz IFRMRVICMLRRMG-HNNXBMFYSA-N 0 3 336.348 -0.493 20 5 EBBDHN O=C(NCCn1cc([N+](=O)[O-])cn1)NCC1CCN(CCO)CC1 ZINC000152132116 419665018 /nfs/dbraw/zinc/66/50/18/419665018.db2.gz VJFQSPXKWRPKPS-UHFFFAOYSA-N 0 3 340.384 -0.205 20 5 EBBDHN C[C@H](C[NH3+])N(C)C(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000422827429 420921495 /nfs/dbraw/zinc/92/14/95/420921495.db2.gz DQKAYQSQOALVDH-SECBINFHSA-N 0 3 330.366 -0.321 20 5 EBBDHN CC(C)[C@H]([NH3+])CNC(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000422847247 420922237 /nfs/dbraw/zinc/92/22/37/420922237.db2.gz HVFWEGNJKLCYMB-SNVBAGLBSA-N 0 3 344.393 -0.027 20 5 EBBDHN C[C@@H](N)C(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000489920890 420938923 /nfs/dbraw/zinc/93/89/23/420938923.db2.gz DBGGQOMKUSIBLB-SNVBAGLBSA-N 0 3 342.377 -0.225 20 5 EBBDHN CN1CCN(CCCCNc2nccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000578057930 421204532 /nfs/dbraw/zinc/20/45/32/421204532.db2.gz ALGMRCYZABTIAA-UHFFFAOYSA-N 0 3 336.396 0.528 20 5 EBBDHN C[C@@H](NC(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])[C@H](C)[NH3+] ZINC000423679175 265031114 /nfs/dbraw/zinc/03/11/14/265031114.db2.gz LSOMDCNMMDAPOC-DTWKUNHWSA-N 0 3 330.366 -0.275 20 5 EBBDHN O=[N+]([O-])c1ccc([C@@H](O)CNC[C@@H](O)CN2CCOCC2)cc1 ZINC000746286175 583104718 /nfs/dbraw/zinc/10/47/18/583104718.db2.gz NKGIMFUUTHTQIU-CABCVRRESA-N 0 3 325.365 -0.089 20 5 EBBDHN CON(C)C(=O)C1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000812867945 583696886 /nfs/dbraw/zinc/69/68/86/583696886.db2.gz HCMHNLMVGWGZRQ-CYBMUJFWSA-N 0 3 341.368 -0.116 20 5 EBBDHN O=[N+]([O-])c1cccc([C@H](O)CN[C@H](CO)CN2CCOCC2)c1 ZINC000843116971 584071647 /nfs/dbraw/zinc/07/16/47/584071647.db2.gz XMMLHSMKEZUJGL-DZGCQCFKSA-N 0 3 325.365 -0.089 20 5 EBBDHN Cn1cnc([N+](=O)[O-])c1CNC1CCN(C(=O)Cc2nnc[nH]2)CC1 ZINC000997162507 726439896 /nfs/dbraw/zinc/43/98/96/726439896.db2.gz WIYSESZHCBHFHB-UHFFFAOYSA-N 0 3 348.367 -0.230 20 5 EBBDHN Cn1cnc(C(=O)N[C@H]2C[C@H](CNCc3c([N+](=O)[O-])ncn3C)C2)n1 ZINC000983603860 807054895 /nfs/dbraw/zinc/05/48/95/807054895.db2.gz KEQZFNWUYWYJDH-MGCOHNPYSA-N 0 3 348.367 -0.245 20 5 EBBDHN CC(=O)N(C)CC(=O)N(C)CCCNCc1c([N+](=O)[O-])ncn1C ZINC001268782652 814385958 /nfs/dbraw/zinc/38/59/58/814385958.db2.gz WYFYOQSWAKROCA-UHFFFAOYSA-N 0 3 340.384 -0.255 20 5 EBBDHN C[C@@H](CNC(=O)Cn1cnc([N+](=O)[O-])n1)CN1CCN(C)CC1 ZINC001318491856 822327210 /nfs/dbraw/zinc/32/72/10/822327210.db2.gz SHUAGIXASINSDR-NSHDSACASA-N 0 3 325.373 -0.814 20 5 EBBDHN CN1CCN(CC2CN(C(=O)Cn3cc([N+](=O)[O-])ccc3=O)C2)CC1 ZINC001117774567 826807268 /nfs/dbraw/zinc/80/72/68/826807268.db2.gz AVJWATRQGQCVMA-UHFFFAOYSA-N 0 3 349.391 -0.538 20 5 EBBDHN CC(COC(=O)C1CCN(c2ccc3nnnn3n2)CC1)[N+](=O)[O-] ZINC001122969176 827673831 /nfs/dbraw/zinc/67/38/31/827673831.db2.gz ZTTWQLWRVSGIJX-SECBINFHSA-N 0 3 335.324 -0.056 20 5 EBBDHN Cc1csc(NC(=O)CNCCNC(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC001126936223 828234068 /nfs/dbraw/zinc/23/40/68/828234068.db2.gz BMJGAAKFVMUSML-RKDXNWHRSA-N 0 3 327.366 -0.239 20 5 EBBDHN Cc1nnc(NC(=O)CNCCNC(=O)[C@@H]2CC2[N+](=O)[O-])s1 ZINC001126936937 828234103 /nfs/dbraw/zinc/23/41/03/828234103.db2.gz XRQIYWHDXYCGGF-HTQZYQBOSA-N 0 3 328.354 -0.844 20 5 EBBDHN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCCN(C)CCO ZINC001155251617 831395387 /nfs/dbraw/zinc/39/53/87/831395387.db2.gz TVYZIUQHBAPGAW-NSHDSACASA-N 0 3 342.400 -0.132 20 5 EBBDHN Cn1cnc([N+](=O)[O-])c1CNCCCNC(=O)CN1CCOCC1 ZINC001156753726 831494000 /nfs/dbraw/zinc/49/40/00/831494000.db2.gz KHXCSVDBADKFQR-UHFFFAOYSA-N 0 3 340.384 -0.744 20 5 EBBDHN Cn1cnc([N+](=O)[O-])c1CNCCCNC(=O)c1cccn(C)c1=O ZINC001171540329 832563502 /nfs/dbraw/zinc/56/35/02/832563502.db2.gz XYVYVDXWEMPJNL-UHFFFAOYSA-N 0 3 348.363 -0.063 20 5 EBBDHN Cn1cnc([N+](=O)[O-])c1CNCCCNC(=O)CCCC(N)=O ZINC001177387117 832778482 /nfs/dbraw/zinc/77/84/82/832778482.db2.gz ZYRHMKVBKFXNER-UHFFFAOYSA-N 0 3 326.357 -0.420 20 5 EBBDHN CN1CCN(CC2CN(C(=O)c3ccnc(N)c3[N+](=O)[O-])C2)CC1 ZINC001328395936 840669853 /nfs/dbraw/zinc/66/98/53/840669853.db2.gz QNNDCSACNQQYPS-UHFFFAOYSA-N 0 3 334.380 -0.109 20 5 EBBDHN CCNC(=O)CN1C[C@]2(C)CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@]2(C)C1 ZINC001330524677 841228257 /nfs/dbraw/zinc/22/82/57/841228257.db2.gz DTUSFVLQORKCNM-BHTHQVBYSA-N 0 3 338.408 -0.042 20 5 EBBDHN NC(=O)[C@H]1CCCN1C1CCN(C(=O)c2c[nH]nc2[N+](=O)[O-])CC1 ZINC001340016208 842963689 /nfs/dbraw/zinc/96/36/89/842963689.db2.gz MFBSVDWESYLLFN-LLVKDONJSA-N 0 3 336.352 -0.128 20 5 EBBDHN CC(C)NC(=O)NCCN1CC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001481624107 1126025250 /nfs/dbraw/zinc/02/52/50/1126025250.db2.gz MOMLRMZNZOBNBT-VXGBXAGGSA-N 0 3 327.385 -0.593 20 5 EBBDHN COc1cc(C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000577652031 375892083 /nfs/dbraw/zinc/89/20/83/375892083.db2.gz ZBVFNLAOLVOFHN-WDEREUQCSA-N 0 3 334.332 -0.013 20 5 EBBDHN COc1ccc(S(=O)(=O)N2CCN(C)C[C@@H]2CN)cc1[N+](=O)[O-] ZINC000321398558 375901157 /nfs/dbraw/zinc/90/11/57/375901157.db2.gz HNVGMWPIVLSKRE-JTQLQIEISA-N 0 3 344.393 -0.133 20 5 EBBDHN COc1ccc(C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cc1[N+](=O)[O-] ZINC000563438731 377437108 /nfs/dbraw/zinc/43/71/08/377437108.db2.gz QLZUJAFAPYDFJN-QWRGUYRKSA-N 0 3 334.332 -0.013 20 5 EBBDHN CN(C)[C@H]1CN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)C[C@@H]1O ZINC000564343281 377444535 /nfs/dbraw/zinc/44/45/35/377444535.db2.gz VSCTYPDZAIRQFC-KBPBESRZSA-N 0 3 346.347 -0.078 20 5 EBBDHN CS(=O)(=O)N1CCC[C@@H]1CNC[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000566063771 377468379 /nfs/dbraw/zinc/46/83/79/377468379.db2.gz LSMZYHUGNUUEMW-ZYHUDNBSSA-N 0 3 347.397 -0.834 20 5 EBBDHN CN(C)CCN1CCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])CC1=O ZINC000593485668 377887853 /nfs/dbraw/zinc/88/78/53/377887853.db2.gz AVLROWXKZPXWKA-UHFFFAOYSA-N 0 3 335.364 -0.096 20 5 EBBDHN CCc1n[nH]c(C(=O)N2CCN(CCN(C)C)C(=O)C2)c1[N+](=O)[O-] ZINC000593785269 377914457 /nfs/dbraw/zinc/91/44/57/377914457.db2.gz ZQRRWWHCVPSJIU-UHFFFAOYSA-N 0 3 338.368 -0.274 20 5 EBBDHN CCc1[nH]nc(C(=O)N2CCN(CCN(C)C)C(=O)C2)c1[N+](=O)[O-] ZINC000593785269 377914460 /nfs/dbraw/zinc/91/44/60/377914460.db2.gz ZQRRWWHCVPSJIU-UHFFFAOYSA-N 0 3 338.368 -0.274 20 5 EBBDHN CN(C)C(=O)N(C)[C@H]1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000595826888 378029986 /nfs/dbraw/zinc/02/99/86/378029986.db2.gz PNHSOACLYIHHQQ-WCQYABFASA-N 0 3 340.384 -0.160 20 5 EBBDHN CC[C@@H]([NH2+]C)C(=O)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000595924431 378036224 /nfs/dbraw/zinc/03/62/24/378036224.db2.gz JQPXGMQXOWGJRI-SNVBAGLBSA-N 0 3 344.393 -0.013 20 5 EBBDHN [NH3+]C1(CC(=O)NCC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000595945913 378041152 /nfs/dbraw/zinc/04/11/52/378041152.db2.gz QNGYENDGSJZONO-UHFFFAOYSA-N 0 3 342.377 -0.129 20 5 EBBDHN CCS(=O)(=O)C1(CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000596066163 378052020 /nfs/dbraw/zinc/05/20/20/378052020.db2.gz ZHKKTEFBVXHJHM-LLVKDONJSA-N 0 3 332.382 -0.291 20 5 EBBDHN Nc1nc(N)nc(N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000599046323 378195031 /nfs/dbraw/zinc/19/50/31/378195031.db2.gz HFHRXVVXIBRRQY-UHFFFAOYSA-N 0 3 344.335 -0.433 20 5 EBBDHN CCOC[C@@H](O)CNCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000570443984 378509404 /nfs/dbraw/zinc/50/94/04/378509404.db2.gz HQNVQMGPSPKJGT-LBPRGKRZSA-N 0 3 347.393 -0.140 20 5 EBBDHN CCc1n[nH]c(C(=O)N[C@@H](C)C(=O)NCCN(C)C)c1[N+](=O)[O-] ZINC000563403817 379014354 /nfs/dbraw/zinc/01/43/54/379014354.db2.gz QQCVNEFJQCORSR-QMMMGPOBSA-N 0 3 326.357 -0.324 20 5 EBBDHN CS(=O)(=O)N1CCC[C@@H](NC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000400167697 379185969 /nfs/dbraw/zinc/18/59/69/379185969.db2.gz ZEKNWKCOJVXTBE-ZYHUDNBSSA-N 0 3 347.397 -0.834 20 5 EBBDHN O=C(Cn1cc([N+](=O)[O-])ccc1=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000377514407 379446201 /nfs/dbraw/zinc/44/62/01/379446201.db2.gz YQHRTQVOLJRWBN-QWHCGFSZSA-N 0 3 336.348 -0.264 20 5 EBBDHN CC[C@@H](N)C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000574273846 379487682 /nfs/dbraw/zinc/48/76/82/379487682.db2.gz YDHWAMNLTPTCGE-LLVKDONJSA-N 0 3 330.366 -0.273 20 5 EBBDHN O=C(CN1CCCC1)N1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000331898127 379511962 /nfs/dbraw/zinc/51/19/62/379511962.db2.gz JMANMHPIGMGGHI-UHFFFAOYSA-N 0 3 336.352 -0.302 20 5 EBBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC[C@@H]2CN2CCOCC2)c1 ZINC000075890250 379740240 /nfs/dbraw/zinc/74/02/40/379740240.db2.gz IGXAVEXDXCMGNE-UKRRQHHQSA-N 0 3 339.396 -0.051 20 5 EBBDHN C[C@H]1CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCN1CC(C)(C)O ZINC000189892013 380916861 /nfs/dbraw/zinc/91/68/61/380916861.db2.gz FTEYSQITMKESGC-JSGCOSHPSA-N 0 3 341.412 -0.071 20 5 EBBDHN NC(=O)c1ccc(CN2CCN3C(=O)[C@H](N)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000581321523 381071003 /nfs/dbraw/zinc/07/10/03/381071003.db2.gz OBTOLYVWOOBWCP-NWDGAFQWSA-N 0 3 333.348 -0.563 20 5 EBBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC[C@H]2CN2CCOCC2)c1 ZINC000247459982 154185579 /nfs/dbraw/zinc/18/55/79/154185579.db2.gz IGXAVEXDXCMGNE-DZGCQCFKSA-N 0 3 339.396 -0.051 20 5 EBBDHN CN1CC[C@](O)(CNc2cccc(S(N)(=O)=O)c2[N+](=O)[O-])C1 ZINC000358306914 157232401 /nfs/dbraw/zinc/23/24/01/157232401.db2.gz NNAVDNKYWLMUPU-LBPRGKRZSA-N 0 3 330.366 -0.279 20 5 EBBDHN O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)NC[C@@H]1CNCCO1 ZINC000517024837 419090227 /nfs/dbraw/zinc/09/02/27/419090227.db2.gz HOERUORRHVRGMK-ZDUSSCGKSA-N 0 3 336.348 -0.181 20 5 EBBDHN C[NH2+][C@@H]1CCN(C(=O)C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000422716687 420921782 /nfs/dbraw/zinc/92/17/82/420921782.db2.gz UZORAEFHBVXQIJ-SNVBAGLBSA-N 0 3 342.377 -0.307 20 5 EBBDHN COc1cccc(C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c1[N+](=O)[O-] ZINC000516089616 265627965 /nfs/dbraw/zinc/62/79/65/265627965.db2.gz UTNJWNRNHFUDID-MWLCHTKSSA-N 0 3 334.332 -0.013 20 5 EBBDHN CN(C)CCN1CCN(C(=O)c2cc([N+](=O)[O-])cnc2N)CC1=O ZINC000846356668 584125282 /nfs/dbraw/zinc/12/52/82/584125282.db2.gz JLRBLAIAXBSRSD-UHFFFAOYSA-N 0 3 336.352 -0.582 20 5 EBBDHN O=[N+]([O-])c1cnc(N2CCC[N@@H+](CCO)CC2)c(-c2nnn[n-]2)c1 ZINC000738370982 598503268 /nfs/dbraw/zinc/50/32/68/598503268.db2.gz ZNNCYSYAUXRKPG-UHFFFAOYSA-N 0 3 334.340 -0.326 20 5 EBBDHN O=[N+]([O-])c1cnc(N2CCC[N@H+](CCO)CC2)c(-c2nnn[n-]2)c1 ZINC000738370982 598503269 /nfs/dbraw/zinc/50/32/69/598503269.db2.gz ZNNCYSYAUXRKPG-UHFFFAOYSA-N 0 3 334.340 -0.326 20 5 EBBDHN Cc1cc(CC(=O)N[C@@H]2[C@H]3CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C[C@H]32)[nH]n1 ZINC000976349444 726271316 /nfs/dbraw/zinc/27/13/16/726271316.db2.gz XQXBLVCQTKNGFE-DIACKHNESA-N 0 3 333.348 -0.501 20 5 EBBDHN O=C(CN1CCC(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)N1CCOCC1 ZINC001002791632 726648057 /nfs/dbraw/zinc/64/80/57/726648057.db2.gz JFBLBDOHEHIAKC-CHWSQXEVSA-N 0 3 340.380 -0.909 20 5 EBBDHN CN(CCN1CCC(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)S(C)(=O)=O ZINC001227257850 811913194 /nfs/dbraw/zinc/91/31/94/811913194.db2.gz GINVKHXZRGZFJA-VXGBXAGGSA-N 0 3 348.425 -0.876 20 5 EBBDHN CCCn1nnnc1CN[C@H]1C[C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001086363112 816307436 /nfs/dbraw/zinc/30/74/36/816307436.db2.gz CIVXOSRHINPRIH-DDHJBXDOSA-N 0 3 337.384 -0.267 20 5 EBBDHN CCC1(NCc2nnn(C)n2)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001273757113 816751026 /nfs/dbraw/zinc/75/10/26/816751026.db2.gz QGLBEAGJHIEDNC-GHMZBOCLSA-N 0 3 337.384 -0.264 20 5 EBBDHN NC(=O)C(=O)NCC1(NCc2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC001278718707 817798882 /nfs/dbraw/zinc/79/88/82/817798882.db2.gz PTDOHHRDCIILRV-UHFFFAOYSA-N 0 3 336.348 -0.165 20 5 EBBDHN CCN(CC)CC(=O)N[C@@H]1[C@H]2CN(c3ncc([N+](=O)[O-])c(N)n3)C[C@H]21 ZINC001097567133 819003713 /nfs/dbraw/zinc/00/37/13/819003713.db2.gz LRHVVKMHAWSOKI-IWIIMEHWSA-N 0 3 349.395 -0.140 20 5 EBBDHN O=C(CN1CCOCC1=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001129547218 828633944 /nfs/dbraw/zinc/63/39/44/828633944.db2.gz YCNHFBDWSYMRJO-UHFFFAOYSA-N 0 3 336.348 -0.341 20 5 EBBDHN CC(C)CNC(=O)CN1CCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC001147508560 830355548 /nfs/dbraw/zinc/35/55/48/830355548.db2.gz ZVKZVMZLHUVHPE-CHWSQXEVSA-N 0 3 338.408 -0.042 20 5 EBBDHN CS(=O)(=O)c1ccc([N-][C@]23CC[NH2+][C@H]2CC(=O)N3)c([N+](=O)[O-])c1 ZINC001163254594 832094041 /nfs/dbraw/zinc/09/40/41/832094041.db2.gz OKNSNGUSIHWXSM-AAEUAGOBSA-N 0 3 340.361 -0.012 20 5 EBBDHN COC(=O)c1ncc([N+](=O)[O-])c(C)c1N(C)S(=O)(=O)CCN ZINC001164296588 832183029 /nfs/dbraw/zinc/18/30/29/832183029.db2.gz GFVSPYAFSILPCB-UHFFFAOYSA-N 0 3 332.338 -0.190 20 5 EBBDHN Cn1cnc([N+](=O)[O-])c1CNCCCNC(=O)c1cccc(=O)n1C ZINC001166333288 832257317 /nfs/dbraw/zinc/25/73/17/832257317.db2.gz LMAFAFOSJCDBNM-UHFFFAOYSA-N 0 3 348.363 -0.063 20 5 EBBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCN([C@@H]3CCC[C@H]3O)CC2)c1 ZINC001330089652 841113667 /nfs/dbraw/zinc/11/36/67/841113667.db2.gz UEZZOGDIRFMXBC-RBSFLKMASA-N 0 3 339.396 -0.317 20 5 EBBDHN COc1ccc(CC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cc1[N+](=O)[O-] ZINC000584183562 376218277 /nfs/dbraw/zinc/21/82/77/376218277.db2.gz NGWRCNPUXHDTLR-NWDGAFQWSA-N 0 3 348.359 -0.084 20 5 EBBDHN COc1ccc(CC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000584183561 376218316 /nfs/dbraw/zinc/21/83/16/376218316.db2.gz NGWRCNPUXHDTLR-NEPJUHHUSA-N 0 3 348.359 -0.084 20 5 EBBDHN O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC000588863575 376397785 /nfs/dbraw/zinc/39/77/85/376397785.db2.gz QJCCAMLTIPMTQT-WCQYABFASA-N 0 3 336.348 -0.576 20 5 EBBDHN O=C(Cn1cc([N+](=O)[O-])ccc1=O)N[C@H](CO)CN1CCCCC1 ZINC000288458344 376640942 /nfs/dbraw/zinc/64/09/42/376640942.db2.gz JTXZILZWNKLEKB-LBPRGKRZSA-N 0 3 338.364 -0.281 20 5 EBBDHN COC(=O)C[C@]1(NC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCOC1 ZINC000362269410 376725514 /nfs/dbraw/zinc/72/55/14/376725514.db2.gz IYWTZKHSNIKZSS-DGCLKSJQSA-N 0 3 328.325 -0.536 20 5 EBBDHN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCN(C)C[C@@H]1CN ZINC000592477187 377838617 /nfs/dbraw/zinc/83/86/17/377838617.db2.gz SDOSQEGUCANOJM-RISCZKNCSA-N 0 3 349.391 -0.186 20 5 EBBDHN NS(=O)(=O)c1ccc(N2CCCN(CCO)CC2)cc1[N+](=O)[O-] ZINC000596113297 378052410 /nfs/dbraw/zinc/05/24/10/378052410.db2.gz TYZIYGXIZRORBW-UHFFFAOYSA-N 0 3 344.393 -0.253 20 5 EBBDHN CN(C)CCN(CC(=O)N(C)C)C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000596817706 378073725 /nfs/dbraw/zinc/07/37/25/378073725.db2.gz RLKNFVZUTUNATH-UHFFFAOYSA-N 0 3 338.368 -0.105 20 5 EBBDHN Nc1nc(N)nc(N2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)n1 ZINC000599086485 378196882 /nfs/dbraw/zinc/19/68/82/378196882.db2.gz MFHBTCBMJIFMHE-UHFFFAOYSA-N 0 3 344.335 -0.433 20 5 EBBDHN CN(C)CCN(CC(=O)N(C)C)C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000598188457 378159787 /nfs/dbraw/zinc/15/97/87/378159787.db2.gz SZRQYJVMXDMHIO-UHFFFAOYSA-N 0 3 326.357 -0.580 20 5 EBBDHN N[C@@H]1C[C@H]2CN(C(=O)c3cc4c(cc3[N+](=O)[O-])OCO4)CCN2C1=O ZINC000568654416 378406610 /nfs/dbraw/zinc/40/66/10/378406610.db2.gz PYIURLKGITYPCQ-WCBMZHEXSA-N 0 3 348.315 -0.293 20 5 EBBDHN C[C@H](O)CN1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H](C)C1 ZINC000249525205 379370069 /nfs/dbraw/zinc/37/00/69/379370069.db2.gz XUUCDMMQUSHKIW-SGMGOOAPSA-N 0 3 327.385 -0.461 20 5 EBBDHN O=C(NCCn1cc([N+](=O)[O-])cn1)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000372037836 379412019 /nfs/dbraw/zinc/41/20/19/379412019.db2.gz QUGZYBSLRAAPCL-DGCLKSJQSA-N 0 3 338.368 -0.046 20 5 EBBDHN CN1CC[C@](O)(CNC(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000351594062 379628724 /nfs/dbraw/zinc/62/87/24/379628724.db2.gz AWDPWMYUCQOGLK-AWEZNQCLSA-N 0 3 340.311 -0.145 20 5 EBBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC[C@@H]2CN2CCOCC2)c1 ZINC000075890253 379740411 /nfs/dbraw/zinc/74/04/11/379740411.db2.gz IGXAVEXDXCMGNE-HIFRSBDPSA-N 0 3 339.396 -0.051 20 5 EBBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@@H](O)[C@H](O)C1 ZINC000444692922 380348823 /nfs/dbraw/zinc/34/88/23/380348823.db2.gz FXRXXFQEMHDERK-VXGBXAGGSA-N 0 3 325.321 -0.031 20 5 EBBDHN C[C@H]1CN(CC(C)(C)O)CCN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000189422084 380904820 /nfs/dbraw/zinc/90/48/20/380904820.db2.gz RVDSFHAQAPHKDX-JSGCOSHPSA-N 0 3 341.412 -0.071 20 5 EBBDHN NC(=O)[C@@H]1CC[C@H](CNC[C@H](O)COc2cccc([N+](=O)[O-])c2)O1 ZINC000581365168 381070676 /nfs/dbraw/zinc/07/06/76/381070676.db2.gz HTHFCJQPEJDEQV-YUTCNCBUSA-N 0 3 339.348 -0.043 20 5 EBBDHN O=C(Nc1nc(N2CC[NH2+]CC2)n[nH]1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000580772902 381033155 /nfs/dbraw/zinc/03/31/55/381033155.db2.gz CYEXCQXQKKVYIL-UHFFFAOYSA-N 0 3 334.296 -0.525 20 5 EBBDHN COC(=O)c1ccc([N+](=O)[O-])c(N2CCN3C(=O)[C@H](N)C[C@H]3C2)n1 ZINC000576887223 381930292 /nfs/dbraw/zinc/93/02/92/381930292.db2.gz FIPCKSGQVDVHGZ-DTWKUNHWSA-N 0 3 335.320 -0.475 20 5 EBBDHN C[C@H]([NH3+])[C@H](C)C(=O)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000262529670 154236458 /nfs/dbraw/zinc/23/64/58/154236458.db2.gz MWYQKXJAOFZSTC-UWVGGRQHSA-N 0 3 344.393 -0.027 20 5 EBBDHN C[C@H](C[NH3+])C(=O)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000262555930 154236849 /nfs/dbraw/zinc/23/68/49/154236849.db2.gz PNZSFGZIYZHFCW-SECBINFHSA-N 0 3 330.366 -0.416 20 5 EBBDHN CCN(CC)CC(=O)N1CCN(c2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000264215653 154274663 /nfs/dbraw/zinc/27/46/63/154274663.db2.gz NUBPKFRBHORHDQ-UHFFFAOYSA-N 0 3 337.384 -0.043 20 5 EBBDHN CN1CC[C@](O)(CNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000358331588 157234100 /nfs/dbraw/zinc/23/41/00/157234100.db2.gz RHBINIRPGJSDNB-LBPRGKRZSA-N 0 3 330.366 -0.279 20 5 EBBDHN COC(=O)[C@H]1CSCCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000412087663 419139782 /nfs/dbraw/zinc/13/97/82/419139782.db2.gz WGKVUVXMJNQPML-ZYHUDNBSSA-N 0 3 344.393 -0.010 20 5 EBBDHN CN(CCN)C(=O)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000422986757 420921205 /nfs/dbraw/zinc/92/12/05/420921205.db2.gz DJKUIZBFPUDQDW-UHFFFAOYSA-N 0 3 335.364 -0.340 20 5 EBBDHN O=C(C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])NC[C@@H]1CCC[NH2+]1 ZINC000422792760 420921579 /nfs/dbraw/zinc/92/15/79/420921579.db2.gz WJNMHYKLPRWCBY-JTQLQIEISA-N 0 3 342.377 -0.259 20 5 EBBDHN O=C1NCCN1[C@@H]1CCCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000533492268 420932647 /nfs/dbraw/zinc/93/26/47/420932647.db2.gz JVAYLOCSXMQNEV-DGCLKSJQSA-N 0 3 338.368 -0.358 20 5 EBBDHN CN(C)CCn1ccc(NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)n1 ZINC000338649757 421193475 /nfs/dbraw/zinc/19/34/75/421193475.db2.gz OPJHTLCPRMXEMJ-UHFFFAOYSA-N 0 3 334.336 0.153 20 5 EBBDHN CNc1nccc(C(=O)N2CCC[C@@](O)(CN(C)C)C2)c1[N+](=O)[O-] ZINC000597573337 421220528 /nfs/dbraw/zinc/22/05/28/421220528.db2.gz DOOOCIRCRZHGKN-OAHLLOKOSA-N 0 3 337.380 0.560 20 5 EBBDHN C[C@H](C[NH3+])CNC(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000423457702 265006522 /nfs/dbraw/zinc/00/65/22/265006522.db2.gz PHMQAIBGHLMKRC-SECBINFHSA-N 0 3 330.366 -0.416 20 5 EBBDHN C[NH2+][C@H](C)CNC(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000423630777 265022355 /nfs/dbraw/zinc/02/23/55/265022355.db2.gz LPOVMYOQEVJHEQ-SECBINFHSA-N 0 3 330.366 -0.403 20 5 EBBDHN O=C(NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])[C@H]1CC[NH2+]1 ZINC000444117920 265360149 /nfs/dbraw/zinc/36/01/49/265360149.db2.gz ULOOGSXCJIJIBA-SECBINFHSA-N 0 3 328.350 -0.649 20 5 EBBDHN C[NH+](C)C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CCO1 ZINC000736758630 582953955 /nfs/dbraw/zinc/95/39/55/582953955.db2.gz HLSSVTOUCCMWNH-SNVBAGLBSA-N 0 3 334.340 -0.063 20 5 EBBDHN O=[N+]([O-])c1ccc([C@@H](O)CN[C@@H](CO)CN2CCOCC2)cc1 ZINC000843113396 584071302 /nfs/dbraw/zinc/07/13/02/584071302.db2.gz NTUOCWGFMHCJQX-HIFRSBDPSA-N 0 3 325.365 -0.089 20 5 EBBDHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000594374036 650016029 /nfs/dbraw/zinc/01/60/29/650016029.db2.gz LRIZUSGHXQORNS-VIFPVBQESA-N 0 3 336.352 -0.236 20 5 EBBDHN CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(C(=O)Cn2cncc2C)C1 ZINC000967947655 724938109 /nfs/dbraw/zinc/93/81/09/724938109.db2.gz ZGMZAWOXRHGNND-CHWSQXEVSA-N 0 3 335.364 -0.084 20 5 EBBDHN Cn1cnc([N+](=O)[O-])c1C[NH2+]C1CCN(C(=O)c2nc[n-]n2)CC1 ZINC000997097146 726438014 /nfs/dbraw/zinc/43/80/14/726438014.db2.gz MUZFTKPIAIHGNU-UHFFFAOYSA-N 0 3 334.340 -0.159 20 5 EBBDHN Cn1cnc([N+](=O)[O-])c1CNC1CCN(C(=O)c2nc[nH]n2)CC1 ZINC000997097146 726438015 /nfs/dbraw/zinc/43/80/15/726438015.db2.gz MUZFTKPIAIHGNU-UHFFFAOYSA-N 0 3 334.340 -0.159 20 5 EBBDHN O=C(NC1CN(C(=O)c2cncc3nc[nH]c32)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000991289446 809243918 /nfs/dbraw/zinc/24/39/18/809243918.db2.gz DWHWQKALVPMDKJ-LDYMZIIASA-N 0 3 330.304 -0.436 20 5 EBBDHN CCN(C(=O)Cn1ccnc1C)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001079806148 811734634 /nfs/dbraw/zinc/73/46/34/811734634.db2.gz SXNDWMPHMPKJFQ-CHWSQXEVSA-N 0 3 335.364 -0.084 20 5 EBBDHN CN(C[C@@H]1CCCN1C)C(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC001261407537 812903215 /nfs/dbraw/zinc/90/32/15/812903215.db2.gz IJSTWUKHUUQBSL-NSHDSACASA-N 0 3 338.368 -0.540 20 5 EBBDHN CN(CCNCc1cccc([N+](=O)[O-])c1)C(=O)CN1CCNC(=O)C1 ZINC001267412128 813883284 /nfs/dbraw/zinc/88/32/84/813883284.db2.gz KBFCKOVOZARSLU-UHFFFAOYSA-N 0 3 349.391 -0.425 20 5 EBBDHN CN(CCCNCc1c([N+](=O)[O-])ncn1C)C(=O)c1c[nH]c(=O)cn1 ZINC001268825592 814399879 /nfs/dbraw/zinc/39/98/79/814399879.db2.gz MWCGDAYPYKATNS-UHFFFAOYSA-N 0 3 349.351 -0.337 20 5 EBBDHN Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CC(NC3CCOCC3)C2)n1 ZINC001309850767 821782934 /nfs/dbraw/zinc/78/29/34/821782934.db2.gz NPMPPXBVYVDEEE-UHFFFAOYSA-N 0 3 345.381 -0.530 20 5 EBBDHN C[C@H](CNC(=O)Cn1cnc([N+](=O)[O-])n1)CN1CCN(C)CC1 ZINC001318491855 822327706 /nfs/dbraw/zinc/32/77/06/822327706.db2.gz SHUAGIXASINSDR-LLVKDONJSA-N 0 3 325.373 -0.814 20 5 EBBDHN Cn1cnc([N+](=O)[O-])c1CNCCCNC(=O)c1cc[n+]([O-])cc1 ZINC001154372756 831329476 /nfs/dbraw/zinc/32/94/76/831329476.db2.gz FGURNWHKZRUFRS-UHFFFAOYSA-N 0 3 334.336 -0.129 20 5 EBBDHN CC(=O)N1CC(C(=O)NCCCNCc2c([N+](=O)[O-])ncn2C)C1 ZINC001157116639 831536005 /nfs/dbraw/zinc/53/60/05/831536005.db2.gz MQANGXOJNUTTFI-UHFFFAOYSA-N 0 3 338.368 -0.598 20 5 EBBDHN CCn1ncc(C(=O)NCCCNCc2c([N+](=O)[O-])ncn2C)n1 ZINC001157521125 831575258 /nfs/dbraw/zinc/57/52/58/831575258.db2.gz RUTREMFXFYLGGT-UHFFFAOYSA-N 0 3 336.356 -0.151 20 5 EBBDHN CC(C)(C)n1nnnc1CNCCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001157760302 831590748 /nfs/dbraw/zinc/59/07/48/831590748.db2.gz BAGDYGVXLLIIDV-NXEZZACHSA-N 0 3 325.373 -0.311 20 5 EBBDHN NC(=O)CN(C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCOCC1 ZINC001175782397 832645059 /nfs/dbraw/zinc/64/50/59/832645059.db2.gz KSBXZFPNUDIFPS-LBPRGKRZSA-N 0 3 327.341 -0.882 20 5 EBBDHN Cc1ncc([N+](=O)[O-])n1CCN1C[C@@H](C)[C@H](CS(N)(=O)=O)C1 ZINC001176611255 832682108 /nfs/dbraw/zinc/68/21/08/832682108.db2.gz URHVRUGUORJGPV-KOLCDFICSA-N 0 3 331.398 -0.044 20 5 EBBDHN COC(=O)COc1ccc(CNC[C@H](O)[C@H](C)O)cc1[N+](=O)[O-] ZINC001179274852 832964954 /nfs/dbraw/zinc/96/49/54/832964954.db2.gz UJFVEYLAOQRFOQ-CABZTGNLSA-N 0 3 328.321 -0.022 20 5 EBBDHN CCN1CCN([C@H](C)CNC(=O)Cn2cnc([N+](=O)[O-])n2)CC1 ZINC001328076855 840580336 /nfs/dbraw/zinc/58/03/36/840580336.db2.gz VIJJIKRXDAHHDO-LLVKDONJSA-N 0 3 325.373 -0.672 20 5 EBBDHN CCN1CC[C@H]2OCCN(C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)[C@H]2C1 ZINC000550225707 376540418 /nfs/dbraw/zinc/54/04/18/376540418.db2.gz MFYNYCXZMMOIBH-QLFBSQMISA-N 0 3 339.396 -0.053 20 5 EBBDHN CC[C@@H](CNS(C)(=O)=O)NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000570794720 377282069 /nfs/dbraw/zinc/28/20/69/377282069.db2.gz FVYJDXMZHDPGDZ-GXSJLCMTSA-N 0 3 335.386 -0.930 20 5 EBBDHN CS(=O)(=O)NCCNC[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000564652350 377445045 /nfs/dbraw/zinc/44/50/45/377445045.db2.gz YWWBSGHBKCNUSJ-LLVKDONJSA-N 0 3 333.366 -0.527 20 5 EBBDHN CCS(=O)(=O)NCCNC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000566106031 377483379 /nfs/dbraw/zinc/48/33/79/377483379.db2.gz FAVGEYIUKMOVIR-NSHDSACASA-N 0 3 347.393 -0.137 20 5 EBBDHN N[C@H]1C[C@H]2CN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CCN2C1=O ZINC000594876030 377965727 /nfs/dbraw/zinc/96/57/27/377965727.db2.gz ZTMGSWYBVFLXQA-JQWIXIFHSA-N 0 3 340.361 -0.473 20 5 EBBDHN NC(=O)C1(NC[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCOCC1 ZINC000595727947 378026246 /nfs/dbraw/zinc/02/62/46/378026246.db2.gz GTDSRXFKSVNGAO-GFCCVEGCSA-N 0 3 339.348 -0.041 20 5 EBBDHN NS(=O)(=O)c1ccc(C(=O)N2CCN3CC[C@H]2C3)cc1[N+](=O)[O-] ZINC000597708086 378129249 /nfs/dbraw/zinc/12/92/49/378129249.db2.gz IFXLZYTUQNRFTK-JTQLQIEISA-N 0 3 340.361 -0.228 20 5 EBBDHN N[C@H]1C[C@H]2CN(C(=O)c3cc4c(cc3[N+](=O)[O-])OCO4)CCN2C1=O ZINC000568654417 378406725 /nfs/dbraw/zinc/40/67/25/378406725.db2.gz PYIURLKGITYPCQ-WPRPVWTQSA-N 0 3 348.315 -0.293 20 5 EBBDHN CNC(=O)c1ccc(N2CCN3C(=O)[C@H](N)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000571418644 378551277 /nfs/dbraw/zinc/55/12/77/378551277.db2.gz XGFGODOUDYCOSH-WDEREUQCSA-N 0 3 333.348 -0.297 20 5 EBBDHN NS(=O)(=O)c1cc([N+](=O)[O-])cc(N2CCCN(CCO)CC2)c1 ZINC000265847147 379204126 /nfs/dbraw/zinc/20/41/26/379204126.db2.gz UPJASKBSOKIJDY-UHFFFAOYSA-N 0 3 344.393 -0.253 20 5 EBBDHN C[C@@H](CN)NC(=O)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000420031961 379348307 /nfs/dbraw/zinc/34/83/07/379348307.db2.gz SLSBSNLJQYBVES-NSHDSACASA-N 0 3 335.364 -0.293 20 5 EBBDHN O=C(Cn1cc([N+](=O)[O-])ccc1=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000377514408 379445911 /nfs/dbraw/zinc/44/59/11/379445911.db2.gz YQHRTQVOLJRWBN-STQMWFEESA-N 0 3 336.348 -0.264 20 5 EBBDHN COc1ccc(NC(=O)CCN2C[C@@H](O)[C@@H](O)C2)c([N+](=O)[O-])c1 ZINC000278674554 379500383 /nfs/dbraw/zinc/50/03/83/379500383.db2.gz IJSGQCGBDWEFKQ-BETUJISGSA-N 0 3 325.321 -0.031 20 5 EBBDHN CN(C)CCN1C[C@H](C(=O)NCCn2cc([N+](=O)[O-])cn2)CC1=O ZINC000156982284 379551157 /nfs/dbraw/zinc/55/11/57/379551157.db2.gz BUIUNWKIAVMWKX-LLVKDONJSA-N 0 3 338.368 -0.682 20 5 EBBDHN CN1CCN(CCCNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000354319881 379705727 /nfs/dbraw/zinc/70/57/27/379705727.db2.gz SUYOBWMPDXHZHS-UHFFFAOYSA-N 0 3 337.380 -0.490 20 5 EBBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@H](O)[C@@H](O)C1 ZINC000444692919 380348022 /nfs/dbraw/zinc/34/80/22/380348022.db2.gz FXRXXFQEMHDERK-RYUDHWBXSA-N 0 3 325.321 -0.031 20 5 EBBDHN [NH3+][C@H]1CCN(C(=O)C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000580834260 381037873 /nfs/dbraw/zinc/03/78/73/381037873.db2.gz YVKGZEHPXUSKGR-VIFPVBQESA-N 0 3 328.350 -0.567 20 5 EBBDHN NC(=O)[C@@H]1CC[C@@H](CNC[C@@H](O)COc2ccccc2[N+](=O)[O-])O1 ZINC000580828942 381038319 /nfs/dbraw/zinc/03/83/19/381038319.db2.gz RYVSWCAOYWNZBR-SUNKGSAMSA-N 0 3 339.348 -0.043 20 5 EBBDHN O=C(NCCn1cc([N+](=O)[O-])cn1)NC[C@H]1CCCCN1CCO ZINC000458549449 381246480 /nfs/dbraw/zinc/24/64/80/381246480.db2.gz CRJVJTWJWAOAJQ-GFCCVEGCSA-N 0 3 340.384 -0.063 20 5 EBBDHN N[C@@H]1C[C@H]2CN(c3nc4ccc([N+](=O)[O-])cc4c(=O)[nH]3)CCN2C1=O ZINC000583575486 381515194 /nfs/dbraw/zinc/51/51/94/381515194.db2.gz HOBWTVFIOAGNDD-GXSJLCMTSA-N 0 3 344.331 -0.008 20 5 EBBDHN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@@H]1CNCCO1 ZINC000262348814 154226838 /nfs/dbraw/zinc/22/68/38/154226838.db2.gz VCMJSHFISXCCHN-JTQLQIEISA-N 0 3 331.350 -0.130 20 5 EBBDHN C[C@@H](C[NH3+])C(=O)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000262555931 154237093 /nfs/dbraw/zinc/23/70/93/154237093.db2.gz PNZSFGZIYZHFCW-VIFPVBQESA-N 0 3 330.366 -0.416 20 5 EBBDHN C[NH2+]C[C@@H](C)C(=O)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000262617315 154239416 /nfs/dbraw/zinc/23/94/16/154239416.db2.gz DVOREMYNBOODRS-SNVBAGLBSA-N 0 3 344.393 -0.155 20 5 EBBDHN C[C@@H](CC(N)=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000267284640 154369596 /nfs/dbraw/zinc/36/95/96/154369596.db2.gz WFGNXGOKWMGNFJ-VIFPVBQESA-N 0 3 330.366 -0.273 20 5 EBBDHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000594374035 420646907 /nfs/dbraw/zinc/64/69/07/420646907.db2.gz LRIZUSGHXQORNS-SECBINFHSA-N 0 3 336.352 -0.236 20 5 EBBDHN CC[NH2+]CCNC(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000422778544 420921847 /nfs/dbraw/zinc/92/18/47/420921847.db2.gz DTMHSLLIWRJCFU-UHFFFAOYSA-N 0 3 330.366 -0.401 20 5 EBBDHN CNc1nccc(C(=O)NC[C@](C)(O)CCN(C)C)c1[N+](=O)[O-] ZINC000577231499 421220983 /nfs/dbraw/zinc/22/09/83/421220983.db2.gz LZLIWQJAJGNMCV-CQSZACIVSA-N 0 3 325.369 0.464 20 5 EBBDHN CNc1nccc(C(=O)N[C@@H](C)C(=O)NCCN(C)C)c1[N+](=O)[O-] ZINC000569707712 421221045 /nfs/dbraw/zinc/22/10/45/421221045.db2.gz JPOXMFVXSAUABM-VIFPVBQESA-N 0 3 338.368 -0.172 20 5 EBBDHN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCN(C)C[C@H]1CN ZINC000321453821 264629968 /nfs/dbraw/zinc/62/99/68/264629968.db2.gz QOIRULGPFPJNFI-LLVKDONJSA-N 0 3 344.393 -0.133 20 5 EBBDHN C[NH2+][C@@H](C)CNC(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000423630778 265022100 /nfs/dbraw/zinc/02/21/00/265022100.db2.gz LPOVMYOQEVJHEQ-VIFPVBQESA-N 0 3 330.366 -0.403 20 5 EBBDHN Cn1cnc([N+](=O)[O-])c1CN1CCC[C@@H](C(=O)N2CCNCC2)C1 ZINC000430613369 265150277 /nfs/dbraw/zinc/15/02/77/265150277.db2.gz WBEUMNQRLLAHDA-GFCCVEGCSA-N 0 3 336.396 -0.028 20 5 EBBDHN COCCNS(=O)(=O)c1c[nH]c(C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813105622 583697987 /nfs/dbraw/zinc/69/79/87/583697987.db2.gz QRMLXDGMJJQWMO-MRVPVSSYSA-N 0 3 335.338 -0.239 20 5 EBBDHN C[C@H](CN)NC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000842252880 584062441 /nfs/dbraw/zinc/06/24/41/584062441.db2.gz GHIIMWMOKOJYOU-LLVKDONJSA-N 0 3 335.364 -0.293 20 5 EBBDHN O=C(CCc1nnc[nH]1)N1CC=C(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001017440458 728576949 /nfs/dbraw/zinc/57/69/49/728576949.db2.gz HYNFSZYKXYQAPU-VXGBXAGGSA-N 0 3 348.363 -0.323 20 5 EBBDHN O=C(CCc1nnc[nH]1)N1CC2(C1)CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C2 ZINC001018916010 728702367 /nfs/dbraw/zinc/70/23/67/728702367.db2.gz CWQFNSNCQGWXFV-GHMZBOCLSA-N 0 3 348.363 -0.537 20 5 EBBDHN O=C(CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC1[N+](=O)[O-])N1CCCCC1 ZINC001025775266 730086331 /nfs/dbraw/zinc/08/63/31/730086331.db2.gz JOOAOOWFTAPCPV-VVSAWPALSA-N 0 3 336.392 -0.290 20 5 EBBDHN O=C(CCc1nnc[nH]1)NC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1 ZINC001062989322 739038335 /nfs/dbraw/zinc/03/83/35/739038335.db2.gz ZEXZVKTZFYJECX-NXEZZACHSA-N 0 3 336.352 -0.442 20 5 EBBDHN O=C([C@@H]1CC1[N+](=O)[O-])N1CCCN(CCN2CCNC2=O)CC1 ZINC000981138691 806091627 /nfs/dbraw/zinc/09/16/27/806091627.db2.gz YMNVXOXODRRLKF-VXGBXAGGSA-N 0 3 325.369 -0.789 20 5 EBBDHN Cc1nccn1CC(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000978803234 804986893 /nfs/dbraw/zinc/98/68/93/804986893.db2.gz HFCQDRDMUUYNQT-YVECIDJPSA-N 0 3 335.364 -0.132 20 5 EBBDHN Cc1cncn1CC(=O)N[C@H]1C[C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000979747155 805526446 /nfs/dbraw/zinc/52/64/46/805526446.db2.gz JPTOPGMSKJJLMS-FDYHWXHSSA-N 0 3 335.364 -0.132 20 5 EBBDHN CN(CCCN1CCN(C)CC1)C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC001251771584 812632907 /nfs/dbraw/zinc/63/29/07/812632907.db2.gz JMASSNBHOGOHTI-UHFFFAOYSA-N 0 3 325.373 -0.718 20 5 EBBDHN Cc1ncc([N+](=O)[O-])n1CC(=O)N1CC(CN2CCN(C)CC2)C1 ZINC001119896925 827158789 /nfs/dbraw/zinc/15/87/89/827158789.db2.gz UMXZPEBVSQEEHN-UHFFFAOYSA-N 0 3 336.396 -0.194 20 5 EBBDHN NC(=O)Cn1cc(C(=O)NCCNCc2ccc([N+](=O)[O-])cc2)nn1 ZINC001152409318 831159553 /nfs/dbraw/zinc/15/95/53/831159553.db2.gz FLXAZYIUCSXLDN-UHFFFAOYSA-N 0 3 347.335 -0.809 20 5 EBBDHN O=C(CN1C(=O)CNC1=O)NCCCNCc1ccccc1[N+](=O)[O-] ZINC001175567044 832631117 /nfs/dbraw/zinc/63/11/17/832631117.db2.gz GZIOGFCURIKGLT-UHFFFAOYSA-N 0 3 349.347 -0.258 20 5 EBBDHN CC(=O)NCC(=O)N1CCC(NCc2c([N+](=O)[O-])ncn2C)CC1 ZINC001199130977 835770594 /nfs/dbraw/zinc/77/05/94/835770594.db2.gz VQKVOOXWSIEEBU-UHFFFAOYSA-N 0 3 338.368 -0.455 20 5 EBBDHN O=C1NC2(CO1)CCN(C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)CC2 ZINC001342230284 843151050 /nfs/dbraw/zinc/15/10/50/843151050.db2.gz ZRPOOAQSNAORLP-LLVKDONJSA-N 0 3 325.325 -0.273 20 5 EBBDHN O=C(CCc1nnc[nH]1)N(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1 ZINC001356610766 1130883785 /nfs/dbraw/zinc/88/37/85/1130883785.db2.gz BIEPHUOOBAEONH-GHMZBOCLSA-N 0 3 336.352 -0.490 20 5 EBBDHN O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)N1CCOC2(CNC2)C1 ZINC000596098613 378052516 /nfs/dbraw/zinc/05/25/16/378052516.db2.gz SDWZSDXCHLFYPY-UHFFFAOYSA-N 0 3 348.359 -0.085 20 5 EBBDHN CS(=O)(=O)NCCNC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000567492698 378109207 /nfs/dbraw/zinc/10/92/07/378109207.db2.gz NGKPXORINQRGCW-SNVBAGLBSA-N 0 3 333.366 -0.527 20 5 EBBDHN CN(C)CCN(CC(=O)N(C)C)C(=O)c1c([N+](=O)[O-])cnn1C ZINC000598188623 378160094 /nfs/dbraw/zinc/16/00/94/378160094.db2.gz VSUPRDCVDUXBRZ-UHFFFAOYSA-N 0 3 326.357 -0.580 20 5 EBBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2C[C@@H](CO)[C@H](CO)C2)c1 ZINC000599531376 378255733 /nfs/dbraw/zinc/25/57/33/378255733.db2.gz VDMAHOPLAGSWET-SGMGOOAPSA-N 0 3 326.349 -0.133 20 5 EBBDHN C[C@@H](N)C(=O)NCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000261743709 154200427 /nfs/dbraw/zinc/20/04/27/154200427.db2.gz GSMBKDGUGOLILT-MRVPVSSYSA-N 0 3 330.366 -0.126 20 5 EBBDHN C[C@@H]([NH3+])CC(=O)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000261925068 154206317 /nfs/dbraw/zinc/20/63/17/154206317.db2.gz YCYBZXSXWUDWHQ-SECBINFHSA-N 0 3 330.366 -0.273 20 5 EBBDHN C[C@H](N)C(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000262222785 154218825 /nfs/dbraw/zinc/21/88/25/154218825.db2.gz MZVGYVFVSLLFGF-JTQLQIEISA-N 0 3 342.377 -0.225 20 5 EBBDHN CN1CCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])[C@@H](CN)C1 ZINC000319294504 418999843 /nfs/dbraw/zinc/99/98/43/418999843.db2.gz HWVLVBIORFWNHM-VIFPVBQESA-N 0 3 332.357 -0.003 20 5 EBBDHN CN(C)[C@H]1CN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H]1O ZINC000518061594 419273952 /nfs/dbraw/zinc/27/39/52/419273952.db2.gz ASBGVHNTORPHSA-QEJZJMRPSA-N 0 3 325.365 -0.059 20 5 EBBDHN C[NH2+]C[C@H](C)CNC(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000422826446 420921983 /nfs/dbraw/zinc/92/19/83/420921983.db2.gz LNLANCAZHXFWRK-JTQLQIEISA-N 0 3 344.393 -0.155 20 5 EBBDHN CN1CCC(O)(CNC(=O)NCCn2cc([N+](=O)[O-])cn2)CC1 ZINC000426973574 265101977 /nfs/dbraw/zinc/10/19/77/265101977.db2.gz KVEUMMWJLUFRRI-UHFFFAOYSA-N 0 3 326.357 -0.453 20 5 EBBDHN CC(C)NS(=O)(=O)CCNC[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000514788877 272883964 /nfs/dbraw/zinc/88/39/64/272883964.db2.gz PMCXYIFCMPZULC-LLVKDONJSA-N 0 3 335.386 -0.930 20 5 EBBDHN O=C(c1ccc(-n2cncn2)c([N+](=O)[O-])c1)N1CCOC2(CNC2)C1 ZINC000596099281 545967311 /nfs/dbraw/zinc/96/73/11/545967311.db2.gz RAOYCCKHXNDGOG-UHFFFAOYSA-N 0 3 344.331 -0.010 20 5 EBBDHN COC(=O)C[C@]1(NC[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCCOC1 ZINC000770711384 583340980 /nfs/dbraw/zinc/34/09/80/583340980.db2.gz VCAQMPZZTGXCPG-GXTWGEPZSA-N 0 3 342.352 -0.146 20 5 EBBDHN Cc1cc(C(=O)OCC(C)[N+](=O)[O-])nc2c1c(=O)n(C)c(=O)n2C ZINC000813114661 583698024 /nfs/dbraw/zinc/69/80/24/583698024.db2.gz FHYYXJGVICTHGM-MRVPVSSYSA-N 0 3 336.304 -0.237 20 5 EBBDHN Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)OCC(C)[N+](=O)[O-] ZINC000813102797 583698028 /nfs/dbraw/zinc/69/80/28/583698028.db2.gz VTAXGCQZFBBHOC-VXNVDRBHSA-N 0 3 348.381 -0.088 20 5 EBBDHN Cc1c(C(=O)OCC(C)[N+](=O)[O-])cnc2c1c(=O)n(C)c(=O)n2C ZINC000813113010 583698073 /nfs/dbraw/zinc/69/80/73/583698073.db2.gz NVPARSIMGNDFBH-SSDOTTSWSA-N 0 3 336.304 -0.237 20 5 EBBDHN O=C(NC1CNC1)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000842234133 584061640 /nfs/dbraw/zinc/06/16/40/584061640.db2.gz BEMGLZPXZFJXRR-UHFFFAOYSA-N 0 3 333.348 -0.669 20 5 EBBDHN CN1CCNC[C@H]1C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000912364333 650203838 /nfs/dbraw/zinc/20/38/38/650203838.db2.gz HRYTUVUXVFLHKN-ZDUSSCGKSA-N 0 3 334.380 -0.458 20 5 EBBDHN Cc1nccn1CC(=O)N1CCC(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000946807253 653235873 /nfs/dbraw/zinc/23/58/73/653235873.db2.gz WFVFFHNCJPYEDQ-CHWSQXEVSA-N 0 3 335.364 -0.036 20 5 EBBDHN O=C(N[C@H]1C[C@H](NCc2ncnn2CC(F)F)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001020139056 729081866 /nfs/dbraw/zinc/08/18/66/729081866.db2.gz ONITZDHHKZBWEU-ZYUZMQFOSA-N 0 3 344.322 -0.055 20 5 EBBDHN Cc1nnc(CC(=O)N[C@H]2C[C@@H](NCc3c([N+](=O)[O-])ncn3C)C2)[nH]1 ZINC001022055446 729355500 /nfs/dbraw/zinc/35/55/00/729355500.db2.gz PMEBDRKEWVDZRQ-AOOOYVTPSA-N 0 3 348.367 -0.266 20 5 EBBDHN CN(CCCNC(=O)[C@@H]1CC1[N+](=O)[O-])CC(=O)NCC(F)(F)F ZINC001265845173 813383697 /nfs/dbraw/zinc/38/36/97/813383697.db2.gz FRYCXWABJGZKLG-RKDXNWHRSA-N 0 3 340.302 -0.232 20 5 EBBDHN CC(C)N1C(=O)C[C@@H](NC[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1=O ZINC001120469276 827229503 /nfs/dbraw/zinc/22/95/03/827229503.db2.gz RUHOJNCZIOOROX-WDEREUQCSA-N 0 3 325.325 -0.722 20 5 EBBDHN CC(COC(=O)C1CCN(c2ccc3nnnn3n2)CC1)[N+](=O)[O-] ZINC001122969178 827673715 /nfs/dbraw/zinc/67/37/15/827673715.db2.gz ZTTWQLWRVSGIJX-VIFPVBQESA-N 0 3 335.324 -0.056 20 5 EBBDHN Cc1nn(CC(=O)NCCNCc2ccc([N+](=O)[O-])cc2)c(=O)n1C ZINC001149571293 830698485 /nfs/dbraw/zinc/69/84/85/830698485.db2.gz XEZDYYOTIFAEBW-UHFFFAOYSA-N 0 3 348.363 -0.296 20 5 EBBDHN Cn1cnc([N+](=O)[O-])c1CNCCCNC(=O)c1ccc(=O)[nH]n1 ZINC001154382253 831330212 /nfs/dbraw/zinc/33/02/12/831330212.db2.gz DWERWTPNPKPJNI-UHFFFAOYSA-N 0 3 335.324 -0.266 20 5 EBBDHN CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N(C)S(=O)(=O)CCN)n1 ZINC001156240598 831463438 /nfs/dbraw/zinc/46/34/38/831463438.db2.gz SGMGQDCIGUTXAB-UHFFFAOYSA-N 0 3 332.342 -0.624 20 5 EBBDHN O=c1[nH][n-]cc1CCCNc1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001156278748 831466275 /nfs/dbraw/zinc/46/62/75/831466275.db2.gz QGNQKHBJXWFDPS-SNVBAGLBSA-N 0 3 348.367 -0.282 20 5 EBBDHN CCNC(=O)CC(=O)NCCCNCc1c([N+](=O)[O-])ncn1C ZINC001156857511 831507715 /nfs/dbraw/zinc/50/77/15/831507715.db2.gz RQQPWXUVJISNJP-UHFFFAOYSA-N 0 3 326.357 -0.550 20 5 EBBDHN Cn1cnc([N+](=O)[O-])c1CNCCCNC(=O)c1cc(C(N)=O)c[nH]1 ZINC001169305550 832457432 /nfs/dbraw/zinc/45/74/32/832457432.db2.gz BSMOXGNPJFIFLU-UHFFFAOYSA-N 0 3 349.351 -0.335 20 5 EBBDHN O=C(NC[C@H]1CNCCO1)C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001328769836 840747815 /nfs/dbraw/zinc/74/78/15/840747815.db2.gz FHYQVEGGKFQXNB-CYBMUJFWSA-N 0 3 334.332 -0.458 20 5 EBBDHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000408074882 376304427 /nfs/dbraw/zinc/30/44/27/376304427.db2.gz SBELQWGJZPHJSY-NSHDSACASA-N 0 3 336.352 -0.304 20 5 EBBDHN COC[C@@H](O)CNCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000584286345 376532284 /nfs/dbraw/zinc/53/22/84/376532284.db2.gz IUTJZQSPPSGQDP-NSHDSACASA-N 0 3 333.366 -0.530 20 5 EBBDHN O=C(Cn1cc([N+](=O)[O-])ccc1=O)N[C@@H](CO)CN1CCCCC1 ZINC000288458339 376640510 /nfs/dbraw/zinc/64/05/10/376640510.db2.gz JTXZILZWNKLEKB-GFCCVEGCSA-N 0 3 338.364 -0.281 20 5 EBBDHN CN(C)C[C@@H](CO)NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000590369301 377478706 /nfs/dbraw/zinc/47/87/06/377478706.db2.gz BOPKXBQLGSTLID-JTQLQIEISA-N 0 3 334.336 -0.172 20 5 EBBDHN COC(=O)[C@@H]1C[C@@H](O)CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000592195985 377803343 /nfs/dbraw/zinc/80/33/43/377803343.db2.gz IVOAOFFGNFJJNG-YUSALJHKSA-N 0 3 328.325 -0.992 20 5 EBBDHN O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCCN2CC[NH2+]CC2)nc1 ZINC000595111876 377976073 /nfs/dbraw/zinc/97/60/73/377976073.db2.gz VTWFAKOWEHZGIY-UHFFFAOYSA-N 0 3 329.382 -0.437 20 5 EBBDHN CN(C)[C@H]1CN(c2ncnc(N3CCOCC3)c2[N+](=O)[O-])C[C@@H]1O ZINC000598628091 378174356 /nfs/dbraw/zinc/17/43/56/378174356.db2.gz ZIYYQBKLFPTUDM-QWRGUYRKSA-N 0 3 338.368 -0.668 20 5 EBBDHN CC(C)(C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)n1cc([N+](=O)[O-])cn1 ZINC000569002094 378444983 /nfs/dbraw/zinc/44/49/83/378444983.db2.gz XCZWDPYBZJNVIP-KOLCDFICSA-N 0 3 336.352 -0.703 20 5 EBBDHN [NH3+]C1CCN(C(=O)C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000570093578 378508582 /nfs/dbraw/zinc/50/85/82/378508582.db2.gz WLVSSJLQPJXHFN-UHFFFAOYSA-N 0 3 342.377 -0.177 20 5 EBBDHN COc1ccc(C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000563438729 379020212 /nfs/dbraw/zinc/02/02/12/379020212.db2.gz QLZUJAFAPYDFJN-GHMZBOCLSA-N 0 3 334.332 -0.013 20 5 EBBDHN [NH3+]CCNC(=O)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000417701792 379327487 /nfs/dbraw/zinc/32/74/87/379327487.db2.gz OCDSMMZPVKKQQO-UHFFFAOYSA-N 0 3 331.354 -0.869 20 5 EBBDHN C[NH+](C)CCCNC(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000350901338 379580629 /nfs/dbraw/zinc/58/06/29/379580629.db2.gz ZWNRHHLWQXHRLH-UHFFFAOYSA-N 0 3 344.393 -0.059 20 5 EBBDHN Cn1cc(CN2CCC[C@@H](C(=O)N3CCNCC3)C2)c([N+](=O)[O-])n1 ZINC000603428359 379684425 /nfs/dbraw/zinc/68/44/25/379684425.db2.gz ITKCRQWJRHOXGS-GFCCVEGCSA-N 0 3 336.396 -0.028 20 5 EBBDHN [NH3+][C@@H]1CCN(C(=O)C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000580647103 380807603 /nfs/dbraw/zinc/80/76/03/380807603.db2.gz YVKGZEHPXUSKGR-SECBINFHSA-N 0 3 328.350 -0.567 20 5 EBBDHN NC(=O)[C@@H]1CC[C@@H](CNC[C@@H](O)COc2cccc([N+](=O)[O-])c2)O1 ZINC000581365167 381069469 /nfs/dbraw/zinc/06/94/69/381069469.db2.gz HTHFCJQPEJDEQV-XBFCOCLRSA-N 0 3 339.348 -0.043 20 5 EBBDHN NC(=O)[C@@H]1CC[C@@H](CNC[C@H](O)COc2ccccc2[N+](=O)[O-])O1 ZINC000580828941 381038012 /nfs/dbraw/zinc/03/80/12/381038012.db2.gz RYVSWCAOYWNZBR-MJVIPROJSA-N 0 3 339.348 -0.043 20 5 EBBDHN CN1CCC[C@H]1C(=O)N1CCN(c2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000151623162 381464896 /nfs/dbraw/zinc/46/48/96/381464896.db2.gz DLRNJPAECHUMDN-JTQLQIEISA-N 0 3 335.368 -0.290 20 5 EBBDHN COCCN(C)CCCNC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000299537621 155161094 /nfs/dbraw/zinc/16/10/94/155161094.db2.gz SXCVEKYJQMRPLR-UHFFFAOYSA-N 0 3 326.353 -0.159 20 5 EBBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC[C@H]2CN2CCOCC2)c1 ZINC000247459989 154186730 /nfs/dbraw/zinc/18/67/30/154186730.db2.gz IGXAVEXDXCMGNE-ZFWWWQNUSA-N 0 3 339.396 -0.051 20 5 EBBDHN C[C@@H]1[C@H](N(C)CCO)CCN1C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000294540129 155061398 /nfs/dbraw/zinc/06/13/98/155061398.db2.gz GMFHCBNQZZBJDY-DGCLKSJQSA-N 0 3 338.364 -0.330 20 5 EBBDHN COC(=O)c1cc([N+](=O)[O-])cn(C[C@@H](O)CN(C)C2CC2)c1=O ZINC000357433120 157143667 /nfs/dbraw/zinc/14/36/67/157143667.db2.gz CRVBIVGCUWCISN-NSHDSACASA-N 0 3 325.321 -0.002 20 5 EBBDHN COC(=O)[C@H]1CSCCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000412087661 419141122 /nfs/dbraw/zinc/14/11/22/419141122.db2.gz WGKVUVXMJNQPML-PWSUYJOCSA-N 0 3 344.393 -0.010 20 5 EBBDHN NC(=O)[C@@H]1CCCN1C1CCN(c2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000301800444 420912488 /nfs/dbraw/zinc/91/24/88/420912488.db2.gz BXEIPBHNPAXIKI-JTQLQIEISA-N 0 3 335.368 -0.115 20 5 EBBDHN [NH3+][C@H]1CCCN(C(=O)C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000422693911 264970610 /nfs/dbraw/zinc/97/06/10/264970610.db2.gz RUFDQGMJRXSPEY-JTQLQIEISA-N 0 3 342.377 -0.177 20 5 EBBDHN CC(COC(=O)CCc1nc2c([nH]1)n(C)c(=O)[nH]c2=O)[N+](=O)[O-] ZINC000813104804 583697994 /nfs/dbraw/zinc/69/79/94/583697994.db2.gz RSTOKNBFUDZCHZ-ZCFIWIBFSA-N 0 3 325.281 -0.497 20 5 EBBDHN COC(=O)NC1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000852769363 584215767 /nfs/dbraw/zinc/21/57/67/584215767.db2.gz UDZVHKUPQPUDGG-LBPRGKRZSA-N 0 3 327.341 -0.027 20 5 EBBDHN Cc1nccn1CC(=O)NC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000946706627 653195770 /nfs/dbraw/zinc/19/57/70/653195770.db2.gz GHBANGOEWOINSI-CHWSQXEVSA-N 0 3 335.364 -0.036 20 5 EBBDHN Cc1cncn1CC(=O)N1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000941007507 653374941 /nfs/dbraw/zinc/37/49/41/653374941.db2.gz NXFHZCHTDYAVEO-CHWSQXEVSA-N 0 3 335.364 -0.082 20 5 EBBDHN COCc1noc(CNC2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1 ZINC000996429879 726392287 /nfs/dbraw/zinc/39/22/87/726392287.db2.gz WOBODUKDMKXFGC-GHMZBOCLSA-N 0 3 339.352 -0.038 20 5 EBBDHN Cn1cnc([N+](=O)[O-])c1CNC1CCN(C(=O)Cn2nccn2)CC1 ZINC000996626275 726420585 /nfs/dbraw/zinc/42/05/85/726420585.db2.gz WLQZOLVYPMSIBC-UHFFFAOYSA-N 0 3 348.367 -0.299 20 5 EBBDHN O=C(N[C@H]1C[C@@H](NCc2nnc3n2CCOC3)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001022063736 729451601 /nfs/dbraw/zinc/45/16/01/729451601.db2.gz KJVLKZUKTZSDAV-LMLFDSFASA-N 0 3 336.352 -0.790 20 5 EBBDHN CN(C)Cc1ccoc1C(=O)N1CC(NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000991292688 809248101 /nfs/dbraw/zinc/24/81/01/809248101.db2.gz HMDNXUKHCCAEBN-VXGBXAGGSA-N 0 3 336.348 -0.053 20 5 EBBDHN COC(=O)Cc1c(=O)[n-]cnc1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001230502197 812177624 /nfs/dbraw/zinc/17/76/24/812177624.db2.gz WDWXPGAKLOYHHG-SECBINFHSA-O 0 3 328.345 -0.740 20 5 EBBDHN Cc1n[n-]c(C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)c1[N+](=O)[O-] ZINC001318433016 822315611 /nfs/dbraw/zinc/31/56/11/822315611.db2.gz CDFBJQZSRJVRJZ-UHFFFAOYSA-N 0 3 338.368 -0.091 20 5 EBBDHN Cn1c(=O)[nH]cc(C(=O)NCCNCc2ccc([N+](=O)[O-])cc2)c1=O ZINC001132241570 829392350 /nfs/dbraw/zinc/39/23/50/829392350.db2.gz AXTQNRLILJGZFP-UHFFFAOYSA-N 0 3 347.331 -0.086 20 5 EBBDHN O=C(Cn1cnnn1)NCCCNCc1csc([N+](=O)[O-])c1 ZINC001154499368 831342546 /nfs/dbraw/zinc/34/25/46/831342546.db2.gz MBTIXNRTBYAQJD-UHFFFAOYSA-N 0 3 325.354 -0.061 20 5 EBBDHN CN(CCO)CCNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC001155250854 831395011 /nfs/dbraw/zinc/39/50/11/831395011.db2.gz DFFQVXQBKBQPGC-UHFFFAOYSA-N 0 3 334.336 -0.171 20 5 EBBDHN Cc1nnc(CC(=O)NCCCNCc2c([N+](=O)[O-])ncn2C)[nH]1 ZINC001157736321 831588219 /nfs/dbraw/zinc/58/82/19/831588219.db2.gz DXPWCQIKAGHCJI-UHFFFAOYSA-N 0 3 336.356 -0.407 20 5 EBBDHN CC(=O)NC(C)(C)C(=O)NCCCNCc1c([N+](=O)[O-])ncn1C ZINC001168481578 832422075 /nfs/dbraw/zinc/42/20/75/832422075.db2.gz WHGRFFIPOQKPGR-UHFFFAOYSA-N 0 3 340.384 -0.161 20 5 EBBDHN O=C(CN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)N1CCNCC1 ZINC001326392433 840098259 /nfs/dbraw/zinc/09/82/59/840098259.db2.gz ZKXOGSGOVIPESF-GFCCVEGCSA-N 0 3 334.380 -0.092 20 5 EBBDHN Cc1cc(CN2CCC(CO)(NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)ncn1 ZINC001328529145 840697771 /nfs/dbraw/zinc/69/77/71/840697771.db2.gz GXMXQBBUOHOXBM-ZIAGYGMSSA-N 0 3 349.391 -0.107 20 5 EBBDHN CC(C)Nc1nc(NCCO)nc(NCc2cccc([N+](=O)[O-])c2)n1 ZINC000557540882 375868529 /nfs/dbraw/zinc/86/85/29/375868529.db2.gz AKHKPDNLGADPAQ-UHFFFAOYSA-N 0 3 347.379 -0.118 20 5 EBBDHN C[C@@H](NC(=O)CCn1cc([N+](=O)[O-])cn1)C(=O)NCCN(C)C ZINC000560566888 376085770 /nfs/dbraw/zinc/08/57/70/376085770.db2.gz QWLVMTPTFUOODL-SNVBAGLBSA-N 0 3 326.357 -0.636 20 5 EBBDHN CN(C)CCN1C[C@@H](C(=O)NCCn2cc([N+](=O)[O-])cn2)CC1=O ZINC000156982425 376245444 /nfs/dbraw/zinc/24/54/44/376245444.db2.gz BUIUNWKIAVMWKX-NSHDSACASA-N 0 3 338.368 -0.682 20 5 EBBDHN CN(C(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])[C@H]1CC[NH2+]C1 ZINC000570633440 377263261 /nfs/dbraw/zinc/26/32/61/377263261.db2.gz VIAWJGQGDHLHJN-JTQLQIEISA-N 0 3 342.377 -0.307 20 5 EBBDHN CC(C)(C)NS(=O)(=O)CCNC[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000591725128 377749319 /nfs/dbraw/zinc/74/93/19/377749319.db2.gz CXRFHHPXZDCXGN-NSHDSACASA-N 0 3 349.413 -0.540 20 5 EBBDHN NS(=O)(=O)c1cccc(N2CCN3C[C@H](O)C[C@H]3C2)c1[N+](=O)[O-] ZINC000594604232 377944860 /nfs/dbraw/zinc/94/48/60/377944860.db2.gz UGRHOXTVCVXPPJ-VHSXEESVSA-N 0 3 342.377 -0.503 20 5 EBBDHN N[C@@H]1C[C@@H]2CN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CCN2C1=O ZINC000594876032 377965991 /nfs/dbraw/zinc/96/59/91/377965991.db2.gz ZTMGSWYBVFLXQA-ZYHUDNBSSA-N 0 3 340.361 -0.473 20 5 EBBDHN CN(C)C(=O)N(C)[C@H]1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000595826886 378028677 /nfs/dbraw/zinc/02/86/77/378028677.db2.gz PNHSOACLYIHHQQ-AAEUAGOBSA-N 0 3 340.384 -0.160 20 5 EBBDHN CN(C)C[C@H](CO)NC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598901732 378187112 /nfs/dbraw/zinc/18/71/12/378187112.db2.gz CXEUVBHVOMBFDC-LLVKDONJSA-N 0 3 339.352 -0.245 20 5 EBBDHN O=C1CN(CCNC[C@@H](O)COc2ccccc2[N+](=O)[O-])CCN1 ZINC000567711536 378187380 /nfs/dbraw/zinc/18/73/80/378187380.db2.gz GHWAVAACGALYEU-GFCCVEGCSA-N 0 3 338.364 -0.644 20 5 EBBDHN CN(CCC[N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-])CC[NH+](C)C ZINC000599316942 378222704 /nfs/dbraw/zinc/22/27/04/378222704.db2.gz RRTSMYOOPSMABH-UHFFFAOYSA-N 0 3 348.429 -0.510 20 5 EBBDHN CN(C)CC[N@H+](C)CCC[N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599316942 378222707 /nfs/dbraw/zinc/22/27/07/378222707.db2.gz RRTSMYOOPSMABH-UHFFFAOYSA-N 0 3 348.429 -0.510 20 5 EBBDHN CN(C)CC[N@@H+](C)CCC[N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599316942 378222711 /nfs/dbraw/zinc/22/27/11/378222711.db2.gz RRTSMYOOPSMABH-UHFFFAOYSA-N 0 3 348.429 -0.510 20 5 EBBDHN CC(C)(C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)n1cc([N+](=O)[O-])cn1 ZINC000569002096 378445332 /nfs/dbraw/zinc/44/53/32/378445332.db2.gz XCZWDPYBZJNVIP-ONGXEEELSA-N 0 3 336.352 -0.703 20 5 EBBDHN CCOC[C@H](O)CNCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000570443983 378510519 /nfs/dbraw/zinc/51/05/19/378510519.db2.gz HQNVQMGPSPKJGT-GFCCVEGCSA-N 0 3 347.393 -0.140 20 5 EBBDHN C[C@@H]1CN(CC(C)(C)O)CCN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000189422065 380907326 /nfs/dbraw/zinc/90/73/26/380907326.db2.gz RVDSFHAQAPHKDX-OCCSQVGLSA-N 0 3 341.412 -0.071 20 5 EBBDHN C[C@H](CC(N)=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000267266736 154369146 /nfs/dbraw/zinc/36/91/46/154369146.db2.gz RKXVFOIHBWFTOQ-SECBINFHSA-N 0 3 330.366 -0.273 20 5 EBBDHN C[C@@H](CNC(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])[NH+](C)C ZINC000294424303 155061199 /nfs/dbraw/zinc/06/11/99/155061199.db2.gz PXJKFHGLAVJUKP-JTQLQIEISA-N 0 3 344.393 -0.061 20 5 EBBDHN COC(=O)c1cc([N+](=O)[O-])cn(C[C@H](O)CN(C)C2CC2)c1=O ZINC000357433116 157143457 /nfs/dbraw/zinc/14/34/57/157143457.db2.gz CRVBIVGCUWCISN-LLVKDONJSA-N 0 3 325.321 -0.002 20 5 EBBDHN CN(C)CCNC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000357612247 157160885 /nfs/dbraw/zinc/16/08/85/157160885.db2.gz JIHMMYGMVJUTBK-UHFFFAOYSA-N 0 3 344.393 -0.059 20 5 EBBDHN CN(C)CCN(CCN(C)C)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000533184978 420930733 /nfs/dbraw/zinc/93/07/33/420930733.db2.gz CZIBWEIRZJGJCO-UHFFFAOYSA-N 0 3 341.416 -0.074 20 5 EBBDHN CC1C(=O)N(C)S(=O)(=O)N1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000282910099 420937168 /nfs/dbraw/zinc/93/71/68/420937168.db2.gz FOWYJBJGDZUYAW-ZETCQYMHSA-N 0 3 342.333 -0.399 20 5 EBBDHN COCCNCCNC(=O)CNC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000423467023 265007238 /nfs/dbraw/zinc/00/72/38/265007238.db2.gz ADZMOMRTAPVFGO-UHFFFAOYSA-N 0 3 338.364 -0.015 20 5 EBBDHN CC[C@H]([NH3+])CNC(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000423672651 265030073 /nfs/dbraw/zinc/03/00/73/265030073.db2.gz FCXCXBSMVIBGMX-VIFPVBQESA-N 0 3 330.366 -0.273 20 5 EBBDHN N[C@@H]1C[C@@H]1C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000424115584 265048403 /nfs/dbraw/zinc/04/84/03/265048403.db2.gz VSCFJKQODHYZGG-WDEREUQCSA-N 0 3 328.350 -0.664 20 5 EBBDHN O=C(Cn1cc([N+](=O)[O-])ccc1=O)NC[C@H](O)CN1CCCCC1 ZINC000434447499 265204125 /nfs/dbraw/zinc/20/41/25/265204125.db2.gz BKQVNHBTTRFFMA-ZDUSSCGKSA-N 0 3 338.364 -0.281 20 5 EBBDHN C[NH+](C)C[C@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CCO1 ZINC000736758628 582953989 /nfs/dbraw/zinc/95/39/89/582953989.db2.gz HLSSVTOUCCMWNH-JTQLQIEISA-N 0 3 334.340 -0.063 20 5 EBBDHN CCNCC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000818434921 583743255 /nfs/dbraw/zinc/74/32/55/583743255.db2.gz KPTVWTBCTURHNF-UHFFFAOYSA-N 0 3 330.366 -0.401 20 5 EBBDHN CC(C)(C)S(=O)(=O)CCNC[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000819061039 583754407 /nfs/dbraw/zinc/75/44/07/583754407.db2.gz NHDZWXUJSGFAFI-LLVKDONJSA-N 0 3 334.398 -0.045 20 5 EBBDHN Cc1nccn1CC(=O)N1CC2(C1)CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C2 ZINC001019041570 728780337 /nfs/dbraw/zinc/78/03/37/728780337.db2.gz BLBQXFKOAJTJHI-CHWSQXEVSA-N 0 3 347.375 -0.082 20 5 EBBDHN CN(C)c1ccncc1C(=O)NC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000996497596 726405901 /nfs/dbraw/zinc/40/59/01/726405901.db2.gz IMPCUDFSZZTGRK-ZWNOBZJWSA-N 0 3 333.348 -0.247 20 5 EBBDHN CC(C)(C)n1nnnc1CN[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001020139166 729081779 /nfs/dbraw/zinc/08/17/79/729081779.db2.gz UONHHBPKKZTFOW-GWOFURMSSA-N 0 3 337.384 -0.170 20 5 EBBDHN Cn1cnc([N+](=O)[O-])c1CN[C@H]1C[C@@H](NC(=O)Cc2nc[nH]n2)C1 ZINC001022953221 729561246 /nfs/dbraw/zinc/56/12/46/729561246.db2.gz KQNAIPKSNYYYBW-DTORHVGOSA-N 0 3 334.340 -0.574 20 5 EBBDHN CN(C(=O)CN1CCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1)C1CC1 ZINC001072721434 741465622 /nfs/dbraw/zinc/46/56/22/741465622.db2.gz RNHJKLGFWNERQK-CHWSQXEVSA-N 0 3 336.392 -0.193 20 5 EBBDHN CN1CCN(CC2CN(c3ncc([N+](=O)[O-])cc3C(N)=O)C2)CC1 ZINC001261791414 812984220 /nfs/dbraw/zinc/98/42/20/812984220.db2.gz PXILRNWTGLEEEW-UHFFFAOYSA-N 0 3 334.380 -0.228 20 5 EBBDHN CCCn1nnnc1CN[C@H]1C[C@@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001086084097 816225878 /nfs/dbraw/zinc/22/58/78/816225878.db2.gz CIVXOSRHINPRIH-WRWGMCAJSA-N 0 3 337.384 -0.267 20 5 EBBDHN O=C(NC[C@H]1C[C@H](NCc2ncnn2CCF)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001086363261 816307626 /nfs/dbraw/zinc/30/76/26/816307626.db2.gz KGUMXPDNJDSXIL-DDHJBXDOSA-N 0 3 340.359 -0.103 20 5 EBBDHN Cc1nccnc1CN1CCC(CO)(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001274910475 817116440 /nfs/dbraw/zinc/11/64/40/817116440.db2.gz MCLHJWMQSGPZJE-TZMCWYRMSA-N 0 3 349.391 -0.107 20 5 EBBDHN NC(=O)C(=O)N1CCC(O)(CNCc2ccccc2[N+](=O)[O-])CC1 ZINC001281627149 818237672 /nfs/dbraw/zinc/23/76/72/818237672.db2.gz NDXPDNPZVQQKPB-UHFFFAOYSA-N 0 3 336.348 -0.477 20 5 EBBDHN Cc1cc([N+](=O)[O-])cc(C(=O)NCCN(C)CCOCCO)n1 ZINC001303017173 821753673 /nfs/dbraw/zinc/75/36/73/821753673.db2.gz WIDJOGLQJWGMAC-UHFFFAOYSA-N 0 3 326.353 -0.031 20 5 EBBDHN COCCCN1CCNC(=O)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001131354281 829108504 /nfs/dbraw/zinc/10/85/04/829108504.db2.gz XPXMDSKSUPRVNL-CHWSQXEVSA-N 0 3 342.396 -0.661 20 5 EBBDHN O=C(CN1C(=O)CNC1=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001150331135 830864039 /nfs/dbraw/zinc/86/40/39/830864039.db2.gz GGJKLZKOGDEBDM-UHFFFAOYSA-N 0 3 335.320 -0.648 20 5 EBBDHN CCC(=O)NCC(=O)NCCCNCc1c([N+](=O)[O-])ncn1C ZINC001155802221 831430903 /nfs/dbraw/zinc/43/09/03/831430903.db2.gz ISEWOJBVJPPWHF-UHFFFAOYSA-N 0 3 326.357 -0.550 20 5 EBBDHN CCCCn1nnnc1CNCCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001157774996 831591764 /nfs/dbraw/zinc/59/17/64/831591764.db2.gz GIXALOVMPOOFTL-GHMZBOCLSA-N 0 3 325.373 -0.266 20 5 EBBDHN Cn1cnc([N+](=O)[O-])c1CNCCCNC(=O)c1cn[nH]c(=O)c1 ZINC001160499245 831856657 /nfs/dbraw/zinc/85/66/57/831856657.db2.gz ALWNYXQNBOMIIR-UHFFFAOYSA-N 0 3 335.324 -0.266 20 5 EBBDHN Cn1cnc([N+](=O)[O-])c1CNCCCNC(=O)c1cn(C)c(=O)[nH]1 ZINC001165837609 832239643 /nfs/dbraw/zinc/23/96/43/832239643.db2.gz LSYWIDRROWSHBQ-UHFFFAOYSA-N 0 3 337.340 -0.323 20 5 EBBDHN COc1ccc([N+](=O)[O-])c(C[C@H](C)NC(CO)(CO)CO)c1F ZINC001173176379 832583726 /nfs/dbraw/zinc/58/37/26/832583726.db2.gz GWSFWDVMOOEXFJ-VIFPVBQESA-N 0 3 332.328 -0.021 20 5 EBBDHN CNC(=O)NC[C@@H]1CCCCN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001175361371 832622385 /nfs/dbraw/zinc/62/23/85/832622385.db2.gz HPKPDNIVMZJYQK-WCQYABFASA-N 0 3 340.384 -0.064 20 5 EBBDHN Cn1cnc([N+](=O)[O-])c1CNCCCNC(=O)c1ccc(=O)n(C)n1 ZINC001175409914 832624649 /nfs/dbraw/zinc/62/46/49/832624649.db2.gz ZGBXMDIKGMCDSK-UHFFFAOYSA-N 0 3 349.351 -0.668 20 5 EBBDHN CN1CCN(CCNC(=O)Cn2cnc([N+](=O)[O-])n2)CC1(C)C ZINC001321354382 838968952 /nfs/dbraw/zinc/96/89/52/838968952.db2.gz DWTNIKOMBXFZQF-UHFFFAOYSA-N 0 3 325.373 -0.672 20 5 EBBDHN O=C1NCC2(CCN(C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)O1 ZINC001335646369 842324291 /nfs/dbraw/zinc/32/42/91/842324291.db2.gz VWZBXCBCTNASNR-LLVKDONJSA-N 0 3 325.325 -0.273 20 5 EBBDHN COc1cc(C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000577652028 375891815 /nfs/dbraw/zinc/89/18/15/375891815.db2.gz ZBVFNLAOLVOFHN-GHMZBOCLSA-N 0 3 334.332 -0.013 20 5 EBBDHN COc1cc(C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000577652029 375892044 /nfs/dbraw/zinc/89/20/44/375892044.db2.gz ZBVFNLAOLVOFHN-MNOVXSKESA-N 0 3 334.332 -0.013 20 5 EBBDHN CN(C(=O)CN1CCN2C(=O)[C@@H](N)C[C@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000570412252 377244034 /nfs/dbraw/zinc/24/40/34/377244034.db2.gz WYXCQIMHNMPNKT-KBPBESRZSA-N 0 3 347.375 -0.199 20 5 EBBDHN CS(=O)(=O)N1CCC[C@@H]1CNC[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000566063770 377467427 /nfs/dbraw/zinc/46/74/27/377467427.db2.gz LSMZYHUGNUUEMW-PWSUYJOCSA-N 0 3 347.397 -0.834 20 5 EBBDHN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@H](CO)CN(C)C ZINC000590369798 377478358 /nfs/dbraw/zinc/47/83/58/377478358.db2.gz NLWVCGXYHSIBHK-QWRGUYRKSA-N 0 3 342.400 -0.134 20 5 EBBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC[C@@H](N3CCOCC3)C2)c1 ZINC000566425561 377532154 /nfs/dbraw/zinc/53/21/54/377532154.db2.gz FBXSHMAHKCPAHA-UKRRQHHQSA-N 0 3 339.396 -0.051 20 5 EBBDHN O=C(CNC[C@H](O)COc1ccccc1[N+](=O)[O-])N1CCOCC1 ZINC000591758652 377752783 /nfs/dbraw/zinc/75/27/83/377752783.db2.gz GWZKFCIPQDMYIB-LBPRGKRZSA-N 0 3 339.348 -0.217 20 5 EBBDHN CCCc1n[nH]c(C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c1[N+](=O)[O-] ZINC000594878993 377966063 /nfs/dbraw/zinc/96/60/63/377966063.db2.gz QSMGQWVTEGRUQV-BDAKNGLRSA-N 0 3 336.352 -0.346 20 5 EBBDHN CCCc1[nH]nc(C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c1[N+](=O)[O-] ZINC000594878993 377966068 /nfs/dbraw/zinc/96/60/68/377966068.db2.gz QSMGQWVTEGRUQV-BDAKNGLRSA-N 0 3 336.352 -0.346 20 5 EBBDHN CCOC(=O)c1ccnc(N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c1[N+](=O)[O-] ZINC000567179467 377988303 /nfs/dbraw/zinc/98/83/03/377988303.db2.gz GTIRWMBEJRKNFV-KOLCDFICSA-N 0 3 349.347 -0.085 20 5 EBBDHN NS(=O)(=O)c1ccc(N2CCN3C[C@H](O)C[C@H]3C2)cc1[N+](=O)[O-] ZINC000596299193 378058945 /nfs/dbraw/zinc/05/89/45/378058945.db2.gz PCHZCAWGSMPOIS-WDEREUQCSA-N 0 3 342.377 -0.503 20 5 EBBDHN CN(C)CCN(CC(=O)N(C)C)C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000598187673 378159922 /nfs/dbraw/zinc/15/99/22/378159922.db2.gz RHCPARNRILYGHD-UHFFFAOYSA-N 0 3 326.357 -0.730 20 5 EBBDHN NCCN(CCO)C(=O)C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000419165280 379338727 /nfs/dbraw/zinc/33/87/27/379338727.db2.gz NGCHAIHJFZZLPG-UHFFFAOYSA-N 0 3 344.755 -0.356 20 5 EBBDHN COCCN1CCC(NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000354477126 379708813 /nfs/dbraw/zinc/70/88/13/379708813.db2.gz JQXPVFKXKCWKMC-UHFFFAOYSA-N 0 3 338.364 -0.017 20 5 EBBDHN N[C@H]1C[C@H]2CN(CC(=O)Nc3ccccc3[N+](=O)[O-])CCN2C1=O ZINC000574292619 379949435 /nfs/dbraw/zinc/94/94/35/379949435.db2.gz PAZJAXHZNKTHDE-QWRGUYRKSA-N 0 3 333.348 -0.223 20 5 EBBDHN CN1CCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])[C@H](CN)C1 ZINC000124994685 379961485 /nfs/dbraw/zinc/96/14/85/379961485.db2.gz HWVLVBIORFWNHM-SECBINFHSA-N 0 3 332.357 -0.003 20 5 EBBDHN CC[C@H](N)C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000269063513 380213591 /nfs/dbraw/zinc/21/35/91/380213591.db2.gz YDHWAMNLTPTCGE-NSHDSACASA-N 0 3 330.366 -0.273 20 5 EBBDHN O=C(CNC[C@@H](O)COc1cccc([N+](=O)[O-])c1)N1CCOCC1 ZINC000574804262 380969849 /nfs/dbraw/zinc/96/98/49/380969849.db2.gz WBIPKIWWJIGCIP-CYBMUJFWSA-N 0 3 339.348 -0.217 20 5 EBBDHN CN(C)C[C@@]1(O)CCCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000619254522 381167168 /nfs/dbraw/zinc/16/71/68/381167168.db2.gz LTGCQYQRNWZLML-HNNXBMFYSA-N 0 3 338.364 -0.328 20 5 EBBDHN CN(C)C[C@]1(O)CCCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000619254523 381166321 /nfs/dbraw/zinc/16/63/21/381166321.db2.gz LTGCQYQRNWZLML-OAHLLOKOSA-N 0 3 338.364 -0.328 20 5 EBBDHN CNCC(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000262394557 154227787 /nfs/dbraw/zinc/22/77/87/154227787.db2.gz OQBYOAZFSRASHN-UHFFFAOYSA-N 0 3 342.377 -0.353 20 5 EBBDHN CN1CC[C@H]([NH+]2CCC(NC(=O)c3cc([N+](=O)[O-])n[n-]3)CC2)C1=O ZINC000425305271 265092043 /nfs/dbraw/zinc/09/20/43/265092043.db2.gz HVSJRBMKTVLRIT-NSHDSACASA-N 0 3 336.352 -0.257 20 5 EBBDHN O=C([C@@H]1CCCN(CCn2cc([N+](=O)[O-])cn2)C1)N1CCNCC1 ZINC000430613409 265150700 /nfs/dbraw/zinc/15/07/00/265150700.db2.gz WLQJRHNPGQXYTO-CYBMUJFWSA-N 0 3 336.396 -0.065 20 5 EBBDHN O=C(NC[C@@H]1CNCCO1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000517358434 545770612 /nfs/dbraw/zinc/77/06/12/545770612.db2.gz AGPZXBLZKSPXFY-NSHDSACASA-N 0 3 332.320 -0.106 20 5 EBBDHN COC(=O)C[C@@]1(NC[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCCOC1 ZINC000770711397 583341135 /nfs/dbraw/zinc/34/11/35/583341135.db2.gz VCAQMPZZTGXCPG-JSGCOSHPSA-N 0 3 342.352 -0.146 20 5 EBBDHN Cc1cc(C(=O)OCC(C)[N+](=O)[O-])nc2c1c(=O)n(C)c(=O)n2C ZINC000813114662 583698055 /nfs/dbraw/zinc/69/80/55/583698055.db2.gz FHYYXJGVICTHGM-QMMMGPOBSA-N 0 3 336.304 -0.237 20 5 EBBDHN CCN1C(=O)CO[C@H](C(=O)OCC(C)[N+](=O)[O-])[C@H]1c1nccn1C ZINC000860777667 584322133 /nfs/dbraw/zinc/32/21/33/584322133.db2.gz SKJLYAPAAMFHTC-DLOVCJGASA-N 0 3 340.336 -0.083 20 5 EBBDHN Cc1nccn1CC(=O)N1C[C@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@H]2C1 ZINC000961550360 723036742 /nfs/dbraw/zinc/03/67/42/723036742.db2.gz AECLZORRYBLGMN-XJFOESAGSA-N 0 3 347.375 -0.226 20 5 EBBDHN Cc1nccn1CC(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@H]21 ZINC000976543806 726342385 /nfs/dbraw/zinc/34/23/85/726342385.db2.gz YDDWKMUDSHHONR-DIACKHNESA-N 0 3 333.348 -0.570 20 5 EBBDHN CN(C(=O)Cc1c[nH]cn1)C1CN(Cc2c([N+](=O)[O-])ncn2C)C1 ZINC001043978372 733229006 /nfs/dbraw/zinc/22/90/06/733229006.db2.gz UOFNKEYTPLIKDL-UHFFFAOYSA-N 0 3 333.352 -0.063 20 5 EBBDHN O=C(NCC1(O)CCN(C(=O)c2ccn[nH]2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001074489095 741959803 /nfs/dbraw/zinc/95/98/03/741959803.db2.gz RDTONFWQGIPSIQ-MWLCHTKSSA-N 0 3 337.336 -0.842 20 5 EBBDHN Cc1cc(CC(=O)N[C@H]2C[C@@H](CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)n[nH]1 ZINC000978797771 804983651 /nfs/dbraw/zinc/98/36/51/804983651.db2.gz XQMLNGSYOISQPO-LYIQGSDWSA-N 0 3 335.364 -0.063 20 5 EBBDHN Cc1cc(CC(=O)N[C@H]2C[C@@H](CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)[nH]n1 ZINC000978797771 804983656 /nfs/dbraw/zinc/98/36/56/804983656.db2.gz XQMLNGSYOISQPO-LYIQGSDWSA-N 0 3 335.364 -0.063 20 5 EBBDHN Cc1cc(CC(=O)N[C@H]2C[C@H](CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)n[nH]1 ZINC000979740908 805523291 /nfs/dbraw/zinc/52/32/91/805523291.db2.gz XQMLNGSYOISQPO-FPQZTECRSA-N 0 3 335.364 -0.063 20 5 EBBDHN Cc1cc(CC(=O)N[C@H]2C[C@H](CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)[nH]n1 ZINC000979740908 805523296 /nfs/dbraw/zinc/52/32/96/805523296.db2.gz XQMLNGSYOISQPO-FPQZTECRSA-N 0 3 335.364 -0.063 20 5 EBBDHN CCN(C(=O)CCc1nnc[nH]1)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001079573329 811593633 /nfs/dbraw/zinc/59/36/33/811593633.db2.gz YGDLOAAYWBMBTN-GHMZBOCLSA-N 0 3 336.352 -0.538 20 5 EBBDHN O=C(NC1(CO)CCN(C(=O)c2ccn[nH]2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001080855602 812292019 /nfs/dbraw/zinc/29/20/19/812292019.db2.gz SVVORLVHCNCSBF-MWLCHTKSSA-N 0 3 337.336 -0.842 20 5 EBBDHN NC(=O)C(=O)NCC1(NCc2cccc([N+](=O)[O-])c2)CCOCC1 ZINC001271057501 815969744 /nfs/dbraw/zinc/96/97/44/815969744.db2.gz ZYHDJHMGEYXBGF-UHFFFAOYSA-N 0 3 336.348 -0.165 20 5 EBBDHN O=C(NC[C@H]1C[C@@H](NCc2ncnn2CCF)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001086082995 816224790 /nfs/dbraw/zinc/22/47/90/816224790.db2.gz KGUMXPDNJDSXIL-WRWGMCAJSA-N 0 3 340.359 -0.103 20 5 EBBDHN CC(C)N(C)CC(=O)NCCN(C)c1ncc([N+](=O)[O-])c(N)n1 ZINC001100149905 820298598 /nfs/dbraw/zinc/29/85/98/820298598.db2.gz VDBDPFUHHUNDBH-UHFFFAOYSA-N 0 3 325.373 -0.140 20 5 EBBDHN O=C(CN1CCNC(=O)C1)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001132317379 829410624 /nfs/dbraw/zinc/41/06/24/829410624.db2.gz FHMAUNNXOOCOKU-UHFFFAOYSA-N 0 3 335.364 -0.768 20 5 EBBDHN CNS(=O)(=O)CC(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001151373485 831065503 /nfs/dbraw/zinc/06/55/03/831065503.db2.gz PIRZTHBGGFRSKZ-UHFFFAOYSA-N 0 3 330.366 -0.650 20 5 EBBDHN Cc1c(C(=O)NCCCNCc2c([N+](=O)[O-])ncn2C)nnn1C ZINC001156107181 831454411 /nfs/dbraw/zinc/45/44/11/831454411.db2.gz NVOJCFVNPILSER-UHFFFAOYSA-N 0 3 336.356 -0.325 20 5 EBBDHN O=c1[nH][n-]cc1CCCNc1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001156278747 831466261 /nfs/dbraw/zinc/46/62/61/831466261.db2.gz QGNQKHBJXWFDPS-JTQLQIEISA-N 0 3 348.367 -0.282 20 5 EBBDHN O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)N1CC(N[C@@H]2CCOC2)C1 ZINC001157006404 831524293 /nfs/dbraw/zinc/52/42/93/831524293.db2.gz MIGCBTGVCIONRQ-GFCCVEGCSA-N 0 3 348.359 -0.086 20 5 EBBDHN Cn1cnc([N+](=O)[O-])c1CNCCCNC(=O)c1cn(C)c(=O)cn1 ZINC001162866674 832067888 /nfs/dbraw/zinc/06/78/88/832067888.db2.gz FDGHOQANFXVSPQ-UHFFFAOYSA-N 0 3 349.351 -0.668 20 5 EBBDHN CNC(=O)C1(C(=O)NCCCNCc2c([N+](=O)[O-])ncn2C)CC1 ZINC001168268878 832409130 /nfs/dbraw/zinc/40/91/30/832409130.db2.gz DKYZBNAWRFQWPO-UHFFFAOYSA-N 0 3 338.368 -0.550 20 5 EBBDHN CCN(CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)CCN1CCOCC1 ZINC001356050567 832596317 /nfs/dbraw/zinc/59/63/17/832596317.db2.gz DDHIROZLONHDNH-CHWSQXEVSA-N 0 3 342.396 -0.661 20 5 EBBDHN Cn1cnc([N+](=O)[O-])c1CNCCCNC(=O)Cn1ccccc1=O ZINC001175745278 832643332 /nfs/dbraw/zinc/64/33/32/832643332.db2.gz RSENFYGYGOFQKD-UHFFFAOYSA-N 0 3 348.363 -0.214 20 5 EBBDHN CN(CCNC(=O)c1[nH]nc([N+](=O)[O-])c1Cl)CCOCCO ZINC001175823434 832646876 /nfs/dbraw/zinc/64/68/76/832646876.db2.gz WGIRCZHLKVAVCG-UHFFFAOYSA-N 0 3 335.748 -0.358 20 5 EBBDHN CN(CCN(C)C1CC1)C(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC001323616887 839485307 /nfs/dbraw/zinc/48/53/07/839485307.db2.gz QAPLMAGFVQPOIE-UHFFFAOYSA-N 0 3 338.368 -0.540 20 5 EBBDHN Cn1cncc1CN1CCC(CO)(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001328529163 840697432 /nfs/dbraw/zinc/69/74/32/840697432.db2.gz HKIWLOGOSCWYQJ-CHWSQXEVSA-N 0 3 337.380 -0.472 20 5 EBBDHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000408074881 376304501 /nfs/dbraw/zinc/30/45/01/376304501.db2.gz SBELQWGJZPHJSY-LLVKDONJSA-N 0 3 336.352 -0.304 20 5 EBBDHN CC[C@H](CNS(C)(=O)=O)NC[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000570794722 377281208 /nfs/dbraw/zinc/28/12/08/377281208.db2.gz FVYJDXMZHDPGDZ-KOLCDFICSA-N 0 3 335.386 -0.930 20 5 EBBDHN O=C(C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])NC1CC[NH2+]CC1 ZINC000563146312 377431150 /nfs/dbraw/zinc/43/11/50/377431150.db2.gz SSEYFOUDABDTAU-UHFFFAOYSA-N 0 3 342.377 -0.259 20 5 EBBDHN CN(C)C[C@H](CO)NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000590548362 377634370 /nfs/dbraw/zinc/63/43/70/377634370.db2.gz AVACOWRJJBTTQF-LLVKDONJSA-N 0 3 334.336 -0.172 20 5 EBBDHN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC1CNC1 ZINC000591363462 377711742 /nfs/dbraw/zinc/71/17/42/377711742.db2.gz QWMAQOOPQNWTJR-UHFFFAOYSA-N 0 3 326.740 -0.005 20 5 EBBDHN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCN(C)C[C@@H]1CN ZINC000592477185 377838469 /nfs/dbraw/zinc/83/84/69/377838469.db2.gz SDOSQEGUCANOJM-FZMZJTMJSA-N 0 3 349.391 -0.186 20 5 EBBDHN Cc1nn(C)c(C(=O)N2CN(CCN(C)C)C(=O)[C@@H]2C)c1[N+](=O)[O-] ZINC000592877990 377857022 /nfs/dbraw/zinc/85/70/22/377857022.db2.gz BSVWNVDVROWPQW-JTQLQIEISA-N 0 3 338.368 -0.171 20 5 EBBDHN CCCc1n[nH]c(C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c1[N+](=O)[O-] ZINC000594879000 377966039 /nfs/dbraw/zinc/96/60/39/377966039.db2.gz QSMGQWVTEGRUQV-RKDXNWHRSA-N 0 3 336.352 -0.346 20 5 EBBDHN CCCc1[nH]nc(C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c1[N+](=O)[O-] ZINC000594879000 377966045 /nfs/dbraw/zinc/96/60/45/377966045.db2.gz QSMGQWVTEGRUQV-RKDXNWHRSA-N 0 3 336.352 -0.346 20 5 EBBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000571179954 378549513 /nfs/dbraw/zinc/54/95/13/378549513.db2.gz ZIENDJWDHJZQKZ-ZYHUDNBSSA-N 0 3 334.332 -0.013 20 5 EBBDHN Cc1ccc([C@@H](C)NC(=O)C(=O)N(CCN)CCO)cc1[N+](=O)[O-] ZINC000419277968 379340241 /nfs/dbraw/zinc/34/02/41/379340241.db2.gz VDANHYCYMLBXCL-LLVKDONJSA-N 0 3 338.364 -0.140 20 5 EBBDHN COc1cc(S(=O)(=O)NC[C@H]2CNCCO2)ccc1[N+](=O)[O-] ZINC000420481485 379354160 /nfs/dbraw/zinc/35/41/60/379354160.db2.gz RDTJHPZYJSFEKL-SECBINFHSA-N 0 3 331.350 -0.130 20 5 EBBDHN CNS(=O)(=O)CCNC[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000580640312 380805184 /nfs/dbraw/zinc/80/51/84/380805184.db2.gz BYRPANDDFQDCHK-LLVKDONJSA-N 0 3 333.366 -0.527 20 5 EBBDHN NC(=O)[C@]1(O)CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000276480394 380890022 /nfs/dbraw/zinc/89/00/22/380890022.db2.gz SADCLKSHZNTNGZ-RISCZKNCSA-N 0 3 325.321 -0.743 20 5 EBBDHN NC(=O)c1ccc(CN2CCN3C(=O)[C@@H](N)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000581321524 381071506 /nfs/dbraw/zinc/07/15/06/381071506.db2.gz OBTOLYVWOOBWCP-RYUDHWBXSA-N 0 3 333.348 -0.563 20 5 EBBDHN C[C@H]([NH3+])CC(=O)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000261925069 154206226 /nfs/dbraw/zinc/20/62/26/154206226.db2.gz YCYBZXSXWUDWHQ-VIFPVBQESA-N 0 3 330.366 -0.273 20 5 EBBDHN CNS(=O)(=O)c1ccc(NC[C@H]2CNCCO2)c([N+](=O)[O-])c1 ZINC000262121660 154213395 /nfs/dbraw/zinc/21/33/95/154213395.db2.gz KUCPGPLWEZEGRJ-SECBINFHSA-N 0 3 330.366 -0.097 20 5 EBBDHN CNS(=O)(=O)c1ccc(NC[C@@H]2CNCCO2)c([N+](=O)[O-])c1 ZINC000262121661 154213475 /nfs/dbraw/zinc/21/34/75/154213475.db2.gz KUCPGPLWEZEGRJ-VIFPVBQESA-N 0 3 330.366 -0.097 20 5 EBBDHN C[NH2+]CCCC(=O)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000262616014 154239572 /nfs/dbraw/zinc/23/95/72/154239572.db2.gz DCNFYCIHRXNLPW-UHFFFAOYSA-N 0 3 344.393 -0.011 20 5 EBBDHN O=C(NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])[C@H]1CC[NH2+]C1 ZINC000262639206 154241322 /nfs/dbraw/zinc/24/13/22/154241322.db2.gz OFUTUXAZDOWWIQ-JTQLQIEISA-N 0 3 342.377 -0.401 20 5 EBBDHN CNS(=O)(=O)c1ccc(NC[C@]2(O)CCN(C)C2)c([N+](=O)[O-])c1 ZINC000358332547 157233698 /nfs/dbraw/zinc/23/36/98/157233698.db2.gz UDOJHRFUWPBVPQ-CYBMUJFWSA-N 0 3 344.393 -0.019 20 5 EBBDHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)Nc3cccc([N+](=O)[O-])c3)CCN2C1=O ZINC000521463793 420896883 /nfs/dbraw/zinc/89/68/83/420896883.db2.gz DIUFZZJDDIVSDJ-VXGBXAGGSA-N 0 3 347.331 -0.696 20 5 EBBDHN N[C@H]1C[C@@H]2CN(C(=O)C(=O)Nc3cccc([N+](=O)[O-])c3)CCN2C1=O ZINC000521463790 420896999 /nfs/dbraw/zinc/89/69/99/420896999.db2.gz DIUFZZJDDIVSDJ-NEPJUHHUSA-N 0 3 347.331 -0.696 20 5 EBBDHN C[C@@H](CN1CCOCC1)N(C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000434711686 265211766 /nfs/dbraw/zinc/21/17/66/265211766.db2.gz QSMMGDGPNLDQJD-GXTWGEPZSA-N 0 3 327.385 -0.195 20 5 EBBDHN C[C@H](CN1CCOCC1)N(C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000434711688 265212653 /nfs/dbraw/zinc/21/26/53/265212653.db2.gz QSMMGDGPNLDQJD-OCCSQVGLSA-N 0 3 327.385 -0.195 20 5 EBBDHN COC(=O)C[C@]1(NC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCCOC1 ZINC000770711403 583341020 /nfs/dbraw/zinc/34/10/20/583341020.db2.gz VCAQMPZZTGXCPG-TZMCWYRMSA-N 0 3 342.352 -0.146 20 5 EBBDHN COC(=O)NC1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000852769361 584215795 /nfs/dbraw/zinc/21/57/95/584215795.db2.gz UDZVHKUPQPUDGG-GFCCVEGCSA-N 0 3 327.341 -0.027 20 5 EBBDHN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(C(=O)CCN2CCOCC2)C1 ZINC000954240648 719629636 /nfs/dbraw/zinc/62/96/36/719629636.db2.gz VELSWXJFHBNYNS-CHWSQXEVSA-N 0 3 340.380 -0.957 20 5 EBBDHN Cn1cnc([N+](=O)[O-])c1CNC1CCN(C(=O)c2cn[nH]n2)CC1 ZINC000996756021 726425462 /nfs/dbraw/zinc/42/54/62/726425462.db2.gz JKVAQEOILBKJCU-UHFFFAOYSA-N 0 3 334.340 -0.159 20 5 EBBDHN Cc1csc(=O)n1CCN(C)CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001266273712 813504225 /nfs/dbraw/zinc/50/42/25/813504225.db2.gz YYRSZPLTNRLWSO-GHMZBOCLSA-N 0 3 328.394 -0.069 20 5 EBBDHN CCCN(C)CC(=O)N[C@@H]1[C@H]2CN(c3ncc([N+](=O)[O-])c(N)n3)C[C@H]21 ZINC001097570494 819003960 /nfs/dbraw/zinc/00/39/60/819003960.db2.gz ARMAARXYHPPKLH-IWIIMEHWSA-N 0 3 349.395 -0.140 20 5 EBBDHN O=C(CCN1CCOCC1)NC/C=C\CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001285546507 819654413 /nfs/dbraw/zinc/65/44/13/819654413.db2.gz YHIWIKICSFSFBE-IKGCNYHESA-N 0 3 340.380 -0.838 20 5 EBBDHN O=C(Cn1ccc(=O)[nH]c1=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001130944314 828999465 /nfs/dbraw/zinc/99/94/65/828999465.db2.gz HTHKLRBAHLUHJG-UHFFFAOYSA-N 0 3 347.331 -0.237 20 5 EBBDHN O=C(NCCNCc1ccc([N+](=O)[O-])cc1)C1CC(=O)NC(=O)C1 ZINC001135269591 829935479 /nfs/dbraw/zinc/93/54/79/829935479.db2.gz OPKGWJQGMJOKPK-UHFFFAOYSA-N 0 3 334.332 -0.147 20 5 EBBDHN Cn1ncc([N+](=O)[O-])c1C(=O)NCC(=O)NCCN1CCCCC1 ZINC001157971323 831614776 /nfs/dbraw/zinc/61/47/76/831614776.db2.gz KGMIKWBNROSFFY-UHFFFAOYSA-N 0 3 338.368 -0.340 20 5 EBBDHN NC(=O)c1cc([N+](=O)[O-])cnc1NCc1nnn2c1CNCCC2 ZINC001162971960 832073687 /nfs/dbraw/zinc/07/36/87/832073687.db2.gz DCFAVULPDYIBCM-UHFFFAOYSA-N 0 3 332.324 -0.214 20 5 EBBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCN([C@H]3CCC[C@H]3O)CC2)c1 ZINC001330089651 841113437 /nfs/dbraw/zinc/11/34/37/841113437.db2.gz UEZZOGDIRFMXBC-QLFBSQMISA-N 0 3 339.396 -0.317 20 5 EBBDHN Cc1cc(CC(=O)NC[C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)n[nH]1 ZINC001335669423 842329045 /nfs/dbraw/zinc/32/90/45/842329045.db2.gz VBZCSRGIDZZFKU-FPQZTECRSA-N 0 3 335.364 -0.063 20 5 EBBDHN Cc1cc(CC(=O)NC[C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)[nH]n1 ZINC001335669423 842329061 /nfs/dbraw/zinc/32/90/61/842329061.db2.gz VBZCSRGIDZZFKU-FPQZTECRSA-N 0 3 335.364 -0.063 20 5 EBBDHN CN1CCN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)[C@H](CN)C1 ZINC000578130815 375923862 /nfs/dbraw/zinc/92/38/62/375923862.db2.gz HPNFMIBYTNYEKJ-CYBMUJFWSA-N 0 3 345.363 -0.110 20 5 EBBDHN CN1CCC[C@H](N2CCN(C(=O)Cn3cnc([N+](=O)[O-])n3)CC2)C1 ZINC000609664989 375988401 /nfs/dbraw/zinc/98/84/01/375988401.db2.gz RAXVBGCGDOPIKV-LBPRGKRZSA-N 0 3 337.384 -0.575 20 5 EBBDHN C[C@@H](C[NH+](C)C)NC(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000286877037 376348127 /nfs/dbraw/zinc/34/81/27/376348127.db2.gz DWYIEJJLBYMMEV-JTQLQIEISA-N 0 3 344.393 -0.061 20 5 EBBDHN COC1CCN(CCNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000610572967 376297944 /nfs/dbraw/zinc/29/79/44/376297944.db2.gz AZQZULKHFVZHOQ-UHFFFAOYSA-N 0 3 338.364 -0.017 20 5 EBBDHN O=C(NCCOc1ccc([N+](=O)[O-])cc1)C(=O)N1CCCNCC1 ZINC000562821442 377001175 /nfs/dbraw/zinc/00/11/75/377001175.db2.gz JHLBVRMGGBFJCR-UHFFFAOYSA-N 0 3 336.348 -0.088 20 5 EBBDHN C[C@@H](NC(=O)C(=O)N1CCN(C)C[C@H]1CN)c1cccc([N+](=O)[O-])c1 ZINC000563522900 377439968 /nfs/dbraw/zinc/43/99/68/377439968.db2.gz UZIBSODGRMHYHX-BXUZGUMPSA-N 0 3 349.391 -0.127 20 5 EBBDHN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCN(C)C[C@H]1CN ZINC000592477189 377838150 /nfs/dbraw/zinc/83/81/50/377838150.db2.gz SDOSQEGUCANOJM-SMDDNHRTSA-N 0 3 349.391 -0.186 20 5 EBBDHN CN(CC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)c1ccccc1[N+](=O)[O-] ZINC000594885709 377967853 /nfs/dbraw/zinc/96/78/53/377967853.db2.gz CNVWHAGGONMSGQ-RYUDHWBXSA-N 0 3 347.375 -0.199 20 5 EBBDHN CCOC(=O)c1ccnc(N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c1[N+](=O)[O-] ZINC000567179468 377987453 /nfs/dbraw/zinc/98/74/53/377987453.db2.gz GTIRWMBEJRKNFV-MWLCHTKSSA-N 0 3 349.347 -0.085 20 5 EBBDHN COC[C@H](O)CNCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000567378343 378068842 /nfs/dbraw/zinc/06/88/42/378068842.db2.gz ZPROSHQOKGCBPG-LLVKDONJSA-N 0 3 333.366 -0.530 20 5 EBBDHN CS(=O)(=O)NCCNC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000567492697 378109472 /nfs/dbraw/zinc/10/94/72/378109472.db2.gz NGKPXORINQRGCW-JTQLQIEISA-N 0 3 333.366 -0.527 20 5 EBBDHN CN1CCN(C(=O)C(=O)NCCc2cccc([N+](=O)[O-])c2)[C@@H](CN)C1 ZINC000569794964 378503380 /nfs/dbraw/zinc/50/33/80/378503380.db2.gz VCQIFLQUQWHKSS-AWEZNQCLSA-N 0 3 349.391 -0.645 20 5 EBBDHN N[C@@H]1C[C@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CCN2C1=O ZINC000563441561 379025483 /nfs/dbraw/zinc/02/54/83/379025483.db2.gz MFGPARQGHPRFNR-CMPLNLGQSA-N 0 3 340.361 -0.473 20 5 EBBDHN C[C@@H]1CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCN1CC(C)(C)O ZINC000249318047 379167969 /nfs/dbraw/zinc/16/79/69/379167969.db2.gz FTEYSQITMKESGC-TZMCWYRMSA-N 0 3 341.412 -0.071 20 5 EBBDHN CCN(CCO)CCNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000274487058 379455672 /nfs/dbraw/zinc/45/56/72/379455672.db2.gz BGULVBWEDSGIPY-UHFFFAOYSA-N 0 3 338.364 -0.245 20 5 EBBDHN CC[C@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C(=O)N1CCOCC1 ZINC000574270645 379461983 /nfs/dbraw/zinc/46/19/83/379461983.db2.gz GFBFZGFGDULNPR-OLZOCXBDSA-N 0 3 341.368 -0.621 20 5 EBBDHN CC(C)[C@@H](N)C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000269043583 380211694 /nfs/dbraw/zinc/21/16/94/380211694.db2.gz CGSCTFSGYGNDKK-GFCCVEGCSA-N 0 3 344.393 -0.027 20 5 EBBDHN CN1CCN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)[C@@H](CN)C1 ZINC000162267303 381666041 /nfs/dbraw/zinc/66/60/41/381666041.db2.gz ZPDXBEXZSIMVFH-LBPRGKRZSA-N 0 3 345.363 -0.110 20 5 EBBDHN CN1CCC[C@@H](N2CCN(C(=O)Cn3cnc([N+](=O)[O-])n3)CC2)C1 ZINC000609664988 382037329 /nfs/dbraw/zinc/03/73/29/382037329.db2.gz RAXVBGCGDOPIKV-GFCCVEGCSA-N 0 3 337.384 -0.575 20 5 EBBDHN NCC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000263135539 154254720 /nfs/dbraw/zinc/25/47/20/154254720.db2.gz HVEOVDIQYZKFHQ-UHFFFAOYSA-N 0 3 328.350 -0.614 20 5 EBBDHN CN(C)S(=O)(=O)CCNC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000517025869 419090846 /nfs/dbraw/zinc/09/08/46/419090846.db2.gz PXQNVFPIYJOCTQ-LLVKDONJSA-N 0 3 347.393 -0.185 20 5 EBBDHN Nc1c(C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cc(F)cc1[N+](=O)[O-] ZINC000516982165 419090913 /nfs/dbraw/zinc/09/09/13/419090913.db2.gz WNOGBKRXDLVZEX-SCZZXKLOSA-N 0 3 337.311 -0.300 20 5 EBBDHN O=C(C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])NC[C@H]1CCC[NH2+]1 ZINC000422792761 420922198 /nfs/dbraw/zinc/92/21/98/420922198.db2.gz WJNMHYKLPRWCBY-SNVBAGLBSA-N 0 3 342.377 -0.259 20 5 EBBDHN CNc1nccc(C(=O)N2CCN(CCN(C)C)CC2)c1[N+](=O)[O-] ZINC000566431424 421220748 /nfs/dbraw/zinc/22/07/48/421220748.db2.gz KRGKCDXWYUNMAV-UHFFFAOYSA-N 0 3 336.396 0.351 20 5 EBBDHN CNc1nccc(C(=O)NCCCN2CCN(C)CC2)c1[N+](=O)[O-] ZINC000594214995 421220945 /nfs/dbraw/zinc/22/09/45/421220945.db2.gz KPKUIXBRBKYVDP-UHFFFAOYSA-N 0 3 336.396 0.399 20 5 EBBDHN Cn1cc([C@@H]2CN(C(=O)NCCn3cc([N+](=O)[O-])cn3)C[C@H]2N)cn1 ZINC000424458508 265062574 /nfs/dbraw/zinc/06/25/74/265062574.db2.gz CIXVVBTWXGZOKU-QWHCGFSZSA-N 0 3 348.367 -0.339 20 5 EBBDHN CN1CC[C@@H]([NH+]2CCC(NC(=O)c3cc([N+](=O)[O-])n[n-]3)CC2)C1=O ZINC000425305270 265091313 /nfs/dbraw/zinc/09/13/13/265091313.db2.gz HVSJRBMKTVLRIT-LLVKDONJSA-N 0 3 336.352 -0.257 20 5 EBBDHN COC(=O)c1ccc(S(=O)(=O)N(C)C2CNC2)cc1[N+](=O)[O-] ZINC000420415178 545993322 /nfs/dbraw/zinc/99/33/22/545993322.db2.gz AMCRAOUBKHAMCL-UHFFFAOYSA-N 0 3 329.334 -0.026 20 5 EBBDHN COC(=O)C[C@@]1(NC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCCOC1 ZINC000770711400 583340974 /nfs/dbraw/zinc/34/09/74/583340974.db2.gz VCAQMPZZTGXCPG-OCCSQVGLSA-N 0 3 342.352 -0.146 20 5 EBBDHN O=C1OCCN1[C@@H]1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000852431645 584212335 /nfs/dbraw/zinc/21/23/35/584212335.db2.gz FEDPAVSWCFOEKH-PWSUYJOCSA-N 0 3 325.325 -0.321 20 5 EBBDHN O=C(CCc1nnc[nH]1)N1C[C@@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@@H]2C1 ZINC000961287897 722927054 /nfs/dbraw/zinc/92/70/54/722927054.db2.gz DTYUIWLHVVKWNS-WRWGMCAJSA-N 0 3 348.363 -0.681 20 5 EBBDHN Cn1cnc([N+](=O)[O-])c1CNC1CCN(C(=O)c2cnn(C)n2)CC1 ZINC000997094428 726438000 /nfs/dbraw/zinc/43/80/00/726438000.db2.gz CQXCQONTMFHTSL-UHFFFAOYSA-N 0 3 348.367 -0.149 20 5 EBBDHN O=C(CCN1CCOCC1)N1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001011112457 727210800 /nfs/dbraw/zinc/21/08/00/727210800.db2.gz NDTQHMZHCFWCMO-CHWSQXEVSA-N 0 3 340.380 -0.955 20 5 EBBDHN O=C(N[C@H]1C[C@@H](NCc2ncnn2CCF)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001022063926 729451649 /nfs/dbraw/zinc/45/16/49/729451649.db2.gz PKHXGPIVNQHSRB-LMLFDSFASA-N 0 3 326.332 -0.350 20 5 EBBDHN Cc1cncn1CC(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@H]21 ZINC000976847592 803899483 /nfs/dbraw/zinc/89/94/83/803899483.db2.gz JRUVBSDWJIFARM-DIACKHNESA-N 0 3 333.348 -0.570 20 5 EBBDHN O=C(c1cncc2nc[nH]c21)N1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001011114606 810319302 /nfs/dbraw/zinc/31/93/02/810319302.db2.gz RPCNADCCXCLDSD-BXKDBHETSA-N 0 3 344.331 -0.093 20 5 EBBDHN CS(=O)(=O)CCCN1CCC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001223113765 811682486 /nfs/dbraw/zinc/68/24/86/811682486.db2.gz BZZDZGMPRWWIOQ-CHWSQXEVSA-N 0 3 347.437 -0.086 20 5 EBBDHN O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC001253411374 812679384 /nfs/dbraw/zinc/67/93/84/812679384.db2.gz ICINOUMMEJCRGL-NEPJUHHUSA-N 0 3 336.348 -0.264 20 5 EBBDHN Cc1cc(NC(=O)CNC/C=C\CNC(=O)[C@@H]2CC2[N+](=O)[O-])no1 ZINC001274017729 816842096 /nfs/dbraw/zinc/84/20/96/816842096.db2.gz VOYMGIOZRYKCSP-LVUHIJSRSA-N 0 3 337.336 -0.151 20 5 EBBDHN O=C(CNC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)Nc1cnccn1 ZINC001277054148 817514535 /nfs/dbraw/zinc/51/45/35/817514535.db2.gz BTPUOXIVDKAPBS-NXEZZACHSA-N 0 3 334.336 -0.681 20 5 EBBDHN C[NH+](C)CC(=O)N1CCN(C(=O)c2[n-]nc([N+](=O)[O-])c2Cl)CC1 ZINC001290446042 820464229 /nfs/dbraw/zinc/46/42/29/820464229.db2.gz OWGKKZLFZABEBZ-UHFFFAOYSA-N 0 3 344.759 -0.183 20 5 EBBDHN CCN1CCN(C[C@@H](C)CNC(=O)Cn2cnc([N+](=O)[O-])n2)CC1 ZINC001318458943 822320950 /nfs/dbraw/zinc/32/09/50/822320950.db2.gz BSIPGVCZCROVKA-LBPRGKRZSA-N 0 3 339.400 -0.424 20 5 EBBDHN COCC(=O)N(C)CC(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001128618995 828490792 /nfs/dbraw/zinc/49/07/92/828490792.db2.gz JCFYLGHNMOVFTP-UHFFFAOYSA-N 0 3 338.364 -0.095 20 5 EBBDHN COCCCN1CC(n2cc(CNC(=O)[C@@H]3CC3[N+](=O)[O-])nn2)C1 ZINC001107167907 823767626 /nfs/dbraw/zinc/76/76/26/823767626.db2.gz MIMYARHTUJOXTA-CHWSQXEVSA-N 0 3 338.368 -0.547 20 5 EBBDHN CC(C)N1C(=O)C[C@@H](NC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1=O ZINC001120469273 827228962 /nfs/dbraw/zinc/22/89/62/827228962.db2.gz RUHOJNCZIOOROX-GHMZBOCLSA-N 0 3 325.325 -0.722 20 5 EBBDHN CC(C)N1C(=O)C[C@H](NC[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1=O ZINC001120469275 827229551 /nfs/dbraw/zinc/22/95/51/827229551.db2.gz RUHOJNCZIOOROX-QWRGUYRKSA-N 0 3 325.325 -0.722 20 5 EBBDHN O=C(CN1CCC(=O)NC1=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001146879058 830236688 /nfs/dbraw/zinc/23/66/88/830236688.db2.gz SPPUQTFYBLQHGM-UHFFFAOYSA-N 0 3 349.347 -0.258 20 5 EBBDHN CN1C(=O)CN(CC(=O)NCCNCc2ccc([N+](=O)[O-])cc2)C1=O ZINC001147644647 830379054 /nfs/dbraw/zinc/37/90/54/830379054.db2.gz KOJZPOIHOUQQGG-UHFFFAOYSA-N 0 3 349.347 -0.305 20 5 EBBDHN Cn1cc(C(=O)NCCNCc2ccc([N+](=O)[O-])cc2)c(=O)[nH]c1=O ZINC001150978659 831008008 /nfs/dbraw/zinc/00/80/08/831008008.db2.gz XGROEKNKPULMMI-UHFFFAOYSA-N 0 3 347.331 -0.086 20 5 EBBDHN CCOC(=O)c1ccnc(N(C)S(=O)(=O)CCN)c1[N+](=O)[O-] ZINC001156240523 831463680 /nfs/dbraw/zinc/46/36/80/831463680.db2.gz PZQRRKNFIKVIJF-UHFFFAOYSA-N 0 3 332.338 -0.109 20 5 EBBDHN CCOC(=O)c1cc([N+](=O)[O-])cnc1N(C)S(=O)(=O)CCN ZINC001156239149 831463815 /nfs/dbraw/zinc/46/38/15/831463815.db2.gz PFUCZARURYLTTD-UHFFFAOYSA-N 0 3 332.338 -0.109 20 5 EBBDHN CCn1nncc1C(=O)NCCCNCc1c([N+](=O)[O-])ncn1C ZINC001157531621 831577289 /nfs/dbraw/zinc/57/72/89/831577289.db2.gz BVDIRRZHSRJLCV-UHFFFAOYSA-N 0 3 336.356 -0.151 20 5 EBBDHN Cn1cnc([N+](=O)[O-])c1CNCCCNC(=O)C(=O)NCC1CC1 ZINC001169453597 832463713 /nfs/dbraw/zinc/46/37/13/832463713.db2.gz OFYVPSJEXJZEIB-UHFFFAOYSA-N 0 3 338.368 -0.550 20 5 EBBDHN Cn1cncc1CC(=O)NCCCNCc1c([N+](=O)[O-])ncn1C ZINC001171238547 832553820 /nfs/dbraw/zinc/55/38/20/832553820.db2.gz SJMAPZIFBCFLLQ-UHFFFAOYSA-N 0 3 335.368 -0.100 20 5 EBBDHN CNC(=O)NC[C@@H]1CCCCN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001175361366 832622277 /nfs/dbraw/zinc/62/22/77/832622277.db2.gz HPKPDNIVMZJYQK-AAEUAGOBSA-N 0 3 340.384 -0.064 20 5 EBBDHN COC(=O)COc1ccc(CN[C@H](CO)[C@@H](C)O)cc1[N+](=O)[O-] ZINC001178926846 832931399 /nfs/dbraw/zinc/93/13/99/832931399.db2.gz APZJCXRWFSTGRP-MWLCHTKSSA-N 0 3 328.321 -0.022 20 5 EBBDHN NS(=O)(=O)c1cccc(N2CC(N[C@H]3CCOC3)C2)c1[N+](=O)[O-] ZINC001187740081 833963299 /nfs/dbraw/zinc/96/32/99/833963299.db2.gz WTXIIXKAPHJRFS-VIFPVBQESA-N 0 3 342.377 -0.191 20 5 EBBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCN(C[C@H]3CCOC3)CC2)c1 ZINC001319011737 838060463 /nfs/dbraw/zinc/06/04/63/838060463.db2.gz GPYYKEZBSUIOKH-HIFRSBDPSA-N 0 3 339.396 -0.194 20 5 EBBDHN CCN1CCN([C@@H](C)CNC(=O)Cn2cnc([N+](=O)[O-])n2)CC1 ZINC001328076857 840580850 /nfs/dbraw/zinc/58/08/50/840580850.db2.gz VIJJIKRXDAHHDO-NSHDSACASA-N 0 3 325.373 -0.672 20 5 EBBDHN COCCN(C)C[C@@H](O)Cn1cc([N+](=O)[O-])cc(C(=O)OC)c1=O ZINC000577527731 375874341 /nfs/dbraw/zinc/87/43/41/375874341.db2.gz ASFHZQZBFOJZJN-LLVKDONJSA-N 0 3 343.336 -0.518 20 5 EBBDHN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@H](CO)CN(C)C ZINC000588864397 376397385 /nfs/dbraw/zinc/39/73/85/376397385.db2.gz HAIBDLDDCDEURW-JQWIXIFHSA-N 0 3 338.364 -0.248 20 5 EBBDHN O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC000588863569 376397411 /nfs/dbraw/zinc/39/74/11/376397411.db2.gz QJCCAMLTIPMTQT-AAEUAGOBSA-N 0 3 336.348 -0.576 20 5 EBBDHN CCN1CC[C@@H]2OCCN(C[C@H](O)Cn3cc([N+](=O)[O-])cn3)[C@@H]2C1 ZINC000339395680 376653716 /nfs/dbraw/zinc/65/37/16/376653716.db2.gz MFYNYCXZMMOIBH-ZNMIVQPWSA-N 0 3 339.396 -0.053 20 5 EBBDHN O=C(CNC1CC1)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000562969108 377328307 /nfs/dbraw/zinc/32/83/07/377328307.db2.gz FQKZLXBAYUERCU-UHFFFAOYSA-N 0 3 342.377 -0.259 20 5 EBBDHN COc1cc(S(=O)(=O)N2CCN(C)C[C@@H]2CN)ccc1[N+](=O)[O-] ZINC000563210051 377433879 /nfs/dbraw/zinc/43/38/79/377433879.db2.gz BUSORZULDBSMGJ-JTQLQIEISA-N 0 3 344.393 -0.133 20 5 EBBDHN [NH3+]C[C@@H]1CCN(C(=O)C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000592468879 377837800 /nfs/dbraw/zinc/83/78/00/377837800.db2.gz OCZBQKFPUGFYEH-JTQLQIEISA-N 0 3 342.377 -0.320 20 5 EBBDHN CCCc1n[nH]c(C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c1[N+](=O)[O-] ZINC000594878998 377965190 /nfs/dbraw/zinc/96/51/90/377965190.db2.gz QSMGQWVTEGRUQV-IUCAKERBSA-N 0 3 336.352 -0.346 20 5 EBBDHN CCCc1[nH]nc(C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c1[N+](=O)[O-] ZINC000594878998 377965196 /nfs/dbraw/zinc/96/51/96/377965196.db2.gz QSMGQWVTEGRUQV-IUCAKERBSA-N 0 3 336.352 -0.346 20 5 EBBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1C[C@@H](CO)[C@H](CO)C1 ZINC000599531493 378254919 /nfs/dbraw/zinc/25/49/19/378254919.db2.gz ZEULUJDTJMSWAC-AVGNSLFASA-N 0 3 326.349 -0.133 20 5 EBBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1C[C@@H](CO)[C@H](CO)C1 ZINC000599531494 378255420 /nfs/dbraw/zinc/25/54/20/378255420.db2.gz ZEULUJDTJMSWAC-RWMBFGLXSA-N 0 3 326.349 -0.133 20 5 EBBDHN CN1CCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)[C@H](CN)C1 ZINC000570635722 378512394 /nfs/dbraw/zinc/51/23/94/378512394.db2.gz UBWTVBDHMLZYFY-CYBMUJFWSA-N 0 3 328.394 -0.001 20 5 EBBDHN N[C@H]1C[C@@H]2CN(C(=O)c3n[nH]c4ccc([N+](=O)[O-])cc43)CCN2C1=O ZINC000571106805 378549457 /nfs/dbraw/zinc/54/94/57/378549457.db2.gz QVMNJIRTOZSVOI-KOLCDFICSA-N 0 3 344.331 -0.145 20 5 EBBDHN [NH3+][C@H]1C[C@@H](C(=O)NCC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000571523732 378552892 /nfs/dbraw/zinc/55/28/92/378552892.db2.gz SUCIJQNOVSACNE-AOOOYVTPSA-N 0 3 342.377 -0.273 20 5 EBBDHN CN(CC[NH3+])C(=O)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000417685522 379327195 /nfs/dbraw/zinc/32/71/95/379327195.db2.gz YKFUPNWUQYLUOA-UHFFFAOYSA-N 0 3 345.381 -0.527 20 5 EBBDHN CCCC[C@@H](CN)NC(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000419462119 379340392 /nfs/dbraw/zinc/34/03/92/379340392.db2.gz JAEYCNNWXUKKDA-JTQLQIEISA-N 0 3 326.357 -0.459 20 5 EBBDHN C[C@@H]1C[C@@H](N2CCOCC2)CN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000352887981 379685538 /nfs/dbraw/zinc/68/55/38/379685538.db2.gz MCXHEJPFOFQDST-UMVBOHGHSA-N 0 3 339.396 -0.053 20 5 EBBDHN NC(=O)c1ccc(CN2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000581321522 381071246 /nfs/dbraw/zinc/07/12/46/381071246.db2.gz OBTOLYVWOOBWCP-NEPJUHHUSA-N 0 3 333.348 -0.563 20 5 EBBDHN O=C(NCCn1cc([N+](=O)[O-])cn1)NC[C@H]1CCCN1CCCO ZINC000458573005 381293974 /nfs/dbraw/zinc/29/39/74/381293974.db2.gz RPUOLSHZOXMJPY-GFCCVEGCSA-N 0 3 340.384 -0.063 20 5 EBBDHN N[C@H]1C[C@@H]2CN(c3nc4ccc([N+](=O)[O-])cc4c(=O)[nH]3)CCN2C1=O ZINC000583575487 381514992 /nfs/dbraw/zinc/51/49/92/381514992.db2.gz HOBWTVFIOAGNDD-KOLCDFICSA-N 0 3 344.331 -0.008 20 5 EBBDHN COCCN(CCN(C)C)C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000264167524 154274882 /nfs/dbraw/zinc/27/48/82/154274882.db2.gz JYEHJGCQWOWWEY-UHFFFAOYSA-N 0 3 326.353 -0.207 20 5 EBBDHN COc1ccc(S(=O)(=O)N2CCN(C)C[C@@H]2CN)c([N+](=O)[O-])c1 ZINC000321266993 419049289 /nfs/dbraw/zinc/04/92/89/419049289.db2.gz BDJOTLWGVGYQPO-JTQLQIEISA-N 0 3 344.393 -0.133 20 5 EBBDHN O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)NC[C@H]1CNCCO1 ZINC000517024836 419090787 /nfs/dbraw/zinc/09/07/87/419090787.db2.gz HOERUORRHVRGMK-CYBMUJFWSA-N 0 3 336.348 -0.181 20 5 EBBDHN CCN(CC)CC(=O)N1CCN(C(=O)c2c[nH]nc2[N+](=O)[O-])CC1 ZINC000520369349 419745905 /nfs/dbraw/zinc/74/59/05/419745905.db2.gz RXYHIRPVNOZXJE-UHFFFAOYSA-N 0 3 338.368 -0.056 20 5 EBBDHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000488888290 420881536 /nfs/dbraw/zinc/88/15/36/420881536.db2.gz XSOZDKMSDVWWFV-LLVKDONJSA-N 0 3 338.368 -0.102 20 5 EBBDHN C[NH2+]CCCNC(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000422734961 420921690 /nfs/dbraw/zinc/92/16/90/420921690.db2.gz VEPZRCCZIKTIIC-UHFFFAOYSA-N 0 3 330.366 -0.401 20 5 EBBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@H](O)[C@@H](O)C1 ZINC000278726979 420937476 /nfs/dbraw/zinc/93/74/76/420937476.db2.gz LBAXXNGCLXYRRV-RYUDHWBXSA-N 0 3 325.321 -0.031 20 5 EBBDHN C[C@@H](C[NH3+])CNC(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000423457706 265006565 /nfs/dbraw/zinc/00/65/65/265006565.db2.gz PHMQAIBGHLMKRC-VIFPVBQESA-N 0 3 330.366 -0.416 20 5 EBBDHN [NH3+][C@@H]1C[C@@H]1C(=O)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000424131063 265048611 /nfs/dbraw/zinc/04/86/11/265048611.db2.gz UPGNBIUYQVWSFQ-DTWKUNHWSA-N 0 3 328.350 -0.664 20 5 EBBDHN O=[N+]([O-])c1ccc([C@@H](O)CNC[C@H](O)CN2CCOCC2)cc1 ZINC000746286177 583104738 /nfs/dbraw/zinc/10/47/38/583104738.db2.gz NKGIMFUUTHTQIU-GJZGRUSLSA-N 0 3 325.365 -0.089 20 5 EBBDHN Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)OCC(C)[N+](=O)[O-] ZINC000813102795 583698040 /nfs/dbraw/zinc/69/80/40/583698040.db2.gz VTAXGCQZFBBHOC-CBAPKCEASA-N 0 3 348.381 -0.088 20 5 EBBDHN CC(COC(=O)c1ccc(S(=O)(=O)CC(N)=O)cc1)[N+](=O)[O-] ZINC000813103491 583698042 /nfs/dbraw/zinc/69/80/42/583698042.db2.gz BZYOZNITFZJORL-QMMMGPOBSA-N 0 3 330.318 -0.232 20 5 EBBDHN CCNS(=O)(=O)CCNC[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000819044090 583754451 /nfs/dbraw/zinc/75/44/51/583754451.db2.gz ZJXSLLJRFRJSRA-GFCCVEGCSA-N 0 3 347.393 -0.137 20 5 EBBDHN CN1CCNC[C@@H]1C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000912364331 650203965 /nfs/dbraw/zinc/20/39/65/650203965.db2.gz HRYTUVUXVFLHKN-CYBMUJFWSA-N 0 3 334.380 -0.458 20 5 EBBDHN Cc1cc(C(=O)N2CC3(C2)CN(C(=O)[C@@H]2CC2[N+](=O)[O-])CCO3)n[nH]1 ZINC000965374500 724207220 /nfs/dbraw/zinc/20/72/20/724207220.db2.gz IBWJICSLDDEEON-ZYHUDNBSSA-N 0 3 349.347 -0.563 20 5 EBBDHN O=C(Cc1n[nH]c2c1CCCC2)NC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000991850870 725654643 /nfs/dbraw/zinc/65/46/43/725654643.db2.gz RLXRILJKLZKCPK-BXUZGUMPSA-N 0 3 347.375 -0.177 20 5 EBBDHN Cn1cc(C(=O)N2CCC(NCc3c([N+](=O)[O-])ncn3C)CC2)nn1 ZINC000992055677 725711147 /nfs/dbraw/zinc/71/11/47/725711147.db2.gz DXNISIQDOQESPU-UHFFFAOYSA-N 0 3 348.367 -0.149 20 5 EBBDHN CCn1nnc(C)c1CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001025775891 730086483 /nfs/dbraw/zinc/08/64/83/730086483.db2.gz PEWVIAJATWVXPB-DIACKHNESA-N 0 3 334.380 -0.182 20 5 EBBDHN O=C([C@@H]1CC1[N+](=O)[O-])N1CCCN(CCN2C(=O)CCC2=O)CC1 ZINC000981138190 806091569 /nfs/dbraw/zinc/09/15/69/806091569.db2.gz PHJFDDUGTXXMBE-VXGBXAGGSA-N 0 3 338.364 -0.665 20 5 EBBDHN Cc1nccn1CC(=O)N[C@H]1C[C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000979747053 805527287 /nfs/dbraw/zinc/52/72/87/805527287.db2.gz HFCQDRDMUUYNQT-FDYHWXHSSA-N 0 3 335.364 -0.132 20 5 EBBDHN O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC001253411375 812679078 /nfs/dbraw/zinc/67/90/78/812679078.db2.gz ICINOUMMEJCRGL-NWDGAFQWSA-N 0 3 336.348 -0.264 20 5 EBBDHN O=C(NCCCN1CCN(Cc2cnon2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001265243227 813271562 /nfs/dbraw/zinc/27/15/62/813271562.db2.gz JUBMITCWENSNGE-CHWSQXEVSA-N 0 3 338.368 -0.641 20 5 EBBDHN O=C(CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC1[N+](=O)[O-])NCC1CCC1 ZINC001266900973 813695471 /nfs/dbraw/zinc/69/54/71/813695471.db2.gz ZZIHSOIDJIXJKF-VVSAWPALSA-N 0 3 336.392 -0.386 20 5 EBBDHN O=C(Cn1ccc(=O)[nH]c1=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001130944350 828999396 /nfs/dbraw/zinc/99/93/96/828999396.db2.gz KIGVHXVCYOJAEP-UHFFFAOYSA-N 0 3 347.331 -0.237 20 5 EBBDHN Cn1c(=O)[nH]cc(C(=O)NCCNCc2cccc([N+](=O)[O-])c2)c1=O ZINC001132239934 829389956 /nfs/dbraw/zinc/38/99/56/829389956.db2.gz XPFMSPBCWVCRGN-UHFFFAOYSA-N 0 3 347.331 -0.086 20 5 EBBDHN O=C(CN1CCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1)NCC1CC1 ZINC001147507016 830354846 /nfs/dbraw/zinc/35/48/46/830354846.db2.gz JYWYNURWJJOFLB-CHWSQXEVSA-N 0 3 336.392 -0.288 20 5 EBBDHN Cc1nn(CC(=O)NCCNCc2cccc([N+](=O)[O-])c2)c(=O)n1C ZINC001149570830 830698202 /nfs/dbraw/zinc/69/82/02/830698202.db2.gz BMCYAPCIBJESOK-UHFFFAOYSA-N 0 3 348.363 -0.296 20 5 EBBDHN Cn1cnc([N+](=O)[O-])c1CNCCCNC(=O)CN1CCCC1=O ZINC001154494718 831342191 /nfs/dbraw/zinc/34/21/91/831342191.db2.gz RHXSMBNKKVYPFN-UHFFFAOYSA-N 0 3 338.368 -0.453 20 5 EBBDHN CCCC(=O)NCC(=O)NCCCNCc1c([N+](=O)[O-])ncn1C ZINC001155279307 831396958 /nfs/dbraw/zinc/39/69/58/831396958.db2.gz PVIWGYIKAYUEAZ-UHFFFAOYSA-N 0 3 340.384 -0.160 20 5 EBBDHN O=C(CN1CCNC(=O)C1)NCCCNCc1ccccc1[N+](=O)[O-] ZINC001163880078 832147952 /nfs/dbraw/zinc/14/79/52/832147952.db2.gz AQTZNPSQBYEHEL-UHFFFAOYSA-N 0 3 349.391 -0.378 20 5 EBBDHN COc1nc(SC)nc(N(C)S(=O)(=O)CCN)c1[N+](=O)[O-] ZINC001164286782 832180930 /nfs/dbraw/zinc/18/09/30/832180930.db2.gz AENXUCOGWVWGAH-UHFFFAOYSA-N 0 3 337.383 -0.160 20 5 EBBDHN Cc1nonc1CC(=O)NCCCNCc1c([N+](=O)[O-])ncn1C ZINC001169870615 832480795 /nfs/dbraw/zinc/48/07/95/832480795.db2.gz OZQKUTIIBZXFKM-UHFFFAOYSA-N 0 3 337.340 -0.142 20 5 EBBDHN COC(=O)COc1ccc(CNC[C@@H](O)[C@H](C)O)cc1[N+](=O)[O-] ZINC001179274853 832965589 /nfs/dbraw/zinc/96/55/89/832965589.db2.gz UJFVEYLAOQRFOQ-JOYOIKCWSA-N 0 3 328.321 -0.022 20 5 EBBDHN O=C(N[C@H]1CCN(CCN2CCOCC2)C1)c1n[nH]cc1[N+](=O)[O-] ZINC001319612238 838157956 /nfs/dbraw/zinc/15/79/56/838157956.db2.gz PPWZTVSWCKYVIB-NSHDSACASA-N 0 3 338.368 -0.546 20 5 EBBDHN Cn1cc(C(=O)N(CCO)CCNCc2cccc([N+](=O)[O-])c2)nn1 ZINC001326020411 840005191 /nfs/dbraw/zinc/00/51/91/840005191.db2.gz AYIVJJGMIRFFJM-UHFFFAOYSA-N 0 3 348.363 -0.052 20 5 EBBDHN O=C(CN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)N1CCNCC1 ZINC001326392434 840098426 /nfs/dbraw/zinc/09/84/26/840098426.db2.gz ZKXOGSGOVIPESF-LBPRGKRZSA-N 0 3 334.380 -0.092 20 5 EBBDHN O=C(CN1CC(=O)NC1=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001135440568 1128136614 /nfs/dbraw/zinc/13/66/14/1128136614.db2.gz OCXYDYJZTJZINE-UHFFFAOYSA-N 0 3 335.320 -0.648 20 5 EBBDHN O=C(Cn1cc([N+](=O)[O-])ccc1=O)NC[C@]1(O)CN2CCC1CC2 ZINC000558034259 375892974 /nfs/dbraw/zinc/89/29/74/375892974.db2.gz CKRKMEGCVDWCNP-HNNXBMFYSA-N 0 3 336.348 -0.671 20 5 EBBDHN Cc1cc(C(=O)NCC(=O)N[C@H](CO)CN(C)C)ccc1[N+](=O)[O-] ZINC000588863751 376398025 /nfs/dbraw/zinc/39/80/25/376398025.db2.gz GMTFYMOTKCTXBQ-LBPRGKRZSA-N 0 3 338.364 -0.328 20 5 EBBDHN CCN1CC[C@@H]2OCCN(C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)[C@@H]2C1 ZINC000339395678 376654470 /nfs/dbraw/zinc/65/44/70/376654470.db2.gz MFYNYCXZMMOIBH-KFWWJZLASA-N 0 3 339.396 -0.053 20 5 EBBDHN Cn1cc(N2CC[C@H](NC[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2=O)cn1 ZINC000562996413 377069776 /nfs/dbraw/zinc/06/97/76/377069776.db2.gz PWLSOMICFVNPQW-OLZOCXBDSA-N 0 3 349.351 -0.719 20 5 EBBDHN CN(C(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])[C@@H]1CC[NH2+]C1 ZINC000570633441 377263746 /nfs/dbraw/zinc/26/37/46/377263746.db2.gz VIAWJGQGDHLHJN-SNVBAGLBSA-N 0 3 342.377 -0.307 20 5 EBBDHN NC(=O)Cc1ccc(CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000591767629 377754886 /nfs/dbraw/zinc/75/48/86/377754886.db2.gz DWUFWRDQYPMSHH-AWEZNQCLSA-N 0 3 333.348 -0.030 20 5 EBBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CN(CCN(C)C)C(=O)[C@H]1C ZINC000592880137 377856878 /nfs/dbraw/zinc/85/68/78/377856878.db2.gz NSHXZTABWNKSHF-SNVBAGLBSA-N 0 3 338.368 -0.322 20 5 EBBDHN C[NH2+]C[C@H](C)NC(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000595985119 378046640 /nfs/dbraw/zinc/04/66/40/378046640.db2.gz XBZIBZHPCDKJEH-VIFPVBQESA-N 0 3 330.366 -0.403 20 5 EBBDHN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCOC2(CNC2)C1 ZINC000596581418 378065351 /nfs/dbraw/zinc/06/53/51/378065351.db2.gz YBGQTJBVFYSTCI-NSHDSACASA-N 0 3 348.359 -0.086 20 5 EBBDHN NC(=O)C1(NC[C@H](O)COc2ccccc2[N+](=O)[O-])CCOCC1 ZINC000595728126 378026045 /nfs/dbraw/zinc/02/60/45/378026045.db2.gz JNDOJTJYSFZVBM-NSHDSACASA-N 0 3 339.348 -0.041 20 5 EBBDHN CN1CCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)[C@@H](CN)C1 ZINC000570635723 378511190 /nfs/dbraw/zinc/51/11/90/378511190.db2.gz UBWTVBDHMLZYFY-ZDUSSCGKSA-N 0 3 328.394 -0.001 20 5 EBBDHN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NC[C@@H]1CNCCO1 ZINC000572000533 378565438 /nfs/dbraw/zinc/56/54/38/378565438.db2.gz WWINRVOWMKXLNK-QWRGUYRKSA-N 0 3 340.384 -0.068 20 5 EBBDHN COCCN1CCC[C@@H]1CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000069501398 379084941 /nfs/dbraw/zinc/08/49/41/379084941.db2.gz ASKCVTAGHONBTL-GFCCVEGCSA-N 0 3 338.364 -0.017 20 5 EBBDHN CN1CCN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)[C@H](CN)C1 ZINC000388108456 379205552 /nfs/dbraw/zinc/20/55/52/379205552.db2.gz YPIIXQPOVAHMAD-CYBMUJFWSA-N 0 3 328.394 -0.001 20 5 EBBDHN CCN(CCN)C(=O)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000600796494 379661437 /nfs/dbraw/zinc/66/14/37/379661437.db2.gz IEVQMTWEBFNBIN-UHFFFAOYSA-N 0 3 338.368 -0.238 20 5 EBBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@@H](O)[C@@H](O)C1 ZINC000444692921 380346576 /nfs/dbraw/zinc/34/65/76/380346576.db2.gz FXRXXFQEMHDERK-TXEJJXNPSA-N 0 3 325.321 -0.031 20 5 EBBDHN NC(=O)[C@@H]1CC[C@H](CNC[C@@H](O)COc2cccc([N+](=O)[O-])c2)O1 ZINC000581365165 381070345 /nfs/dbraw/zinc/07/03/45/381070345.db2.gz HTHFCJQPEJDEQV-BNOWGMLFSA-N 0 3 339.348 -0.043 20 5 EBBDHN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H]1CNCCO1 ZINC000262305749 154223034 /nfs/dbraw/zinc/22/30/34/154223034.db2.gz PDNPDWCBFHAVMY-JTQLQIEISA-N 0 3 331.350 -0.130 20 5 EBBDHN CN1CCN(c2ccncc2NC(=O)Cn2cnc([N+](=O)[O-])n2)CC1 ZINC000516207967 419087999 /nfs/dbraw/zinc/08/79/99/419087999.db2.gz NZKZBXNUELSHLG-UHFFFAOYSA-N 0 3 346.351 -0.028 20 5 EBBDHN C[C@H](CC[NH3+])NC(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000423500096 265008089 /nfs/dbraw/zinc/00/80/89/265008089.db2.gz CSHDKWPTABUTSY-SECBINFHSA-N 0 3 330.366 -0.273 20 5 EBBDHN COC(=O)[C@@H](O)C1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000441237207 265303468 /nfs/dbraw/zinc/30/34/68/265303468.db2.gz VYPAVOQPKBCAIU-OLZOCXBDSA-N 0 3 342.352 -0.602 20 5 EBBDHN CN(C)[C@H]1CN(c2cccc(S(N)(=O)=O)c2[N+](=O)[O-])C[C@@H]1O ZINC000365802333 289395633 /nfs/dbraw/zinc/39/56/33/289395633.db2.gz TZJBXKUQEXODKP-UWVGGRQHSA-N 0 3 330.366 -0.647 20 5 EBBDHN COCCNS(=O)(=O)c1c[nH]c(C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813105623 583697991 /nfs/dbraw/zinc/69/79/91/583697991.db2.gz QRMLXDGMJJQWMO-QMMMGPOBSA-N 0 3 335.338 -0.239 20 5 EBBDHN CC(COC(=O)CCc1nc2c([nH]1)n(C)c(=O)[nH]c2=O)[N+](=O)[O-] ZINC000813104784 583698061 /nfs/dbraw/zinc/69/80/61/583698061.db2.gz RSTOKNBFUDZCHZ-LURJTMIESA-N 0 3 325.281 -0.497 20 5 EBBDHN CCNS(=O)(=O)CCNC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000819043207 583754196 /nfs/dbraw/zinc/75/41/96/583754196.db2.gz QDFVSBHCKGBRBO-LLVKDONJSA-N 0 3 347.393 -0.137 20 5 EBBDHN O=C1c2ccc([N+](=O)[O-])cc2S(=O)(=O)N1C[C@@H]1CNCCO1 ZINC000849240070 584167397 /nfs/dbraw/zinc/16/73/97/584167397.db2.gz DNQYQHBGDNYBNL-VIFPVBQESA-N 0 3 327.318 -0.272 20 5 EBBDHN O=C(NC[C@H]1C[C@H](NCc2nnnn2C2CC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001086363153 816307973 /nfs/dbraw/zinc/30/79/73/816307973.db2.gz DYHJKCPXGGKDSI-CNVPUSNMSA-N 0 3 335.368 -0.342 20 5 EBBDHN O=C(CCN1CCOCC1)NC/C=C/CNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001285546506 819654459 /nfs/dbraw/zinc/65/44/59/819654459.db2.gz YHIWIKICSFSFBE-DKZVVXNFSA-N 0 3 340.380 -0.838 20 5 EBBDHN COC[C@]1(CN(C)C)COCCN1C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC001288227771 820272161 /nfs/dbraw/zinc/27/21/61/820272161.db2.gz YCOVQRKKXIEUBX-CQSZACIVSA-N 0 3 341.368 -0.253 20 5 EBBDHN CCCN1CC[C@H](NC(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC001118646207 826974516 /nfs/dbraw/zinc/97/45/16/826974516.db2.gz ZCXHVOWHMBCSID-NSHDSACASA-N 0 3 338.368 -0.492 20 5 EBBDHN NS(=O)(=O)CCCC(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001133148112 829592369 /nfs/dbraw/zinc/59/23/69/829592369.db2.gz GPZHPBXBLNRVQE-UHFFFAOYSA-N 0 3 344.393 -0.131 20 5 EBBDHN NS(=O)(=O)CCCC(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001133148429 829593028 /nfs/dbraw/zinc/59/30/28/829593028.db2.gz URSFEODRWBLELV-UHFFFAOYSA-N 0 3 344.393 -0.131 20 5 EBBDHN Cn1cnc([N+](=O)[O-])c1CNCCCNC(=O)CCn1cncn1 ZINC001154697163 831358853 /nfs/dbraw/zinc/35/88/53/831358853.db2.gz YKPQFDOQLKXDDZ-UHFFFAOYSA-N 0 3 336.356 -0.394 20 5 EBBDHN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCCN(C)CCO ZINC001155251616 831395394 /nfs/dbraw/zinc/39/53/94/831395394.db2.gz TVYZIUQHBAPGAW-LLVKDONJSA-N 0 3 342.400 -0.132 20 5 EBBDHN Cn1cnc([N+](=O)[O-])c1CNCCCNC(=O)c1nccnc1N ZINC001155950806 831443845 /nfs/dbraw/zinc/44/38/45/831443845.db2.gz KAUYSMHDDKWDRT-UHFFFAOYSA-N 0 3 334.340 -0.390 20 5 EBBDHN CNC(=O)NCCC(=O)NCCCNCc1c([N+](=O)[O-])ncn1C ZINC001157502858 831573136 /nfs/dbraw/zinc/57/31/36/831573136.db2.gz ZPJXZMZXRMCCEZ-UHFFFAOYSA-N 0 3 341.372 -0.757 20 5 EBBDHN Cn1ccc(CC(=O)NCCCNCc2c([N+](=O)[O-])ncn2C)n1 ZINC001157808619 831593968 /nfs/dbraw/zinc/59/39/68/831593968.db2.gz HQUMKCXBVWSFCR-UHFFFAOYSA-N 0 3 335.368 -0.100 20 5 EBBDHN Cn1cnc([N+](=O)[O-])c1CNCCCNC(=O)c1ccc(=O)n(C)c1 ZINC001161730085 831987235 /nfs/dbraw/zinc/98/72/35/831987235.db2.gz LPPMHTCREWJSEE-UHFFFAOYSA-N 0 3 348.363 -0.063 20 5 EBBDHN COC(=O)c1cc(C)nc(N(C)S(=O)(=O)CCN)c1[N+](=O)[O-] ZINC001164292688 832181443 /nfs/dbraw/zinc/18/14/43/832181443.db2.gz YCQKJHRSPYPSNS-UHFFFAOYSA-N 0 3 332.338 -0.190 20 5 EBBDHN C[C@]1(CO)CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@]1(C)CO ZINC001331480442 841414736 /nfs/dbraw/zinc/41/47/36/841414736.db2.gz IFLXFNRAQZPSOB-MCIONIFRSA-N 0 3 328.369 -0.535 20 5 EBBDHN O=C(CNC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)Nc1nncs1 ZINC001483732017 1126464964 /nfs/dbraw/zinc/46/49/64/1126464964.db2.gz BAHUQCUDXRYKRN-HTQZYQBOSA-N 0 3 340.365 -0.620 20 5 EBBDHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000285579090 375894332 /nfs/dbraw/zinc/89/43/32/375894332.db2.gz KBTNYJUVKMVSNU-LLVKDONJSA-N 0 3 338.368 -0.010 20 5 EBBDHN CCn1cc(S(=O)(=O)N2CCN(C)C[C@@H]2CN)c([N+](=O)[O-])n1 ZINC000592983020 377868844 /nfs/dbraw/zinc/86/88/44/377868844.db2.gz QNBKUVMWYNPPOM-VIFPVBQESA-N 0 3 332.386 -0.925 20 5 EBBDHN CCN1CCN(CCNS(=O)(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000593582608 377895584 /nfs/dbraw/zinc/89/55/84/377895584.db2.gz VHSYLQKQPJOKDS-UHFFFAOYSA-N 0 3 343.409 -0.094 20 5 EBBDHN Cc1cc(C(=O)NCC(=O)N2CCOC3(CNC3)C2)ccc1[N+](=O)[O-] ZINC000596098865 378052775 /nfs/dbraw/zinc/05/27/75/378052775.db2.gz OTKLJLZBQNOKCY-UHFFFAOYSA-N 0 3 348.359 -0.166 20 5 EBBDHN CN(C)C[C@H](CO)Nc1ncnc(N2CCOCC2)c1[N+](=O)[O-] ZINC000598626058 378173461 /nfs/dbraw/zinc/17/34/61/378173461.db2.gz YPFMNQUCXDBAGF-SNVBAGLBSA-N 0 3 326.357 -0.444 20 5 EBBDHN O=C1CNC(=O)N1CCNC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000571198525 378550682 /nfs/dbraw/zinc/55/06/82/378550682.db2.gz NOQHBBFBWFOLAG-SNVBAGLBSA-N 0 3 338.320 -0.524 20 5 EBBDHN COc1ccc([N+](=O)[O-])c(C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)c1 ZINC000571581565 378554976 /nfs/dbraw/zinc/55/49/76/378554976.db2.gz GSTQRIJWZMJZKP-JOYOIKCWSA-N 0 3 334.332 -0.013 20 5 EBBDHN CN1CCN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](CN)C1 ZINC000571796546 378557206 /nfs/dbraw/zinc/55/72/06/378557206.db2.gz BBLNRSIUWVFOPA-AWEZNQCLSA-N 0 3 349.391 -0.184 20 5 EBBDHN CCc1n[nH]c(C(=O)N[C@H](C)C(=O)NCCN(C)C)c1[N+](=O)[O-] ZINC000563403816 379014202 /nfs/dbraw/zinc/01/42/02/379014202.db2.gz QQCVNEFJQCORSR-MRVPVSSYSA-N 0 3 326.357 -0.324 20 5 EBBDHN C[C@H](O)CN1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H](C)C1 ZINC000249525201 379371599 /nfs/dbraw/zinc/37/15/99/379371599.db2.gz XUUCDMMQUSHKIW-MBNYWOFBSA-N 0 3 327.385 -0.461 20 5 EBBDHN O=C(Cn1cnc([N+](=O)[O-])n1)Nc1ccc(N2CCNCC2)cn1 ZINC000429034649 379444232 /nfs/dbraw/zinc/44/42/32/379444232.db2.gz JPYSATFNSRMLDP-UHFFFAOYSA-N 0 3 332.324 -0.370 20 5 EBBDHN O=C(NCCn1cc([N+](=O)[O-])cn1)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000372037837 379412312 /nfs/dbraw/zinc/41/23/12/379412312.db2.gz QUGZYBSLRAAPCL-WCQYABFASA-N 0 3 338.368 -0.046 20 5 EBBDHN CC[C@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)C(=O)N1CCOCC1 ZINC000574270647 379461462 /nfs/dbraw/zinc/46/14/62/379461462.db2.gz GFBFZGFGDULNPR-STQMWFEESA-N 0 3 341.368 -0.621 20 5 EBBDHN CNC(=O)C[C@H](C)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000268842468 380168934 /nfs/dbraw/zinc/16/89/34/380168934.db2.gz QZOFDNBTBMLTPW-JTQLQIEISA-N 0 3 344.393 -0.013 20 5 EBBDHN CNS(=O)(=O)CCNC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000580640313 380806448 /nfs/dbraw/zinc/80/64/48/380806448.db2.gz BYRPANDDFQDCHK-NSHDSACASA-N 0 3 333.366 -0.527 20 5 EBBDHN O=C(CNC[C@H](O)COc1cccc([N+](=O)[O-])c1)N1CCOCC1 ZINC000574804263 380970063 /nfs/dbraw/zinc/97/00/63/380970063.db2.gz WBIPKIWWJIGCIP-ZDUSSCGKSA-N 0 3 339.348 -0.217 20 5 EBBDHN CN[C@@H](C)C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000581439423 381075817 /nfs/dbraw/zinc/07/58/17/381075817.db2.gz VROFPDBNEVZXOD-VIFPVBQESA-N 0 3 330.366 -0.403 20 5 EBBDHN COC(=O)COc1ccc(CNC[C@@](C)(O)CO)cc1[N+](=O)[O-] ZINC000619464292 381189756 /nfs/dbraw/zinc/18/97/56/381189756.db2.gz NFRCVNCKOZXLEM-CQSZACIVSA-N 0 3 328.321 -0.021 20 5 EBBDHN COCCCN(C)CCNC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000152469272 381653849 /nfs/dbraw/zinc/65/38/49/381653849.db2.gz RZAJSPCNDMDGJL-UHFFFAOYSA-N 0 3 326.353 -0.159 20 5 EBBDHN NCC(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000262275700 154221626 /nfs/dbraw/zinc/22/16/26/154221626.db2.gz XKXUNASJUPOOHH-UHFFFAOYSA-N 0 3 328.350 -0.614 20 5 EBBDHN C[C@@H]([NH3+])[C@@H](C)C(=O)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000262529669 154236775 /nfs/dbraw/zinc/23/67/75/154236775.db2.gz MWYQKXJAOFZSTC-NXEZZACHSA-N 0 3 344.393 -0.027 20 5 EBBDHN NCC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000263274697 154256523 /nfs/dbraw/zinc/25/65/23/154256523.db2.gz XYHHTNIPXSQBGR-UHFFFAOYSA-N 0 3 328.350 -0.614 20 5 EBBDHN CN1CC[C@@](O)(CNC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)C1 ZINC000358076665 157207318 /nfs/dbraw/zinc/20/73/18/157207318.db2.gz WKLKHTARTPDGKU-OAHLLOKOSA-N 0 3 346.347 -0.028 20 5 EBBDHN COc1cnccc1N1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC1 ZINC000358315029 157231350 /nfs/dbraw/zinc/23/13/50/157231350.db2.gz YNYOWCADBKOGTK-UHFFFAOYSA-N 0 3 347.335 -0.061 20 5 EBBDHN COc1cccc(C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c1[N+](=O)[O-] ZINC000516089617 419088437 /nfs/dbraw/zinc/08/84/37/419088437.db2.gz UTNJWNRNHFUDID-ONGXEEELSA-N 0 3 334.332 -0.013 20 5 EBBDHN CC(C)NS(=O)(=O)CCNC[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000514788878 419060631 /nfs/dbraw/zinc/06/06/31/419060631.db2.gz PMCXYIFCMPZULC-NSHDSACASA-N 0 3 335.386 -0.930 20 5 EBBDHN COC(=O)c1cc(C)nc(N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c1[N+](=O)[O-] ZINC000520610846 419802033 /nfs/dbraw/zinc/80/20/33/419802033.db2.gz AWAKYNGZZDGLPI-ONGXEEELSA-N 0 3 349.347 -0.167 20 5 EBBDHN CN1CC[C@@H](Cn2nnnc2Sc2ncc([N+](=O)[O-])c(N)n2)C1 ZINC000362876310 420639871 /nfs/dbraw/zinc/63/98/71/420639871.db2.gz PSCOGTFGGAMBFH-SSDOTTSWSA-N 0 3 337.369 0.056 20 5 EBBDHN CN1CC[C@H](Cn2nnnc2Sc2ncc([N+](=O)[O-])c(N)n2)C1 ZINC000362876314 420641071 /nfs/dbraw/zinc/64/10/71/420641071.db2.gz PSCOGTFGGAMBFH-ZETCQYMHSA-N 0 3 337.369 0.056 20 5 EBBDHN CC(C)(C[NH3+])NC(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000422796957 420921739 /nfs/dbraw/zinc/92/17/39/420921739.db2.gz KQGMWIMBQUIMFH-UHFFFAOYSA-N 0 3 330.366 -0.273 20 5 EBBDHN CNc1nccc(C(=O)N2CCC[C@](O)(CN(C)C)C2)c1[N+](=O)[O-] ZINC000597573336 421220568 /nfs/dbraw/zinc/22/05/68/421220568.db2.gz DOOOCIRCRZHGKN-HNNXBMFYSA-N 0 3 337.380 0.560 20 5 EBBDHN C[NH2+]CCCN(C)C(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000424018127 265046283 /nfs/dbraw/zinc/04/62/83/265046283.db2.gz IMDYHNGZEVIMOZ-UHFFFAOYSA-N 0 3 344.393 -0.059 20 5 EBBDHN O=C([C@@H]1CCCN(CCn2ccc([N+](=O)[O-])n2)C1)N1CCNCC1 ZINC000430607891 265149807 /nfs/dbraw/zinc/14/98/07/265149807.db2.gz BPTLYGROGRYEMA-CYBMUJFWSA-N 0 3 336.396 -0.065 20 5 EBBDHN COC(=O)[C@H](O)C1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000441237183 265303547 /nfs/dbraw/zinc/30/35/47/265303547.db2.gz VYPAVOQPKBCAIU-CHWSQXEVSA-N 0 3 342.352 -0.602 20 5 EBBDHN CCNCC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000818513169 583745072 /nfs/dbraw/zinc/74/50/72/583745072.db2.gz FQBLYQIAWVWSQX-UHFFFAOYSA-N 0 3 330.366 -0.401 20 5 EBBDHN O=C1OCCN1[C@H]1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000852431643 584212210 /nfs/dbraw/zinc/21/22/10/584212210.db2.gz FEDPAVSWCFOEKH-CMPLNLGQSA-N 0 3 325.325 -0.321 20 5 EBBDHN NC[C@H]1CC(C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)=NO1 ZINC000852812090 584216450 /nfs/dbraw/zinc/21/64/50/584216450.db2.gz NYZJKOCZWHAPJV-LLVKDONJSA-N 0 3 334.336 -0.258 20 5 EBBDHN CN(C)C[C@H](O)CNc1ncnc(N2CCOCC2)c1[N+](=O)[O-] ZINC000856722524 584270292 /nfs/dbraw/zinc/27/02/92/584270292.db2.gz UPHIBSAMWAAFRD-SNVBAGLBSA-N 0 3 326.357 -0.444 20 5 EBBDHN CN(C)C[C@@H](O)CNc1ncnc(N2CCOCC2)c1[N+](=O)[O-] ZINC000856722523 584270364 /nfs/dbraw/zinc/27/03/64/584270364.db2.gz UPHIBSAMWAAFRD-JTQLQIEISA-N 0 3 326.357 -0.444 20 5 EBBDHN O=C(c1ccn[nH]1)N1CCN(C2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)CC1 ZINC000967192582 724826283 /nfs/dbraw/zinc/82/62/83/724826283.db2.gz HRSFXZDVXYULRL-DGCLKSJQSA-N 0 3 348.363 -0.957 20 5 EBBDHN O=C(NC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1)c1ccn2cncc2c1 ZINC000996738375 726424625 /nfs/dbraw/zinc/42/46/25/726424625.db2.gz LJUBWTNSKITGIV-CHWSQXEVSA-N 0 3 329.316 -0.060 20 5 EBBDHN CCCCn1nnnc1CN[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001020140071 729082075 /nfs/dbraw/zinc/08/20/75/729082075.db2.gz WUFHZXNMCVHLSR-DDHJBXDOSA-N 0 3 337.384 -0.125 20 5 EBBDHN CC(C)(C)n1nnnc1CN[C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001022064072 729451653 /nfs/dbraw/zinc/45/16/53/729451653.db2.gz UONHHBPKKZTFOW-LMLFDSFASA-N 0 3 337.384 -0.170 20 5 EBBDHN Cc1cncn1CC(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000978794733 804982368 /nfs/dbraw/zinc/98/23/68/804982368.db2.gz JPTOPGMSKJJLMS-YVECIDJPSA-N 0 3 335.364 -0.132 20 5 EBBDHN Cn1cnc([N+](=O)[O-])c1CNC1CCN(C(=O)Cn2cnnn2)CC1 ZINC000989917624 808618192 /nfs/dbraw/zinc/61/81/92/808618192.db2.gz MKTBEHJJYUQZKN-UHFFFAOYSA-N 0 3 349.355 -0.904 20 5 EBBDHN NC(=O)C[C@H](NC1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C(N)=O ZINC001254472523 812705951 /nfs/dbraw/zinc/70/59/51/812705951.db2.gz BGOABECLRYNZRM-ZDUSSCGKSA-N 0 3 335.364 -0.118 20 5 EBBDHN CN(CC(=O)NCCNCc1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC001128603243 828484176 /nfs/dbraw/zinc/48/41/76/828484176.db2.gz CUMNDSUCTTYRFU-UHFFFAOYSA-N 0 3 344.393 -0.308 20 5 EBBDHN Cn1cnn(CC(=O)NCCNCc2cccc([N+](=O)[O-])c2)c1=O ZINC001130590711 828891926 /nfs/dbraw/zinc/89/19/26/828891926.db2.gz DNBGQSDDSIPUPQ-UHFFFAOYSA-N 0 3 334.336 -0.604 20 5 EBBDHN O=C(CN1C(=O)CCC1=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001150472059 830910995 /nfs/dbraw/zinc/91/09/95/830910995.db2.gz CXXKDGUXLWZTNZ-UHFFFAOYSA-N 0 3 334.332 -0.050 20 5 EBBDHN Cn1cnc([N+](=O)[O-])c1CNCCCNC(=O)c1cnn(C)c1N ZINC001156936880 831516092 /nfs/dbraw/zinc/51/60/92/831516092.db2.gz RZMGKLMSFQLKQU-UHFFFAOYSA-N 0 3 336.356 -0.446 20 5 EBBDHN COCCc1noc(CNCCCNC(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC001157760765 831590207 /nfs/dbraw/zinc/59/02/07/831590207.db2.gz IRHHOZHUMXOHHU-NXEZZACHSA-N 0 3 327.341 -0.480 20 5 EBBDHN CN(c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])S(=O)(=O)CCN ZINC001164299959 832182932 /nfs/dbraw/zinc/18/29/32/832182932.db2.gz DUBGRYNSDUUAPD-UHFFFAOYSA-N 0 3 337.379 -0.277 20 5 EBBDHN Cn1cnc([N+](=O)[O-])c1CNCCCNC(=O)CCn1cnnn1 ZINC001169100624 832448263 /nfs/dbraw/zinc/44/82/63/832448263.db2.gz MSBOCXHRUWNDJX-UHFFFAOYSA-N 0 3 337.344 -0.999 20 5 EBBDHN C[C@@H]1CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H](C)CN1CCO ZINC001195279072 835209568 /nfs/dbraw/zinc/20/95/68/835209568.db2.gz MMKIFHGIBYCDOU-DYEKYZERSA-N 0 3 327.385 -0.461 20 5 EBBDHN C[C@@H](CCN1CCN(C)CC1)NC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC001320477273 838777967 /nfs/dbraw/zinc/77/79/67/838777967.db2.gz OZZAILLGAZBVMS-NSHDSACASA-N 0 3 325.373 -0.672 20 5 EBBDHN CN(C)C[C@@H](CO)NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000590369420 377478732 /nfs/dbraw/zinc/47/87/32/377478732.db2.gz FNTTZXLPVZHQNM-LBPRGKRZSA-N 0 3 338.364 -0.247 20 5 EBBDHN CCS(=O)(=O)NCCNC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000566106030 377484666 /nfs/dbraw/zinc/48/46/66/377484666.db2.gz FAVGEYIUKMOVIR-LLVKDONJSA-N 0 3 347.393 -0.137 20 5 EBBDHN COC(=O)c1cc(NC(=O)C(=O)NC2CNC2)c(C)c([N+](=O)[O-])c1 ZINC000591295208 377707168 /nfs/dbraw/zinc/70/71/68/377707168.db2.gz XVPJNRADCYYOJR-UHFFFAOYSA-N 0 3 336.304 -0.284 20 5 EBBDHN C[C@@H]([NH3+])CNC(=O)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000591352610 377708815 /nfs/dbraw/zinc/70/88/15/377708815.db2.gz MKYCNWQVTPEKFU-SECBINFHSA-N 0 3 345.381 -0.481 20 5 EBBDHN CCn1cc(S(=O)(=O)N2CCN(C)C[C@H]2CN)c([N+](=O)[O-])n1 ZINC000592983011 377868127 /nfs/dbraw/zinc/86/81/27/377868127.db2.gz QNBKUVMWYNPPOM-SECBINFHSA-N 0 3 332.386 -0.925 20 5 EBBDHN NS(=O)(=O)c1cc([N+](=O)[O-])cc(N2CCN3C[C@H](O)C[C@H]3C2)c1 ZINC000594603138 377945113 /nfs/dbraw/zinc/94/51/13/377945113.db2.gz LDOLHMXASQVATO-NWDGAFQWSA-N 0 3 342.377 -0.503 20 5 EBBDHN C[NH2+]C[C@@H](C)NC(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000595985118 378046882 /nfs/dbraw/zinc/04/68/82/378046882.db2.gz XBZIBZHPCDKJEH-SECBINFHSA-N 0 3 330.366 -0.403 20 5 EBBDHN COC(=O)[C@@]1(OC)CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000599562936 378258260 /nfs/dbraw/zinc/25/82/60/378258260.db2.gz KJXVNPQOSPOLMX-WCQYABFASA-N 0 3 328.325 -0.584 20 5 EBBDHN COc1ccc([N+](=O)[O-])c(C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c1 ZINC000571581568 378555106 /nfs/dbraw/zinc/55/51/06/378555106.db2.gz GSTQRIJWZMJZKP-SKDRFNHKSA-N 0 3 334.332 -0.013 20 5 EBBDHN C[C@H]1CCCN(C(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)[C@H]1CN ZINC000419469894 379341132 /nfs/dbraw/zinc/34/11/32/379341132.db2.gz XFKBTDWUYSQCBX-JQWIXIFHSA-N 0 3 338.368 -0.507 20 5 EBBDHN C[C@H](O)CN1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H](C)C1 ZINC000249525199 379371246 /nfs/dbraw/zinc/37/12/46/379371246.db2.gz XUUCDMMQUSHKIW-DYEKYZERSA-N 0 3 327.385 -0.461 20 5 EBBDHN COc1ccc(NC(=O)CCN2C[C@@H](O)[C@H](O)C2)c([N+](=O)[O-])c1 ZINC000278674557 379497057 /nfs/dbraw/zinc/49/70/57/379497057.db2.gz IJSGQCGBDWEFKQ-CHWSQXEVSA-N 0 3 325.321 -0.031 20 5 EBBDHN NC(=O)[C@]1(O)CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000276480393 379478497 /nfs/dbraw/zinc/47/84/97/379478497.db2.gz SADCLKSHZNTNGZ-FZMZJTMJSA-N 0 3 325.321 -0.743 20 5 EBBDHN C[C@@H]1C[C@H](N2CCOCC2)CN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000352887982 379685082 /nfs/dbraw/zinc/68/50/82/379685082.db2.gz MCXHEJPFOFQDST-VNHYZAJKSA-N 0 3 339.396 -0.053 20 5 EBBDHN CCCc1[nH]nc(C(=O)N(C)CC(=O)N2CCNCC2)c1[N+](=O)[O-] ZINC000353047006 379687543 /nfs/dbraw/zinc/68/75/43/379687543.db2.gz LORVRNVRTSIZEG-UHFFFAOYSA-N 0 3 338.368 -0.226 20 5 EBBDHN Cc1nn(CCC(=O)NCCN2CC[C@@H](O)C2)c(C)c1[N+](=O)[O-] ZINC000600532444 379947332 /nfs/dbraw/zinc/94/73/32/379947332.db2.gz IGFZXCCSIWKQCY-GFCCVEGCSA-N 0 3 325.369 -0.019 20 5 EBBDHN COCCN1CC[C@@H](NC(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC000269069900 380214200 /nfs/dbraw/zinc/21/42/00/380214200.db2.gz ZBVZIOBDUPHWJX-LLVKDONJSA-N 0 3 326.357 -0.189 20 5 EBBDHN COC(=O)c1ccc([N+](=O)[O-])c(N2CCN3C(=O)[C@@H](N)C[C@H]3C2)n1 ZINC000576887224 381930068 /nfs/dbraw/zinc/93/00/68/381930068.db2.gz FIPCKSGQVDVHGZ-IUCAKERBSA-N 0 3 335.320 -0.475 20 5 EBBDHN N[C@@H]1C[C@H]2CN(C(=O)COc3ccc([N+](=O)[O-])cc3)CCN2C1=O ZINC000577412024 382048648 /nfs/dbraw/zinc/04/86/48/382048648.db2.gz NLJHFHAWSDHLSB-WCQYABFASA-N 0 3 334.332 -0.256 20 5 EBBDHN COc1ccc(S(=O)(=O)[N-]CCN2CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000262500013 154235133 /nfs/dbraw/zinc/23/51/33/154235133.db2.gz LWEUEFGZXWACKQ-UHFFFAOYSA-N 0 3 344.393 -0.213 20 5 EBBDHN CN1CC[C@](O)(CNC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)C1 ZINC000358069532 157204105 /nfs/dbraw/zinc/20/41/05/157204105.db2.gz TUPFPBBXZAFDSG-HNNXBMFYSA-N 0 3 346.347 -0.028 20 5 EBBDHN COC(=O)C[C@@]1(NC[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCOC1 ZINC000362269409 157449413 /nfs/dbraw/zinc/44/94/13/157449413.db2.gz IYWTZKHSNIKZSS-AAEUAGOBSA-N 0 3 328.325 -0.536 20 5 EBBDHN O=C(CNC1CC1)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000517230384 419090369 /nfs/dbraw/zinc/09/03/69/419090369.db2.gz OHHPGGJCZNVOKV-UHFFFAOYSA-N 0 3 342.377 -0.259 20 5 EBBDHN COC(=O)[C@@H]1CSCCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000412087658 419139831 /nfs/dbraw/zinc/13/98/31/419139831.db2.gz WGKVUVXMJNQPML-JQWIXIFHSA-N 0 3 344.393 -0.010 20 5 EBBDHN C[C@@H]([NH3+])[C@H](C)NC(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000423679174 265031997 /nfs/dbraw/zinc/03/19/97/265031997.db2.gz LSOMDCNMMDAPOC-BDAKNGLRSA-N 0 3 330.366 -0.275 20 5 EBBDHN COC(=O)[C@@H](O)C1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000441237212 265304071 /nfs/dbraw/zinc/30/40/71/265304071.db2.gz VYPAVOQPKBCAIU-STQMWFEESA-N 0 3 342.352 -0.602 20 5 EBBDHN CC[NH2+]CC(=O)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000818544268 583745404 /nfs/dbraw/zinc/74/54/04/583745404.db2.gz DKKWYMBKKXUNJM-UHFFFAOYSA-N 0 3 330.366 -0.401 20 5 EBBDHN C[C@@H](CN)NC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000842254243 584062175 /nfs/dbraw/zinc/06/21/75/584062175.db2.gz GHIIMWMOKOJYOU-NSHDSACASA-N 0 3 335.364 -0.293 20 5 EBBDHN CCN1C(=O)CO[C@H](C(=O)OCC(C)[N+](=O)[O-])[C@H]1c1nccn1C ZINC000860777668 584322140 /nfs/dbraw/zinc/32/21/40/584322140.db2.gz SKJLYAPAAMFHTC-USWWRNFRSA-N 0 3 340.336 -0.083 20 5 EBBDHN Cn1cnc([N+](=O)[O-])c1CN1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC000950787775 654264373 /nfs/dbraw/zinc/26/43/73/654264373.db2.gz WUSZZDWIIOGMAE-UHFFFAOYSA-N 0 3 333.352 -0.062 20 5 EBBDHN O=C(CCc1c[nH]cn1)N1C[C@@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@@H]2C1 ZINC000961548231 723036283 /nfs/dbraw/zinc/03/62/83/723036283.db2.gz BUUMWYORFANIHZ-ZMJPVWNMSA-N 0 3 347.375 -0.076 20 5 EBBDHN Cn1cnc([N+](=O)[O-])c1CNC1CCN(C(=O)c2cnnn2C)CC1 ZINC000991983416 725692776 /nfs/dbraw/zinc/69/27/76/725692776.db2.gz XEHCVUMGGSCSQD-UHFFFAOYSA-N 0 3 348.367 -0.149 20 5 EBBDHN CN(C)c1noc(CNC2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1 ZINC000996429924 726392187 /nfs/dbraw/zinc/39/21/87/726392187.db2.gz XABAKUQJXCBCJL-GHMZBOCLSA-N 0 3 338.368 -0.119 20 5 EBBDHN CCCCn1nnnc1CN[C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001022064112 729451614 /nfs/dbraw/zinc/45/16/14/729451614.db2.gz WUFHZXNMCVHLSR-WRWGMCAJSA-N 0 3 337.384 -0.125 20 5 EBBDHN O=C(NC[C@H]1C[C@@H](NCc2nnnn2C2CC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001086082812 816224722 /nfs/dbraw/zinc/22/47/22/816224722.db2.gz DYHJKCPXGGKDSI-RBLKWDMZSA-N 0 3 335.368 -0.342 20 5 EBBDHN O=C(NCCCN1CCN(Cc2ccon2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001316957577 821937835 /nfs/dbraw/zinc/93/78/35/821937835.db2.gz DUMLALJNWHSOOX-ZIAGYGMSSA-N 0 3 337.380 -0.036 20 5 EBBDHN COCC(=O)N(C)CC(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001128619096 828490786 /nfs/dbraw/zinc/49/07/86/828490786.db2.gz NORCQAAEPNFLQW-UHFFFAOYSA-N 0 3 338.364 -0.095 20 5 EBBDHN O=C(CN1C(=O)CCC1=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001150473465 830912837 /nfs/dbraw/zinc/91/28/37/830912837.db2.gz RWULVOJHBQYUEJ-UHFFFAOYSA-N 0 3 334.332 -0.050 20 5 EBBDHN CNC(=O)CCCC(=O)NCCCNCc1c([N+](=O)[O-])ncn1C ZINC001156869128 831509300 /nfs/dbraw/zinc/50/93/00/831509300.db2.gz WKDPSESYBLUIGK-UHFFFAOYSA-N 0 3 340.384 -0.160 20 5 EBBDHN COc1nc(N2CC[C@@H]3NCCO[C@H]3C2)nc(OC)c1[N+](=O)[O-] ZINC001165271080 832209730 /nfs/dbraw/zinc/20/97/30/832209730.db2.gz RCXRCMZFHULWPJ-IUCAKERBSA-N 0 3 325.325 -0.031 20 5 EBBDHN Cn1cnc([N+](=O)[O-])c1CNCCCNC(=O)c1ccc(C(N)=O)[nH]1 ZINC001166826585 832291033 /nfs/dbraw/zinc/29/10/33/832291033.db2.gz PAQBFZYKQSCBPI-UHFFFAOYSA-N 0 3 349.351 -0.335 20 5 EBBDHN NC(=O)CN(C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCOCC1 ZINC001175782376 832644854 /nfs/dbraw/zinc/64/48/54/832644854.db2.gz KSBXZFPNUDIFPS-GFCCVEGCSA-N 0 3 327.341 -0.882 20 5 EBBDHN COC(=O)COc1ccc(CNC[C@@H](O)[C@@H](C)O)cc1[N+](=O)[O-] ZINC001179274851 832965708 /nfs/dbraw/zinc/96/57/08/832965708.db2.gz UJFVEYLAOQRFOQ-BXKDBHETSA-N 0 3 328.321 -0.022 20 5 EBBDHN C[C@H](CCN1CCN(C)CC1)NC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC001320477272 838778326 /nfs/dbraw/zinc/77/83/26/838778326.db2.gz OZZAILLGAZBVMS-LLVKDONJSA-N 0 3 325.373 -0.672 20 5 EBBDHN O=C(CCCCc1c[nH]nn1)N1CC(NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001356758100 1130920743 /nfs/dbraw/zinc/92/07/43/1130920743.db2.gz AIYPIKUUOHUJQW-VXGBXAGGSA-N 0 3 336.352 -0.490 20 5 EBBDHN Cc1c(CNC(=O)C(=O)N2CCN(C)C[C@@H]2CN)cccc1[N+](=O)[O-] ZINC000580294288 377449596 /nfs/dbraw/zinc/44/95/96/377449596.db2.gz HIRUCJLDRNSSSL-ZDUSSCGKSA-N 0 3 349.391 -0.379 20 5 EBBDHN N[C@H]1C[C@H]2CN(C(=O)COc3cccc([N+](=O)[O-])c3)CCN2C1=O ZINC000565841959 377452379 /nfs/dbraw/zinc/45/23/79/377452379.db2.gz BATJTRGVJKRFAY-AAEUAGOBSA-N 0 3 334.332 -0.256 20 5 EBBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CNC[C@H]2CCCCS2(=O)=O)c1 ZINC000566674213 377600505 /nfs/dbraw/zinc/60/05/05/377600505.db2.gz FNDIDEIZUQDZEB-NWDGAFQWSA-N 0 3 332.382 -0.291 20 5 EBBDHN C[C@H]1C(=O)N(CCN(C)C)CN1c1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000591985436 377777786 /nfs/dbraw/zinc/77/77/86/377777786.db2.gz NKPMXIVCMRSFDL-VIFPVBQESA-N 0 3 336.352 -0.355 20 5 EBBDHN COC(=O)[C@@H]1C[C@@H](O)CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000592195983 377801553 /nfs/dbraw/zinc/80/15/53/377801553.db2.gz IVOAOFFGNFJJNG-JLLWLGSASA-N 0 3 328.325 -0.992 20 5 EBBDHN O=C(C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])NCC1C[NH2+]C1 ZINC000592540836 377840566 /nfs/dbraw/zinc/84/05/66/377840566.db2.gz PVYOSCFMNQHSSY-UHFFFAOYSA-N 0 3 328.350 -0.791 20 5 EBBDHN CN(C)CCN1CCN(c2ncc([N+](=O)[O-])cc2C(N)=O)CC1=O ZINC000593486056 377889355 /nfs/dbraw/zinc/88/93/55/377889355.db2.gz ILNZXWBUKQAAOF-UHFFFAOYSA-N 0 3 336.352 -0.701 20 5 EBBDHN C[C@@]1(NC(=O)C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CC[NH2+]C1 ZINC000595990979 378049540 /nfs/dbraw/zinc/04/95/40/378049540.db2.gz FCPBUMRIBJCWNX-CYBMUJFWSA-N 0 3 342.377 -0.259 20 5 EBBDHN CN(C)CCN(CCN(C)C)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599235476 378211286 /nfs/dbraw/zinc/21/12/86/378211286.db2.gz NZYNOSYHSXVWNP-UHFFFAOYSA-N 0 3 348.429 -0.558 20 5 EBBDHN C[C@H](NC(=O)C(=O)N1CCN(C)C[C@H]1CN)c1cccc([N+](=O)[O-])c1 ZINC000563522903 379039254 /nfs/dbraw/zinc/03/92/54/379039254.db2.gz UZIBSODGRMHYHX-SMDDNHRTSA-N 0 3 349.391 -0.127 20 5 EBBDHN CNS(=O)(=O)CCNC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000571159494 379089126 /nfs/dbraw/zinc/08/91/26/379089126.db2.gz PWYPAZQEMUPCOC-SNVBAGLBSA-N 0 3 333.366 -0.527 20 5 EBBDHN CS(=O)(=O)N1CCC[C@H](NC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000400167434 379185794 /nfs/dbraw/zinc/18/57/94/379185794.db2.gz ZEKNWKCOJVXTBE-CMPLNLGQSA-N 0 3 347.397 -0.834 20 5 EBBDHN CN(C)CCN1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000114676379 379376018 /nfs/dbraw/zinc/37/60/18/379376018.db2.gz FYVMLSAFBGMYIK-UHFFFAOYSA-N 0 3 337.380 -0.538 20 5 EBBDHN C[C@H](O)CN1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H](C)C1 ZINC000249525203 379369669 /nfs/dbraw/zinc/36/96/69/379369669.db2.gz XUUCDMMQUSHKIW-OBJOEFQTSA-N 0 3 327.385 -0.461 20 5 EBBDHN O=C(NCCn1cc([N+](=O)[O-])cn1)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000372037835 379413008 /nfs/dbraw/zinc/41/30/08/379413008.db2.gz QUGZYBSLRAAPCL-AAEUAGOBSA-N 0 3 338.368 -0.046 20 5 EBBDHN NC(=O)[C@@]1(O)CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000276480392 379477503 /nfs/dbraw/zinc/47/75/03/379477503.db2.gz SADCLKSHZNTNGZ-BXUZGUMPSA-N 0 3 325.321 -0.743 20 5 EBBDHN O=C1N[C@H]2CCN(C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C[C@@H]2CO1 ZINC000281245687 379520480 /nfs/dbraw/zinc/52/04/80/379520480.db2.gz GLIMCGQHNOKUIU-USWWRNFRSA-N 0 3 325.325 -0.418 20 5 EBBDHN Cc1nn(CCC(=O)NCCN2CC[C@H](O)C2)c(C)c1[N+](=O)[O-] ZINC000600807510 379659991 /nfs/dbraw/zinc/65/99/91/379659991.db2.gz IGFZXCCSIWKQCY-LBPRGKRZSA-N 0 3 325.369 -0.019 20 5 EBBDHN O=C(c1cc([N+](=O)[O-])n[n-]1)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000354535038 379707866 /nfs/dbraw/zinc/70/78/66/379707866.db2.gz DSFLWOFEGCTTMN-UHFFFAOYSA-N 0 3 339.352 -0.383 20 5 EBBDHN N[C@@H]1C[C@H]2CN(CC(=O)Nc3ccccc3[N+](=O)[O-])CCN2C1=O ZINC000574292620 379948880 /nfs/dbraw/zinc/94/88/80/379948880.db2.gz PAZJAXHZNKTHDE-WDEREUQCSA-N 0 3 333.348 -0.223 20 5 EBBDHN CNC(=O)C[C@@H](C)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000268795932 380083412 /nfs/dbraw/zinc/08/34/12/380083412.db2.gz DNKFWIUSDWQYOQ-SNVBAGLBSA-N 0 3 344.393 -0.013 20 5 EBBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H](C)C(=O)NCCN(C)C ZINC000579397487 380987486 /nfs/dbraw/zinc/98/74/86/380987486.db2.gz SGCJVABXFXKVGC-VIFPVBQESA-N 0 3 326.357 -0.718 20 5 EBBDHN NC(=O)[C@@H]1CC[C@H](CNC[C@H](O)COc2ccccc2[N+](=O)[O-])O1 ZINC000580828943 381038093 /nfs/dbraw/zinc/03/80/93/381038093.db2.gz RYVSWCAOYWNZBR-WDMOLILDSA-N 0 3 339.348 -0.043 20 5 EBBDHN N[C@H]1C[C@H]2CN(c3nc4ccc([N+](=O)[O-])cc4c(=O)[nH]3)CCN2C1=O ZINC000583575489 381515536 /nfs/dbraw/zinc/51/55/36/381515536.db2.gz HOBWTVFIOAGNDD-ONGXEEELSA-N 0 3 344.331 -0.008 20 5 EBBDHN COC(=O)c1ccc([N+](=O)[O-])c(N2CCN3C(=O)[C@H](N)C[C@@H]3C2)n1 ZINC000576887225 381930473 /nfs/dbraw/zinc/93/04/73/381930473.db2.gz FIPCKSGQVDVHGZ-RKDXNWHRSA-N 0 3 335.320 -0.475 20 5 EBBDHN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)CN)CC1 ZINC000263245185 154256895 /nfs/dbraw/zinc/25/68/95/154256895.db2.gz MQUCPDSNZGBIGW-UHFFFAOYSA-N 0 3 342.377 -0.305 20 5 EBBDHN NC1(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CCC1 ZINC000295512281 155070346 /nfs/dbraw/zinc/07/03/46/155070346.db2.gz VBBLZKBGYJONPX-UHFFFAOYSA-N 0 3 342.377 -0.129 20 5 EBBDHN Cc1nn(CCC(=O)NC[C@@]2(O)CCN(C)C2)c(C)c1[N+](=O)[O-] ZINC000358056122 157205429 /nfs/dbraw/zinc/20/54/29/157205429.db2.gz ZQSWDSFDYDZDIV-AWEZNQCLSA-N 0 3 325.369 -0.019 20 5 EBBDHN CN1CC[C@@](O)(CNC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000358419144 157242584 /nfs/dbraw/zinc/24/25/84/157242584.db2.gz IFRMRVICMLRRMG-OAHLLOKOSA-N 0 3 336.348 -0.493 20 5 EBBDHN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCN(C)C[C@@H]1CN ZINC000321453822 419051243 /nfs/dbraw/zinc/05/12/43/419051243.db2.gz QOIRULGPFPJNFI-NSHDSACASA-N 0 3 344.393 -0.133 20 5 EBBDHN C[C@H](CN)NC(=O)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000420026487 420908564 /nfs/dbraw/zinc/90/85/64/420908564.db2.gz JNVJYWUQBIASCM-LLVKDONJSA-N 0 3 335.364 -0.293 20 5 EBBDHN CC(C)(C[NH3+])C(=O)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000430389670 265148551 /nfs/dbraw/zinc/14/85/51/265148551.db2.gz BVOUSWXYNCIBMV-UHFFFAOYSA-N 0 3 344.393 -0.026 20 5 EBBDHN O=[N+]([O-])c1cccc([C@H](O)CNC[C@@H](O)CN2CCOCC2)c1 ZINC000843061012 584070855 /nfs/dbraw/zinc/07/08/55/584070855.db2.gz WOJBICJZDSKESX-HUUCEWRRSA-N 0 3 325.365 -0.089 20 5 EBBDHN O=C1OCCN1[C@H]1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000852431644 584212456 /nfs/dbraw/zinc/21/24/56/584212456.db2.gz FEDPAVSWCFOEKH-JQWIXIFHSA-N 0 3 325.325 -0.321 20 5 EBBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H](O)CN(C)C ZINC000361086229 584699413 /nfs/dbraw/zinc/69/94/13/584699413.db2.gz MTIHTYPDYCFROF-JTQLQIEISA-N 0 3 340.336 -0.419 20 5 EBBDHN O=C(NCCN1CCC(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)C(F)F ZINC001055478995 736351111 /nfs/dbraw/zinc/35/11/11/736351111.db2.gz GFUFGHZJULOLST-NXEZZACHSA-N 0 3 334.323 -0.387 20 5 EBBDHN CN(C)c1noc(CNC[C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)n1 ZINC000983648408 807068704 /nfs/dbraw/zinc/06/87/04/807068704.db2.gz ISAKRYOSQKIIEW-GWOFURMSSA-N 0 3 338.368 -0.215 20 5 EBBDHN Cn1cnc([N+](=O)[O-])c1CNC[C@H]1C[C@H](NC(=O)Cn2nccn2)C1 ZINC000983767417 807093306 /nfs/dbraw/zinc/09/33/06/807093306.db2.gz MQUFOYNIEDFJLR-XYPYZODXSA-N 0 3 348.367 -0.396 20 5 EBBDHN Cn1cnc([N+](=O)[O-])c1CNC[C@H]1C[C@H](NC(=O)Cn2cncn2)C1 ZINC000985101138 807443445 /nfs/dbraw/zinc/44/34/45/807443445.db2.gz OSBSCVNHZIEQDB-XYPYZODXSA-N 0 3 348.367 -0.396 20 5 EBBDHN CC(C)n1nnnc1CN[C@H]1C[C@@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001086082758 816224878 /nfs/dbraw/zinc/22/48/78/816224878.db2.gz CLZZRCUDNDNWLB-WRWGMCAJSA-N 0 3 337.384 -0.096 20 5 EBBDHN Cn1cnn(CCC(=O)NCCNCc2ccc([N+](=O)[O-])cc2)c1=O ZINC001131762532 829205530 /nfs/dbraw/zinc/20/55/30/829205530.db2.gz DYCVRTVJTYLOIT-UHFFFAOYSA-N 0 3 348.363 -0.214 20 5 EBBDHN CNS(=O)(=O)CC(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001151373675 831065090 /nfs/dbraw/zinc/06/50/90/831065090.db2.gz SUHOFTTUSTXSSX-UHFFFAOYSA-N 0 3 330.366 -0.650 20 5 EBBDHN CS(=O)(=O)c1ccc([N-][C@@]23CC[NH2+][C@@H]2CC(=O)N3)c([N+](=O)[O-])c1 ZINC001163254595 832094317 /nfs/dbraw/zinc/09/43/17/832094317.db2.gz OKNSNGUSIHWXSM-DGCLKSJQSA-N 0 3 340.361 -0.012 20 5 EBBDHN Cn1cnc([N+](=O)[O-])c1CNCCCCCCNC(=O)C(N)=O ZINC001179435424 832978196 /nfs/dbraw/zinc/97/81/96/832978196.db2.gz DHVJVZBNBJQVCQ-UHFFFAOYSA-N 0 3 326.357 -0.420 20 5 EBBDHN Cn1cnc([N+](=O)[O-])c1CNC1CCN(C(=O)CNC(N)=O)CC1 ZINC001199274598 835786486 /nfs/dbraw/zinc/78/64/86/835786486.db2.gz SKPIEPRUONAKBU-UHFFFAOYSA-N 0 3 339.356 -0.923 20 5 EBBDHN CC(C)(CO)N1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC001319488687 838138716 /nfs/dbraw/zinc/13/87/16/838138716.db2.gz GNTNNWDYXIOOPA-ZDUSSCGKSA-N 0 3 327.385 -0.459 20 5 EBBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCN([C@@H]3CCC[C@@H]3O)CC2)c1 ZINC001330089650 841113378 /nfs/dbraw/zinc/11/33/78/841113378.db2.gz UEZZOGDIRFMXBC-KFWWJZLASA-N 0 3 339.396 -0.317 20 5 EBBDHN O=C(CCc1nnc[nH]1)NC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001687283636 1125823316 /nfs/dbraw/zinc/82/33/16/1125823316.db2.gz BABBJYXRMXMXCB-GHMZBOCLSA-N 0 3 336.352 -0.490 20 5 EBBDHN Cc1cncn1CC(=O)NC[C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001489832687 1129078448 /nfs/dbraw/zinc/07/84/48/1129078448.db2.gz PZVQMDMMRFPPLP-YVECIDJPSA-N 0 3 335.364 -0.132 20 5 EBBDHN O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC000588863573 376397930 /nfs/dbraw/zinc/39/79/30/376397930.db2.gz QJCCAMLTIPMTQT-DGCLKSJQSA-N 0 3 336.348 -0.576 20 5 EBBDHN CN(C(=O)CN1CCN2C(=O)[C@H](N)C[C@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000570412254 377244348 /nfs/dbraw/zinc/24/43/48/377244348.db2.gz WYXCQIMHNMPNKT-UONOGXRCSA-N 0 3 347.375 -0.199 20 5 EBBDHN O=C1CNC(=O)N1CCNC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000570795492 377282291 /nfs/dbraw/zinc/28/22/91/377282291.db2.gz VNOVYKGEDZJGOQ-NSHDSACASA-N 0 3 338.320 -0.524 20 5 EBBDHN N[C@@H]1C[C@@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])s3)CCN2C1=O ZINC000580097029 377354791 /nfs/dbraw/zinc/35/47/91/377354791.db2.gz XUZAJGWYQKAMBA-HTQZYQBOSA-N 0 3 346.390 -0.411 20 5 EBBDHN N[C@@H]1C[C@H]2CN(C(=O)COc3cccc([N+](=O)[O-])c3)CCN2C1=O ZINC000565841965 377452564 /nfs/dbraw/zinc/45/25/64/377452564.db2.gz BATJTRGVJKRFAY-WCQYABFASA-N 0 3 334.332 -0.256 20 5 EBBDHN [NH3+]C[C@H]1CCN(C(=O)C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000592468880 377837167 /nfs/dbraw/zinc/83/71/67/377837167.db2.gz OCZBQKFPUGFYEH-SNVBAGLBSA-N 0 3 342.377 -0.320 20 5 EBBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C ZINC000592880136 377856714 /nfs/dbraw/zinc/85/67/14/377856714.db2.gz NSHXZTABWNKSHF-JTQLQIEISA-N 0 3 338.368 -0.322 20 5 EBBDHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000592878579 377856728 /nfs/dbraw/zinc/85/67/28/377856728.db2.gz HASJJPIVAAXHIV-LLVKDONJSA-N 0 3 338.368 -0.240 20 5 EBBDHN CN(CC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)c1ccccc1[N+](=O)[O-] ZINC000594885710 377967478 /nfs/dbraw/zinc/96/74/78/377967478.db2.gz CNVWHAGGONMSGQ-VXGBXAGGSA-N 0 3 347.375 -0.199 20 5 EBBDHN COC[C@H](O)CNCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000567262272 378027221 /nfs/dbraw/zinc/02/72/21/378027221.db2.gz IUTJZQSPPSGQDP-LLVKDONJSA-N 0 3 333.366 -0.530 20 5 EBBDHN NS(=O)(=O)c1ccc(NCCN2CC[C@H](O)C2)cc1[N+](=O)[O-] ZINC000599199865 378206132 /nfs/dbraw/zinc/20/61/32/378206132.db2.gz VBSHDHCDIAIOLJ-JTQLQIEISA-N 0 3 330.366 -0.279 20 5 EBBDHN CN1CC[C@](O)(CNc2ncnc(N3CCOCC3)c2[N+](=O)[O-])C1 ZINC000598616373 378173619 /nfs/dbraw/zinc/17/36/19/378173619.db2.gz VNWXWTNQKHXHOP-AWEZNQCLSA-N 0 3 338.368 -0.300 20 5 EBBDHN COC(=O)[C@]1(OC)CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000599562934 378258838 /nfs/dbraw/zinc/25/88/38/378258838.db2.gz KJXVNPQOSPOLMX-AAEUAGOBSA-N 0 3 328.325 -0.584 20 5 EBBDHN C[C@H]1CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCN1CC(C)(C)O ZINC000249318045 379168091 /nfs/dbraw/zinc/16/80/91/379168091.db2.gz FTEYSQITMKESGC-GXTWGEPZSA-N 0 3 341.412 -0.071 20 5 EBBDHN NC(=O)[C@]1(O)CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000276587602 379480870 /nfs/dbraw/zinc/48/08/70/379480870.db2.gz PKMQQRFZJTVBLB-HZMBPMFUSA-N 0 3 325.321 -0.743 20 5 EBBDHN CC[C@@H](CO)N1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000075962717 379745199 /nfs/dbraw/zinc/74/51/99/379745199.db2.gz ADVDWYGOFYLADO-GXTWGEPZSA-N 0 3 327.385 -0.459 20 5 EBBDHN CNc1nc(C(=O)N[C@H](C)C(=O)NCCN(C)C)ccc1[N+](=O)[O-] ZINC000584848718 381219693 /nfs/dbraw/zinc/21/96/93/381219693.db2.gz YHOJMZAKCMQXMI-SECBINFHSA-N 0 3 338.368 -0.172 20 5 EBBDHN [NH3+]CCCCNC(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000575869926 381236796 /nfs/dbraw/zinc/23/67/96/381236796.db2.gz REXFMJBYLRMVTD-UHFFFAOYSA-N 0 3 330.366 -0.272 20 5 EBBDHN O=C(NCCn1cc([N+](=O)[O-])cn1)NC[C@@H]1CCCCN1CCO ZINC000458549450 381246818 /nfs/dbraw/zinc/24/68/18/381246818.db2.gz CRJVJTWJWAOAJQ-LBPRGKRZSA-N 0 3 340.384 -0.063 20 5 EBBDHN CN(C)C[C@@H](O)CNC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000351183084 381275125 /nfs/dbraw/zinc/27/51/25/381275125.db2.gz LJPAEPMRJADEFU-NSHDSACASA-N 0 3 328.300 -0.289 20 5 EBBDHN CC(C)[C@H](N)C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000262098410 154212042 /nfs/dbraw/zinc/21/20/42/154212042.db2.gz CGSCTFSGYGNDKK-LBPRGKRZSA-N 0 3 344.393 -0.027 20 5 EBBDHN NC1(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000262110432 154213157 /nfs/dbraw/zinc/21/31/57/154213157.db2.gz GXPUUWWBJZMFQK-UHFFFAOYSA-N 0 3 328.350 -0.519 20 5 EBBDHN C[C@H](CNC(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])[NH+](C)C ZINC000294424304 155060950 /nfs/dbraw/zinc/06/09/50/155060950.db2.gz PXJKFHGLAVJUKP-SNVBAGLBSA-N 0 3 344.393 -0.061 20 5 EBBDHN CN(C)CCOc1cc(CNC(=O)Cn2cnc([N+](=O)[O-])n2)ccn1 ZINC000342875833 156066889 /nfs/dbraw/zinc/06/68/89/156066889.db2.gz IJFNOVHIYNVDTD-UHFFFAOYSA-N 0 3 349.351 -0.162 20 5 EBBDHN N[C@@H]1C[C@H]2CN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CCN2C1=O ZINC000522014227 420898814 /nfs/dbraw/zinc/89/88/14/420898814.db2.gz LUWLRZCFESGUPF-VHSXEESVSA-N 0 3 340.361 -0.473 20 5 EBBDHN [NH3+]C[C@H](NC(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000422856732 420921881 /nfs/dbraw/zinc/92/18/81/420921881.db2.gz FZXWLUQTDAFFAN-JTQLQIEISA-N 0 3 342.377 -0.273 20 5 EBBDHN C[C@@H](CC[NH3+])NC(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000423500098 265008196 /nfs/dbraw/zinc/00/81/96/265008196.db2.gz CSHDKWPTABUTSY-VIFPVBQESA-N 0 3 330.366 -0.273 20 5 EBBDHN C[C@H]1CN(CCCNC(=O)Cn2cnc([N+](=O)[O-])n2)CCCO1 ZINC000432578784 265176945 /nfs/dbraw/zinc/17/69/45/265176945.db2.gz IGWSYRKXZFRCBL-NSHDSACASA-N 0 3 326.357 -0.197 20 5 EBBDHN COC(=O)[C@H](O)C1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000441237210 265302986 /nfs/dbraw/zinc/30/29/86/265302986.db2.gz VYPAVOQPKBCAIU-QWHCGFSZSA-N 0 3 342.352 -0.602 20 5 EBBDHN C[C@@H]1[C@@H](N2CCOCC2)CCN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000351982130 279089725 /nfs/dbraw/zinc/08/97/25/279089725.db2.gz MXPJFKMDKWLNQM-YUELXQCFSA-N 0 3 339.396 -0.053 20 5 EBBDHN O=[N+]([O-])c1ccc([C@H](O)CNC[C@H](O)CN2CCOCC2)cc1 ZINC000746286180 583104743 /nfs/dbraw/zinc/10/47/43/583104743.db2.gz NKGIMFUUTHTQIU-LSDHHAIUSA-N 0 3 325.365 -0.089 20 5 EBBDHN CON(C)C(=O)C1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000812867946 583696937 /nfs/dbraw/zinc/69/69/37/583696937.db2.gz HCMHNLMVGWGZRQ-ZDUSSCGKSA-N 0 3 341.368 -0.116 20 5 EBBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CNCCS(=O)(=O)CC2CC2)c1 ZINC000819172613 583755701 /nfs/dbraw/zinc/75/57/01/583755701.db2.gz CUGUJKBLRCIGOL-LBPRGKRZSA-N 0 3 332.382 -0.433 20 5 EBBDHN O=C1N[C@H]2CN(C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC[C@@H]2CO1 ZINC000830944221 583972485 /nfs/dbraw/zinc/97/24/85/583972485.db2.gz WLAWINZVNDQKNK-JLLWLGSASA-N 0 3 325.325 -0.418 20 5 EBBDHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000844037270 584086715 /nfs/dbraw/zinc/08/67/15/584086715.db2.gz UGLPVJUHQLHEPS-VIFPVBQESA-N 0 3 336.352 -0.236 20 5 EBBDHN O=C(N[C@H]1C[C@H](NCc2ncnn2CCF)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001020139069 729081879 /nfs/dbraw/zinc/08/18/79/729081879.db2.gz PKHXGPIVNQHSRB-GWOFURMSSA-N 0 3 326.332 -0.350 20 5 EBBDHN COCc1noc(CNC[C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)n1 ZINC000983649041 807068628 /nfs/dbraw/zinc/06/86/28/807068628.db2.gz NFLXGYTTWQNNAU-GWOFURMSSA-N 0 3 339.352 -0.134 20 5 EBBDHN Cn1cnc(C(=O)N(CCO)CCNCc2ccc([N+](=O)[O-])cc2)n1 ZINC001272154087 816329205 /nfs/dbraw/zinc/32/92/05/816329205.db2.gz ANZBDGFAYCKZQT-UHFFFAOYSA-N 0 3 348.363 -0.052 20 5 EBBDHN O=C([C@@H]1CC1[N+](=O)[O-])N1CCc2sc(CNCCO)nc2C1 ZINC001316809183 821864326 /nfs/dbraw/zinc/86/43/26/821864326.db2.gz JUONKJHZBPEEFK-PSASIEDQSA-N 0 3 326.378 -0.225 20 5 EBBDHN CN(CCNCc1ccc([N+](=O)[O-])cc1)C(=O)Cn1ncn(C)c1=O ZINC001317604319 822175424 /nfs/dbraw/zinc/17/54/24/822175424.db2.gz PRAZNKTVTXDAGU-UHFFFAOYSA-N 0 3 348.363 -0.262 20 5 EBBDHN NCC(=O)N[C@@H](CO)c1nc(-c2ncc(F)cc2[N+](=O)[O-])no1 ZINC001211959082 837504844 /nfs/dbraw/zinc/50/48/44/837504844.db2.gz YMQLLUAWWDSICI-LURJTMIESA-N 0 3 326.244 -0.713 20 5 EBBDHN CN(CCCNC(=O)CCN1CCOCC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001351712819 832274084 /nfs/dbraw/zinc/27/40/84/832274084.db2.gz JUGNULVTQIBVFA-CHWSQXEVSA-N 0 3 342.396 -0.661 20 5 EBBDHN C[C@@H]1CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H](C)CN1CCO ZINC001195279070 835209070 /nfs/dbraw/zinc/20/90/70/835209070.db2.gz MMKIFHGIBYCDOU-BZPMIXESSA-N 0 3 327.385 -0.461 20 5 EBBDHN CN(CCCNCc1c([N+](=O)[O-])ncn1C)C(=O)c1cn(C)nn1 ZINC001483464308 1126428977 /nfs/dbraw/zinc/42/89/77/1126428977.db2.gz YTHANWMAUYRFJH-UHFFFAOYSA-N 0 3 336.356 -0.291 20 5 EBBDHN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@H](CO)CN(C)C ZINC000588864398 376397124 /nfs/dbraw/zinc/39/71/24/376397124.db2.gz HAIBDLDDCDEURW-PWSUYJOCSA-N 0 3 338.364 -0.248 20 5 EBBDHN O=C1NC(=O)[C@@H]2CN([C@@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)C[C@H]12 ZINC000451638392 376603577 /nfs/dbraw/zinc/60/35/77/376603577.db2.gz ZHZBAUXKELYSJF-FRRDWIJNSA-N 0 3 344.327 -0.096 20 5 EBBDHN CC1(C)CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCN1CCO ZINC000614920066 377164864 /nfs/dbraw/zinc/16/48/64/377164864.db2.gz CQIUZPMUAAJBOV-CYBMUJFWSA-N 0 3 327.385 -0.459 20 5 EBBDHN N[C@H]1C[C@@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])s3)CCN2C1=O ZINC000580097031 377355597 /nfs/dbraw/zinc/35/55/97/377355597.db2.gz XUZAJGWYQKAMBA-SFYZADRCSA-N 0 3 346.390 -0.411 20 5 EBBDHN CS(=O)(=O)NCCNC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000564652351 377444210 /nfs/dbraw/zinc/44/42/10/377444210.db2.gz YWWBSGHBKCNUSJ-NSHDSACASA-N 0 3 333.366 -0.527 20 5 EBBDHN Cc1c(CNC(=O)C(=O)N2CCN(C)C[C@H]2CN)cccc1[N+](=O)[O-] ZINC000580294287 377450109 /nfs/dbraw/zinc/45/01/09/377450109.db2.gz HIRUCJLDRNSSSL-CYBMUJFWSA-N 0 3 349.391 -0.379 20 5 EBBDHN O=c1cc(CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)nc2ccccn12 ZINC000592998357 377869007 /nfs/dbraw/zinc/86/90/07/377869007.db2.gz SBHRSGFCKLXMST-ZDUSSCGKSA-N 0 3 344.331 -0.050 20 5 EBBDHN [NH3+][C@H]1C[C@H](C(=O)NCC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000595947631 378043427 /nfs/dbraw/zinc/04/34/27/378043427.db2.gz SUCIJQNOVSACNE-MGCOHNPYSA-N 0 3 342.377 -0.273 20 5 EBBDHN CN(C)CCN1CCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)CC1=O ZINC000596290628 378059007 /nfs/dbraw/zinc/05/90/07/378059007.db2.gz PYWVPARPIOOYEL-UHFFFAOYSA-N 0 3 335.364 -0.096 20 5 EBBDHN CN1CC[C@@](O)(CNc2ncnc(N3CCOCC3)c2[N+](=O)[O-])C1 ZINC000598616375 378174559 /nfs/dbraw/zinc/17/45/59/378174559.db2.gz VNWXWTNQKHXHOP-CQSZACIVSA-N 0 3 338.368 -0.300 20 5 EBBDHN CCN(CCN)C(=O)C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000599947130 378283287 /nfs/dbraw/zinc/28/32/87/378283287.db2.gz REGSFELZNSPFOJ-UHFFFAOYSA-N 0 3 334.336 -0.106 20 5 EBBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000571179952 378549477 /nfs/dbraw/zinc/54/94/77/378549477.db2.gz ZIENDJWDHJZQKZ-JQWIXIFHSA-N 0 3 334.332 -0.013 20 5 EBBDHN COCCNCCNC(=O)C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000420177069 379352182 /nfs/dbraw/zinc/35/21/82/379352182.db2.gz BLMBVADZHPONQX-UHFFFAOYSA-N 0 3 338.364 -0.095 20 5 EBBDHN C[C@@H]1C[C@H](N2CCOCC2)CN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000352887979 379685997 /nfs/dbraw/zinc/68/59/97/379685997.db2.gz MCXHEJPFOFQDST-IPYPFGDCSA-N 0 3 339.396 -0.053 20 5 EBBDHN N[C@@H]1C[C@@H]2CN(CC(=O)Nc3ccccc3[N+](=O)[O-])CCN2C1=O ZINC000574292617 379949252 /nfs/dbraw/zinc/94/92/52/379949252.db2.gz PAZJAXHZNKTHDE-GHMZBOCLSA-N 0 3 333.348 -0.223 20 5 EBBDHN C[C@@H](CO)N1CCCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000346613252 380736301 /nfs/dbraw/zinc/73/63/01/380736301.db2.gz GYHFOIWEMHTXIS-GXTWGEPZSA-N 0 3 327.385 -0.459 20 5 EBBDHN N[C@@H]1C[C@H]2CN(C(=O)CNc3ccccc3[N+](=O)[O-])CCN2C1=O ZINC000582976374 381091416 /nfs/dbraw/zinc/09/14/16/381091416.db2.gz WXTJBQOTOOZKJB-WDEREUQCSA-N 0 3 333.348 -0.223 20 5 EBBDHN N[C@@H]1C[C@@H]2CN(C(=O)COc3ccc([N+](=O)[O-])cc3)CCN2C1=O ZINC000577412021 382048526 /nfs/dbraw/zinc/04/85/26/382048526.db2.gz NLJHFHAWSDHLSB-DGCLKSJQSA-N 0 3 334.332 -0.256 20 5 EBBDHN CN1CC[C@](O)(CNC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)C1 ZINC000358076663 157208345 /nfs/dbraw/zinc/20/83/45/157208345.db2.gz WKLKHTARTPDGKU-HNNXBMFYSA-N 0 3 346.347 -0.028 20 5 EBBDHN COc1ccc(NC(=O)C(=O)NC[C@@H](O)CN(C)C)cc1[N+](=O)[O-] ZINC000360576257 157385706 /nfs/dbraw/zinc/38/57/06/157385706.db2.gz LBWPNSPLLXZCOO-SNVBAGLBSA-N 0 3 340.336 -0.419 20 5 EBBDHN O=C(NC[C@H]1CNCCO1)C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000516264433 419090969 /nfs/dbraw/zinc/09/09/69/419090969.db2.gz PEARPOCLJVSMBF-GFCCVEGCSA-N 0 3 348.359 -0.416 20 5 EBBDHN CN1CCCN(CCCNc2nccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000589565538 421204036 /nfs/dbraw/zinc/20/40/36/421204036.db2.gz FBHILHNEWZAWLG-UHFFFAOYSA-N 0 3 336.396 0.528 20 5 EBBDHN CN(CCN)C(=O)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000423147265 264986917 /nfs/dbraw/zinc/98/69/17/264986917.db2.gz CGDJLGVNYRWPEM-UHFFFAOYSA-N 0 3 335.364 -0.340 20 5 EBBDHN C[C@@H]([NH3+])[C@@H](C)NC(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000423679177 265030975 /nfs/dbraw/zinc/03/09/75/265030975.db2.gz LSOMDCNMMDAPOC-RKDXNWHRSA-N 0 3 330.366 -0.275 20 5 EBBDHN Cc1cc(C(=O)NCC(=O)NC[C@H]2CNCCO2)ccc1[N+](=O)[O-] ZINC000423991292 265045754 /nfs/dbraw/zinc/04/57/54/265045754.db2.gz LNENDKMSKNYFPS-GFCCVEGCSA-N 0 3 336.348 -0.262 20 5 EBBDHN CC(COC(=O)c1ccc(S(=O)(=O)CC(N)=O)cc1)[N+](=O)[O-] ZINC000813103484 583698013 /nfs/dbraw/zinc/69/80/13/583698013.db2.gz BZYOZNITFZJORL-MRVPVSSYSA-N 0 3 330.318 -0.232 20 5 EBBDHN O=[N+]([O-])c1cnn(C[C@H](O)CNCCS(=O)(=O)CC2CC2)c1 ZINC000819172611 583755732 /nfs/dbraw/zinc/75/57/32/583755732.db2.gz CUGUJKBLRCIGOL-GFCCVEGCSA-N 0 3 332.382 -0.433 20 5 EBBDHN O=C1c2ccc([N+](=O)[O-])cc2S(=O)(=O)N1C[C@H]1CNCCO1 ZINC000849240069 584167416 /nfs/dbraw/zinc/16/74/16/584167416.db2.gz DNQYQHBGDNYBNL-SECBINFHSA-N 0 3 327.318 -0.272 20 5 EBBDHN CN(C)C[C@H](CO)NC(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000854467636 584241038 /nfs/dbraw/zinc/24/10/38/584241038.db2.gz WRWSFNJLAFOCHF-LLVKDONJSA-N 0 3 325.321 -0.175 20 5 EBBDHN Cc1cc(C(=O)N2C[C@H]3CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C[C@H]3C2)n[nH]1 ZINC000961120711 722902265 /nfs/dbraw/zinc/90/22/65/722902265.db2.gz UTAPZGPQEPOUSY-LSCVPOLPSA-N 0 3 333.348 -0.086 20 5 EBBDHN Cc1cncn1CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000976478283 726322952 /nfs/dbraw/zinc/32/29/52/726322952.db2.gz SFMHDCLHOGUNDQ-DIACKHNESA-N 0 3 333.348 -0.570 20 5 EBBDHN NC(=O)[C@@H](N)Cc1ccc(O[C@@H]2COc3nc([N+](=O)[O-])cn3C2)cc1 ZINC001218337654 810486881 /nfs/dbraw/zinc/48/68/81/810486881.db2.gz YQUGEOGIWDJUQC-RYUDHWBXSA-N 0 3 347.331 -0.014 20 5 EBBDHN O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC001253411377 812679370 /nfs/dbraw/zinc/67/93/70/812679370.db2.gz ICINOUMMEJCRGL-VXGBXAGGSA-N 0 3 336.348 -0.264 20 5 EBBDHN Cc1cc(CNCCN(CCO)C(=O)[C@@H]2CC2[N+](=O)[O-])nn1C ZINC001279710909 817973786 /nfs/dbraw/zinc/97/37/86/817973786.db2.gz FIKMXUQTPDSKLS-CHWSQXEVSA-N 0 3 325.369 -0.696 20 5 EBBDHN CN(CCN(C)c1ncc([N+](=O)[O-])c(N)n1)C(=O)CN1CCCC1 ZINC001105405267 821742791 /nfs/dbraw/zinc/74/27/91/821742791.db2.gz URDAQZISBDKPKB-UHFFFAOYSA-N 0 3 337.384 -0.043 20 5 EBBDHN CCN1CCC[C@H]1CNC(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC001117603897 826783728 /nfs/dbraw/zinc/78/37/28/826783728.db2.gz LWUKUVCPGVWAQE-NSHDSACASA-N 0 3 338.368 -0.492 20 5 EBBDHN CN1CCN(CC(=O)NCCNCc2ccc([N+](=O)[O-])cc2)CC1=O ZINC001130551929 828879218 /nfs/dbraw/zinc/87/92/18/828879218.db2.gz ZSCYHQXXCSWCEB-UHFFFAOYSA-N 0 3 349.391 -0.425 20 5 EBBDHN O=C(NCCNCc1cccc([N+](=O)[O-])c1)C1CC(=O)NC(=O)C1 ZINC001135270599 829935707 /nfs/dbraw/zinc/93/57/07/829935707.db2.gz YOIUMHDDESPNDJ-UHFFFAOYSA-N 0 3 334.332 -0.147 20 5 EBBDHN Cn1cnc([N+](=O)[O-])c1CNCCCCCCNC(=O)CC(N)=O ZINC001178082624 832821132 /nfs/dbraw/zinc/82/11/32/832821132.db2.gz TVHDPQKGAOTLGI-UHFFFAOYSA-N 0 3 340.384 -0.030 20 5 EBBDHN Cn1cnc([N+](=O)[O-])c1CNC1(CNC(=O)C2=NC(=O)N(C)C2)CC1 ZINC001323529578 839464420 /nfs/dbraw/zinc/46/44/20/839464420.db2.gz BAPAKINKXPFHMV-UHFFFAOYSA-N 0 3 349.351 -0.180 20 5 EBBDHN O=C1NC2(CO1)CCN(C[C@H](O)Cn1cc([N+](=O)[O-])cn1)CC2 ZINC001342230285 843150645 /nfs/dbraw/zinc/15/06/45/843150645.db2.gz ZRPOOAQSNAORLP-NSHDSACASA-N 0 3 325.325 -0.273 20 5 EBBDHN O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CC[C@@H](N2CC[C@H](O)C2)C1 ZINC000588863577 376396730 /nfs/dbraw/zinc/39/67/30/376396730.db2.gz QJCCAMLTIPMTQT-YPMHNXCESA-N 0 3 336.348 -0.576 20 5 EBBDHN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](CO)CN(C)C ZINC000588864399 376397214 /nfs/dbraw/zinc/39/72/14/376397214.db2.gz HAIBDLDDCDEURW-ZYHUDNBSSA-N 0 3 338.364 -0.248 20 5 EBBDHN CCN1CC[C@@H]2OCCN(C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)[C@H]2C1 ZINC000339395677 376654406 /nfs/dbraw/zinc/65/44/06/376654406.db2.gz MFYNYCXZMMOIBH-ILXRZTDVSA-N 0 3 339.396 -0.053 20 5 EBBDHN COC(=O)C[C@]1(NC[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCOC1 ZINC000362269411 376725798 /nfs/dbraw/zinc/72/57/98/376725798.db2.gz IYWTZKHSNIKZSS-WCQYABFASA-N 0 3 328.325 -0.536 20 5 EBBDHN CN(Cc1ccccc1[N+](=O)[O-])C(=O)C(=O)N1CCN(C)C[C@H]1CN ZINC000562961661 377066449 /nfs/dbraw/zinc/06/64/49/377066449.db2.gz LYBYABXLOJFDNO-CYBMUJFWSA-N 0 3 349.391 -0.346 20 5 EBBDHN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@H](CO)CN(C)C ZINC000590369799 377479771 /nfs/dbraw/zinc/47/97/71/377479771.db2.gz NLWVCGXYHSIBHK-WDEREUQCSA-N 0 3 342.400 -0.134 20 5 EBBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC[C@@H](N3CCOCC3)C2)c1 ZINC000566425559 377530456 /nfs/dbraw/zinc/53/04/56/377530456.db2.gz FBXSHMAHKCPAHA-HIFRSBDPSA-N 0 3 339.396 -0.051 20 5 EBBDHN CS(=O)(=O)c1cc(C(=O)NC[C@H]2CNCCO2)cc([N+](=O)[O-])c1 ZINC000591687463 377749998 /nfs/dbraw/zinc/74/99/98/377749998.db2.gz JSLQQISUPBXHBV-LLVKDONJSA-N 0 3 343.361 -0.284 20 5 EBBDHN CCn1cc([N+](=O)[O-])c(C(=O)N2CCN(CCN(C)C)C(=O)C2)n1 ZINC000593235305 377877584 /nfs/dbraw/zinc/87/75/84/377877584.db2.gz NDHJCYVBXVIIKB-UHFFFAOYSA-N 0 3 338.368 -0.343 20 5 EBBDHN CN(C)CCN1CCN(c2c(C(N)=O)cccc2[N+](=O)[O-])CC1=O ZINC000593486170 377889755 /nfs/dbraw/zinc/88/97/55/377889755.db2.gz OCOHVYJFXQFETA-UHFFFAOYSA-N 0 3 335.364 -0.096 20 5 EBBDHN CN(C)CCN(CC(=O)N(C)C)C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000598185184 378157956 /nfs/dbraw/zinc/15/79/56/378157956.db2.gz HHWVSPVULXWWPP-UHFFFAOYSA-N 0 3 340.384 -0.340 20 5 EBBDHN C[C@@H]1CN(CC(C)(C)O)CCN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000249397114 379357888 /nfs/dbraw/zinc/35/78/88/379357888.db2.gz RVDSFHAQAPHKDX-TZMCWYRMSA-N 0 3 341.412 -0.071 20 5 EBBDHN CN1CCC(CCO)(NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000354147737 379706037 /nfs/dbraw/zinc/70/60/37/379706037.db2.gz IVIVDTPONYOZAV-UHFFFAOYSA-N 0 3 338.364 -0.281 20 5 EBBDHN N[C@H]1C[C@@H]2CN(CC(=O)Nc3ccccc3[N+](=O)[O-])CCN2C1=O ZINC000574292618 379948890 /nfs/dbraw/zinc/94/88/90/379948890.db2.gz PAZJAXHZNKTHDE-MNOVXSKESA-N 0 3 333.348 -0.223 20 5 EBBDHN C[C@H](CO)N1CCCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000346613254 380736146 /nfs/dbraw/zinc/73/61/46/380736146.db2.gz GYHFOIWEMHTXIS-OCCSQVGLSA-N 0 3 327.385 -0.459 20 5 EBBDHN NC(=O)COc1cccc(CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000581938527 381121640 /nfs/dbraw/zinc/12/16/40/381121640.db2.gz GRPLCFAUPGDFRU-ZDUSSCGKSA-N 0 3 349.347 -0.194 20 5 EBBDHN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H]1CNCCO1 ZINC000262305751 154223178 /nfs/dbraw/zinc/22/31/78/154223178.db2.gz PDNPDWCBFHAVMY-SNVBAGLBSA-N 0 3 331.350 -0.130 20 5 EBBDHN N[C@@H]1C[C@@H]1C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000424102066 265047836 /nfs/dbraw/zinc/04/78/36/265047836.db2.gz AHSAKTCVELPBBN-WDEREUQCSA-N 0 3 328.350 -0.664 20 5 EBBDHN O=[N+]([O-])c1cccc([C@@H](O)CNC[C@@H](O)CN2CCOCC2)c1 ZINC000843061008 584070994 /nfs/dbraw/zinc/07/09/94/584070994.db2.gz WOJBICJZDSKESX-CABCVRRESA-N 0 3 325.365 -0.089 20 5 EBBDHN O=C1OCCN1[C@@H]1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000852431646 584212474 /nfs/dbraw/zinc/21/24/74/584212474.db2.gz FEDPAVSWCFOEKH-ZYHUDNBSSA-N 0 3 325.325 -0.321 20 5 EBBDHN CN1CCN(CC2CN(C(=O)CCn3cc([N+](=O)[O-])cn3)C2)CC1 ZINC001117762458 826807622 /nfs/dbraw/zinc/80/76/22/826807622.db2.gz QOERIFGLERLVCO-UHFFFAOYSA-N 0 3 336.396 -0.113 20 5 EBBDHN Cc1ncc([N+](=O)[O-])n1CC(=O)N(CCN(C)C)CC(=O)N(C)C ZINC001130806216 828944110 /nfs/dbraw/zinc/94/41/10/828944110.db2.gz HUOHNOCDVXNGLI-UHFFFAOYSA-N 0 3 340.384 -0.422 20 5 EBBDHN O=C(CN1C(=O)CNC1=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001150331097 830863813 /nfs/dbraw/zinc/86/38/13/830863813.db2.gz FMZRSTHIGYVMID-UHFFFAOYSA-N 0 3 335.320 -0.648 20 5 EBBDHN O=C(NCCCNCc1nc(-c2ccncn2)no1)[C@@H]1CC1[N+](=O)[O-] ZINC001157767881 831591671 /nfs/dbraw/zinc/59/16/71/831591671.db2.gz ZSRZYRQPIJWZEQ-MWLCHTKSSA-N 0 3 347.335 -0.212 20 5 EBBDHN O=C(Cn1ncnn1)NCCCNCc1csc([N+](=O)[O-])c1 ZINC001158162999 831633242 /nfs/dbraw/zinc/63/32/42/831633242.db2.gz FLZYDOZVOMXYKY-UHFFFAOYSA-N 0 3 325.354 -0.061 20 5 EBBDHN Cc1[nH]c(=O)[nH]c1C(=O)NCCCNCc1c([N+](=O)[O-])ncn1C ZINC001160516624 831859940 /nfs/dbraw/zinc/85/99/40/831859940.db2.gz VFIHEICHCNIAKF-UHFFFAOYSA-N 0 3 337.340 -0.025 20 5 EBBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCN(C[C@@H]3CCOC3)CC2)c1 ZINC001319011739 838060415 /nfs/dbraw/zinc/06/04/15/838060415.db2.gz GPYYKEZBSUIOKH-ZFWWWQNUSA-N 0 3 339.396 -0.194 20 5 EBBDHN O=C(Cn1cc([N+](=O)[O-])ccc1=O)NC[C@@]1(O)CN2CCC1CC2 ZINC000558034262 375892844 /nfs/dbraw/zinc/89/28/44/375892844.db2.gz CKRKMEGCVDWCNP-OAHLLOKOSA-N 0 3 336.348 -0.671 20 5 EBBDHN CO[C@H](CN)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000289893279 377011689 /nfs/dbraw/zinc/01/16/89/377011689.db2.gz IQMARTGNMMPCQQ-CYBMUJFWSA-N 0 3 336.348 -0.147 20 5 EBBDHN C[C@]1(NC(=O)C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CC[NH2+]C1 ZINC000595990981 378050033 /nfs/dbraw/zinc/05/00/33/378050033.db2.gz FCPBUMRIBJCWNX-ZDUSSCGKSA-N 0 3 342.377 -0.259 20 5 EBBDHN CCS(=O)(=O)C1(CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000596066165 378052079 /nfs/dbraw/zinc/05/20/79/378052079.db2.gz ZHKKTEFBVXHJHM-NSHDSACASA-N 0 3 332.382 -0.291 20 5 EBBDHN CN([C@@H](CN)C(F)(F)F)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599100153 378196704 /nfs/dbraw/zinc/19/67/04/378196704.db2.gz KKCRPLTZQGQIOP-LURJTMIESA-N 0 3 331.276 -0.162 20 5 EBBDHN CN([C@H](CN)C(F)(F)F)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599100155 378196894 /nfs/dbraw/zinc/19/68/94/378196894.db2.gz KKCRPLTZQGQIOP-ZCFIWIBFSA-N 0 3 331.276 -0.162 20 5 EBBDHN NS(=O)(=O)c1cc(NCCN2CC[C@@H](O)C2)cc([N+](=O)[O-])c1 ZINC000599176294 378200723 /nfs/dbraw/zinc/20/07/23/378200723.db2.gz PXFXTIXHFBMLLA-LLVKDONJSA-N 0 3 330.366 -0.279 20 5 EBBDHN CCn1cc([N+](=O)[O-])c(C(=O)N(CCN(C)C)CC(=O)N(C)C)n1 ZINC000598185954 378158530 /nfs/dbraw/zinc/15/85/30/378158530.db2.gz QVWJVEKDKPDMNF-UHFFFAOYSA-N 0 3 340.384 -0.097 20 5 EBBDHN CC(C)(CNC[C@H](O)Cn1cc([N+](=O)[O-])cn1)NS(C)(=O)=O ZINC000316220061 378499773 /nfs/dbraw/zinc/49/97/73/378499773.db2.gz DRDLPNOKSKKHEN-JTQLQIEISA-N 0 3 335.386 -0.930 20 5 EBBDHN CN1CCN(C(=O)C(=O)NCCc2cccc([N+](=O)[O-])c2)[C@H](CN)C1 ZINC000569794965 378503523 /nfs/dbraw/zinc/50/35/23/378503523.db2.gz VCQIFLQUQWHKSS-CQSZACIVSA-N 0 3 349.391 -0.645 20 5 EBBDHN NC[C@@H](NC(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1)C1CCCC1 ZINC000419465373 379341608 /nfs/dbraw/zinc/34/16/08/379341608.db2.gz OWLBZNSIJSHKFA-GFCCVEGCSA-N 0 3 338.368 -0.459 20 5 EBBDHN Cc1ccc([C@H](C)NC(=O)C(=O)N(CCN)CCO)cc1[N+](=O)[O-] ZINC000419277969 379342101 /nfs/dbraw/zinc/34/21/01/379342101.db2.gz VDANHYCYMLBXCL-NSHDSACASA-N 0 3 338.364 -0.140 20 5 EBBDHN NC(=O)[C@@]1(O)CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000276480396 379478796 /nfs/dbraw/zinc/47/87/96/379478796.db2.gz SADCLKSHZNTNGZ-SMDDNHRTSA-N 0 3 325.321 -0.743 20 5 EBBDHN CO[C@H](CN)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000353174888 379618079 /nfs/dbraw/zinc/61/80/79/379618079.db2.gz WOJNLZHVGYYVOX-SECBINFHSA-N 0 3 342.377 -0.086 20 5 EBBDHN CC[C@@H](CO)N1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000075962713 379745697 /nfs/dbraw/zinc/74/56/97/379745697.db2.gz ADVDWYGOFYLADO-JSGCOSHPSA-N 0 3 327.385 -0.459 20 5 EBBDHN CNC(=O)C[C@@H](C)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000268842469 380168920 /nfs/dbraw/zinc/16/89/20/380168920.db2.gz QZOFDNBTBMLTPW-SNVBAGLBSA-N 0 3 344.393 -0.013 20 5 EBBDHN CN(C)[C@H]1CN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@@H]1O ZINC000582763617 381064937 /nfs/dbraw/zinc/06/49/37/381064937.db2.gz OLHPMHWGYSSVQA-XBFCOCLRSA-N 0 3 325.365 -0.059 20 5 EBBDHN COC(=O)COc1ccc(CNC[C@](C)(O)CO)cc1[N+](=O)[O-] ZINC000619464291 381189437 /nfs/dbraw/zinc/18/94/37/381189437.db2.gz NFRCVNCKOZXLEM-AWEZNQCLSA-N 0 3 328.321 -0.021 20 5 EBBDHN N[C@@H]1C[C@H]2CN(c3cc4nc[nH]c(=O)c4cc3[N+](=O)[O-])CCN2C1=O ZINC000580465406 381759822 /nfs/dbraw/zinc/75/98/22/381759822.db2.gz HNOYPPMGPXGNJS-WCBMZHEXSA-N 0 3 344.331 -0.008 20 5 EBBDHN COCCNCCNC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000261858275 154203538 /nfs/dbraw/zinc/20/35/38/154203538.db2.gz AECGTESDNKQGBS-UHFFFAOYSA-N 0 3 345.377 -0.036 20 5 EBBDHN CC(C)[C@H](N)C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000262146616 154215360 /nfs/dbraw/zinc/21/53/60/154215360.db2.gz QJXLDVGSKHUCBE-LBPRGKRZSA-N 0 3 344.393 -0.027 20 5 EBBDHN CC(C)(N)C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000262434278 154231587 /nfs/dbraw/zinc/23/15/87/154231587.db2.gz LBJMXRSJYNJDJD-UHFFFAOYSA-N 0 3 330.366 -0.273 20 5 EBBDHN COc1cccc(C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c1[N+](=O)[O-] ZINC000516089615 419088691 /nfs/dbraw/zinc/08/86/91/419088691.db2.gz UTNJWNRNHFUDID-KOLCDFICSA-N 0 3 334.332 -0.013 20 5 EBBDHN C[C@@H]1CN(C[C@H](O)CNCCn2cc([N+](=O)[O-])cn2)C[C@@H](C)O1 ZINC000516965831 419091332 /nfs/dbraw/zinc/09/13/32/419091332.db2.gz NUYDAOHYSXILPZ-YRGRVCCFSA-N 0 3 327.385 -0.149 20 5 EBBDHN CN(C)CCNC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000357616754 420947864 /nfs/dbraw/zinc/94/78/64/420947864.db2.gz UVWRJLCGJDANDI-UHFFFAOYSA-N 0 3 344.393 -0.059 20 5 EBBDHN CC[C@@H]([NH3+])CNC(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000423672649 265029295 /nfs/dbraw/zinc/02/92/95/265029295.db2.gz FCXCXBSMVIBGMX-SECBINFHSA-N 0 3 330.366 -0.273 20 5 EBBDHN O=C([C@H]1CCCN(CCn2ccc([N+](=O)[O-])n2)C1)N1CCNCC1 ZINC000430607895 265149851 /nfs/dbraw/zinc/14/98/51/265149851.db2.gz BPTLYGROGRYEMA-ZDUSSCGKSA-N 0 3 336.396 -0.065 20 5 EBBDHN C[C@@H]1CN(CCCNC(=O)Cn2cnc([N+](=O)[O-])n2)CCCO1 ZINC000432578783 265176978 /nfs/dbraw/zinc/17/69/78/265176978.db2.gz IGWSYRKXZFRCBL-LLVKDONJSA-N 0 3 326.357 -0.197 20 5 EBBDHN C[C@@H]1[C@@H](N2CCOCC2)CCN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000351982128 279089449 /nfs/dbraw/zinc/08/94/49/279089449.db2.gz MXPJFKMDKWLNQM-SNPRPXQTSA-N 0 3 339.396 -0.053 20 5 EBBDHN CCNS(=O)(=O)CCNC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000819044092 583754385 /nfs/dbraw/zinc/75/43/85/583754385.db2.gz ZJXSLLJRFRJSRA-LBPRGKRZSA-N 0 3 347.393 -0.137 20 5 EBBDHN O=C1O[C@H](CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CN1C1CC1 ZINC000848679456 584160421 /nfs/dbraw/zinc/16/04/21/584160421.db2.gz VVPPSBOUYZLNQH-VXGBXAGGSA-N 0 3 325.325 -0.275 20 5 EBBDHN Cc1cncn1CC(=O)N1CCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC001019014739 728773937 /nfs/dbraw/zinc/77/39/37/728773937.db2.gz CPQXVEUNWAQCEJ-CHWSQXEVSA-N 0 3 347.375 -0.082 20 5 EBBDHN Cc1cncn1CC(=O)N1C[C@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@H]2C1 ZINC000961550880 723036800 /nfs/dbraw/zinc/03/68/00/723036800.db2.gz JPGLAXCBCPOKSF-XJFOESAGSA-N 0 3 347.375 -0.226 20 5 EBBDHN Cn1cnc([N+](=O)[O-])c1CNC1CC2(C1)CC(NC(=O)C(N)=O)C2 ZINC000964774288 724056781 /nfs/dbraw/zinc/05/67/81/724056781.db2.gz DOUJKCHSBZMMMV-UHFFFAOYSA-N 0 3 336.352 -0.669 20 5 EBBDHN CN(CCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)CCc1nnc[nH]1 ZINC001067124394 740098614 /nfs/dbraw/zinc/09/86/14/740098614.db2.gz KDHVOIAXEHITDO-GHMZBOCLSA-N 0 3 338.368 -0.291 20 5 EBBDHN Cn1nnnc1CNC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCCCC1 ZINC001115530859 826554466 /nfs/dbraw/zinc/55/44/66/826554466.db2.gz VMXFEXJNEBHMAU-GHMZBOCLSA-N 0 3 337.384 -0.216 20 5 EBBDHN Cn1cnc([N+](=O)[O-])c1CNCCCNC(=O)c1c[nH]c(=O)n1C ZINC001163934285 832157218 /nfs/dbraw/zinc/15/72/18/832157218.db2.gz AOBYHJDYBYKAMB-UHFFFAOYSA-N 0 3 337.340 -0.323 20 5 EBBDHN C[C@H](NC(=O)CCn1cc([N+](=O)[O-])cn1)C(=O)NCCN(C)C ZINC000560566882 376086871 /nfs/dbraw/zinc/08/68/71/376086871.db2.gz QWLVMTPTFUOODL-JTQLQIEISA-N 0 3 326.357 -0.636 20 5 EBBDHN COc1ccc(CC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000584183564 376218404 /nfs/dbraw/zinc/21/84/04/376218404.db2.gz NGWRCNPUXHDTLR-VXGBXAGGSA-N 0 3 348.359 -0.084 20 5 EBBDHN CCN1CC[C@@H]2OCCN(C[C@H](O)Cn3cc([N+](=O)[O-])cn3)[C@H]2C1 ZINC000339395679 376654540 /nfs/dbraw/zinc/65/45/40/376654540.db2.gz MFYNYCXZMMOIBH-KKUMJFAQSA-N 0 3 339.396 -0.053 20 5 EBBDHN O=C1NCCN1[C@H]1CCCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000075744772 376726630 /nfs/dbraw/zinc/72/66/30/376726630.db2.gz JVAYLOCSXMQNEV-WCQYABFASA-N 0 3 338.368 -0.358 20 5 EBBDHN O=[N+]([O-])c1cnn(C[C@H](O)CNC[C@@H]2CCCCS2(=O)=O)c1 ZINC000566674211 377599929 /nfs/dbraw/zinc/59/99/29/377599929.db2.gz FNDIDEIZUQDZEB-NEPJUHHUSA-N 0 3 332.382 -0.291 20 5 EBBDHN CN(CC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)c1ccccc1[N+](=O)[O-] ZINC000594885708 377966794 /nfs/dbraw/zinc/96/67/94/377966794.db2.gz CNVWHAGGONMSGQ-NWDGAFQWSA-N 0 3 347.375 -0.199 20 5 EBBDHN N[C@H]1C[C@@H]2CN(C(=O)COc3ccccc3[N+](=O)[O-])CCN2C1=O ZINC000594873629 377968538 /nfs/dbraw/zinc/96/85/38/377968538.db2.gz DJIDUFJZHYGREZ-MNOVXSKESA-N 0 3 334.332 -0.256 20 5 EBBDHN N[C@H]1C[C@H]2CN(C(=O)COc3ccccc3[N+](=O)[O-])CCN2C1=O ZINC000594873630 377969147 /nfs/dbraw/zinc/96/91/47/377969147.db2.gz DJIDUFJZHYGREZ-QWRGUYRKSA-N 0 3 334.332 -0.256 20 5 EBBDHN NC(=O)C1(NC[C@H](O)COc2cccc([N+](=O)[O-])c2)CCOCC1 ZINC000595727948 378025733 /nfs/dbraw/zinc/02/57/33/378025733.db2.gz GTDSRXFKSVNGAO-LBPRGKRZSA-N 0 3 339.348 -0.041 20 5 EBBDHN CCS(=O)(=O)NCCNC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000568431177 378383481 /nfs/dbraw/zinc/38/34/81/378383481.db2.gz CTSBOGIDUVBXHE-LBPRGKRZSA-N 0 3 347.393 -0.137 20 5 EBBDHN CCS(=O)(=O)NCCNC[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000568431176 378383550 /nfs/dbraw/zinc/38/35/50/378383550.db2.gz CTSBOGIDUVBXHE-GFCCVEGCSA-N 0 3 347.393 -0.137 20 5 EBBDHN Cc1cc(C(=O)NCC(=O)N2CCN(C)C[C@H]2CN)ccc1[N+](=O)[O-] ZINC000570716386 378513796 /nfs/dbraw/zinc/51/37/96/378513796.db2.gz IOABPXQEGIXJDP-CYBMUJFWSA-N 0 3 349.391 -0.266 20 5 EBBDHN C[C@@H]1CCCN(C(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)[C@@H]1CN ZINC000419469896 379341412 /nfs/dbraw/zinc/34/14/12/379341412.db2.gz XFKBTDWUYSQCBX-ZYHUDNBSSA-N 0 3 338.368 -0.507 20 5 EBBDHN CC(C)C[C@H](CN)NC(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000419457902 379341827 /nfs/dbraw/zinc/34/18/27/379341827.db2.gz ATACOKXHIYCCPI-SNVBAGLBSA-N 0 3 326.357 -0.603 20 5 EBBDHN CN1CC[C@@](O)(CNC(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000351594065 379629725 /nfs/dbraw/zinc/62/97/25/379629725.db2.gz AWDPWMYUCQOGLK-CQSZACIVSA-N 0 3 340.311 -0.145 20 5 EBBDHN CN(C)C(=O)CCN1CCC(NC(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000352692285 379683176 /nfs/dbraw/zinc/68/31/76/379683176.db2.gz GRYYJMIXCPJCDM-UHFFFAOYSA-N 0 3 338.368 -0.010 20 5 EBBDHN CC[C@H](N)C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000269055002 380213839 /nfs/dbraw/zinc/21/38/39/380213839.db2.gz PJWRUEYBCRYNGM-NSHDSACASA-N 0 3 330.366 -0.273 20 5 EBBDHN C[C@@H]1CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCN1CC(C)(C)O ZINC000189892000 380915286 /nfs/dbraw/zinc/91/52/86/380915286.db2.gz FTEYSQITMKESGC-OCCSQVGLSA-N 0 3 341.412 -0.071 20 5 EBBDHN O=C(CN1CCCC1)N1CCN(C(=O)c2c[nH]nc2[N+](=O)[O-])CC1 ZINC000580761878 381014473 /nfs/dbraw/zinc/01/44/73/381014473.db2.gz URDCJLQQBZTIGC-UHFFFAOYSA-N 0 3 336.352 -0.302 20 5 EBBDHN NC(=O)[C@@H]1CC[C@@H](CNC[C@H](O)COc2cccc([N+](=O)[O-])c2)O1 ZINC000581365166 381069395 /nfs/dbraw/zinc/06/93/95/381069395.db2.gz HTHFCJQPEJDEQV-UBHSHLNASA-N 0 3 339.348 -0.043 20 5 EBBDHN NC(=O)COc1cccc(CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000581938526 381120687 /nfs/dbraw/zinc/12/06/87/381120687.db2.gz GRPLCFAUPGDFRU-CYBMUJFWSA-N 0 3 349.347 -0.194 20 5 EBBDHN N[C@H]1C[C@H]2CN(C(=O)COc3ccc([N+](=O)[O-])cc3)CCN2C1=O ZINC000577412020 382048435 /nfs/dbraw/zinc/04/84/35/382048435.db2.gz NLJHFHAWSDHLSB-AAEUAGOBSA-N 0 3 334.332 -0.256 20 5 EBBDHN NC(=O)[C@H]1CCCN1C1CCN(c2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000301800447 155169172 /nfs/dbraw/zinc/16/91/72/155169172.db2.gz BXEIPBHNPAXIKI-SNVBAGLBSA-N 0 3 335.368 -0.115 20 5 EBBDHN NC1(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000262177398 154217468 /nfs/dbraw/zinc/21/74/68/154217468.db2.gz YNJMDMJDBZITQS-UHFFFAOYSA-N 0 3 328.350 -0.519 20 5 EBBDHN O=C(Cn1cc([N+](=O)[O-])ccc1=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000377514406 157696776 /nfs/dbraw/zinc/69/67/76/157696776.db2.gz YQHRTQVOLJRWBN-OLZOCXBDSA-N 0 3 336.348 -0.264 20 5 EBBDHN C[C@@H](NC(=O)C(=O)N1CCN(C)C[C@H]1CN)c1ccccc1[N+](=O)[O-] ZINC000516856918 419091183 /nfs/dbraw/zinc/09/11/83/419091183.db2.gz LABKHXKJJYEWQR-VXGBXAGGSA-N 0 3 349.391 -0.127 20 5 EBBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@@H](O)[C@H](O)C1 ZINC000278729418 420938100 /nfs/dbraw/zinc/93/81/00/420938100.db2.gz LBAXXNGCLXYRRV-VXGBXAGGSA-N 0 3 325.321 -0.031 20 5 EBBDHN C[C@H]1[C@@H]([NH3+])CCN1C(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000423650584 265025977 /nfs/dbraw/zinc/02/59/77/265025977.db2.gz RCCSDUMQQFNZDP-UWVGGRQHSA-N 0 3 342.377 -0.179 20 5 EBBDHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000488047988 272858459 /nfs/dbraw/zinc/85/84/59/272858459.db2.gz XSOZDKMSDVWWFV-NSHDSACASA-N 0 3 338.368 -0.102 20 5 EBBDHN O=[N+]([O-])c1ccc([C@H](O)CN[C@H](CO)CN2CCOCC2)cc1 ZINC000843113395 584071267 /nfs/dbraw/zinc/07/12/67/584071267.db2.gz NTUOCWGFMHCJQX-DZGCQCFKSA-N 0 3 325.365 -0.089 20 5 EBBDHN O=[N+]([O-])c1ccc([C@H](O)CN[C@@H](CO)CN2CCOCC2)cc1 ZINC000843113397 584071326 /nfs/dbraw/zinc/07/13/26/584071326.db2.gz NTUOCWGFMHCJQX-UKRRQHHQSA-N 0 3 325.365 -0.089 20 5 EBBDHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000844037263 584086663 /nfs/dbraw/zinc/08/66/63/584086663.db2.gz UGLPVJUHQLHEPS-SECBINFHSA-N 0 3 336.352 -0.236 20 5 EBBDHN CN(C)C[C@@H](CO)NC(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000854467637 584241023 /nfs/dbraw/zinc/24/10/23/584241023.db2.gz WRWSFNJLAFOCHF-NSHDSACASA-N 0 3 325.321 -0.175 20 5 EBBDHN Cc1cncn1CC(=O)N1CC2(C1)CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C2 ZINC001019196696 728824583 /nfs/dbraw/zinc/82/45/83/728824583.db2.gz XVZQTMGVVATMSO-CHWSQXEVSA-N 0 3 347.375 -0.082 20 5 EBBDHN O=C(CCc1nnc[nH]1)N1[C@@H]2CC[C@H]1CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C2 ZINC000968778346 725113968 /nfs/dbraw/zinc/11/39/68/725113968.db2.gz DURTXCBAIGVUKW-WRWGMCAJSA-N 0 3 348.363 -0.396 20 5 EBBDHN O=C([C@@H]1CC1[N+](=O)[O-])N1CCOC2(CN(CC3CCOCC3)C2)C1 ZINC001053253793 735799273 /nfs/dbraw/zinc/79/92/73/735799273.db2.gz YPSKAKQLDZIPMF-ZIAGYGMSSA-N 0 3 339.392 -0.009 20 5 EBBDHN Cn1cnc([N+](=O)[O-])c1CNC[C@H]1C[C@H](NC(=O)Cc2nc[nH]n2)C1 ZINC000985019250 807426575 /nfs/dbraw/zinc/42/65/75/807426575.db2.gz DLKAMLMBIYRPQZ-MGCOHNPYSA-N 0 3 348.367 -0.327 20 5 EBBDHN CCN1CCN(C(=O)N2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)CC1 ZINC000985830200 807599890 /nfs/dbraw/zinc/59/98/90/807599890.db2.gz YRNNYBUFNYPOPD-CHWSQXEVSA-N 0 3 339.396 -0.447 20 5 EBBDHN CS(=O)(=O)NCCN1CCC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001223114181 811682187 /nfs/dbraw/zinc/68/21/87/811682187.db2.gz JWEIASOVYPOFFG-VXGBXAGGSA-N 0 3 348.425 -0.971 20 5 EBBDHN CNS(=O)(=O)CC(=O)N(C)CCNCc1cccc([N+](=O)[O-])c1 ZINC001267091155 813756421 /nfs/dbraw/zinc/75/64/21/813756421.db2.gz YKDZTLFSYTVRFD-UHFFFAOYSA-N 0 3 344.393 -0.308 20 5 EBBDHN O=C(CCN1CCOCC1)N[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001295114983 821051264 /nfs/dbraw/zinc/05/12/64/821051264.db2.gz BBTBYBCRLHNWIB-FDYHWXHSSA-N 0 3 340.380 -0.863 20 5 EBBDHN CCS(=O)(=O)NCC(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001128594659 828481256 /nfs/dbraw/zinc/48/12/56/828481256.db2.gz JLMFAMYTSSAOHQ-UHFFFAOYSA-N 0 3 344.393 -0.260 20 5 EBBDHN O=C(NCCNCc1cc(=O)n2ccsc2n1)[C@@H]1CC1[N+](=O)[O-] ZINC001126936943 828234539 /nfs/dbraw/zinc/23/45/39/828234539.db2.gz XXXQRFFVSJAHHS-NXEZZACHSA-N 0 3 337.361 -0.373 20 5 EBBDHN CN(C)CCN1CCN(C(=O)c2cnc(N)c([N+](=O)[O-])c2)CC1=O ZINC001144755842 830167442 /nfs/dbraw/zinc/16/74/42/830167442.db2.gz BFUYFKOPQLNMKO-UHFFFAOYSA-N 0 3 336.352 -0.582 20 5 EBBDHN Cn1cnc([N+](=O)[O-])c1CNCCCNC(=O)C(C)(C)C(N)=O ZINC001160402888 831845055 /nfs/dbraw/zinc/84/50/55/831845055.db2.gz GSRDLGCFZFIJRH-UHFFFAOYSA-N 0 3 326.357 -0.564 20 5 EBBDHN CCOC(=O)c1cnc(N(C)S(=O)(=O)CCN)c([N+](=O)[O-])c1 ZINC001164288573 832180925 /nfs/dbraw/zinc/18/09/25/832180925.db2.gz RDVGHJPMGIZCPQ-UHFFFAOYSA-N 0 3 332.338 -0.109 20 5 EBBDHN CNS(=O)(=O)CC(=O)NCCCNCc1ccccc1[N+](=O)[O-] ZINC001176336045 832667539 /nfs/dbraw/zinc/66/75/39/832667539.db2.gz JAUWLNJWXGAYNF-UHFFFAOYSA-N 0 3 344.393 -0.260 20 5 EBBDHN COCC(=O)NC1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC001318853875 838041341 /nfs/dbraw/zinc/04/13/41/838041341.db2.gz PTGLUQVILHFXJE-ZDUSSCGKSA-N 0 3 341.368 -0.621 20 5 EBBDHN O=C(N[C@@H]1CCN(CCN2CCOCC2)C1)c1n[nH]cc1[N+](=O)[O-] ZINC001319612237 838157451 /nfs/dbraw/zinc/15/74/51/838157451.db2.gz PPWZTVSWCKYVIB-LLVKDONJSA-N 0 3 338.368 -0.546 20 5 EBBDHN C[C@]1(CO)CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@]1(C)CO ZINC001331480443 841414501 /nfs/dbraw/zinc/41/45/01/841414501.db2.gz IFLXFNRAQZPSOB-MELADBBJSA-N 0 3 328.369 -0.535 20 5 EBBDHN Cn1c(Cl)cnc1CNCCN(CCO)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001484481972 1126591899 /nfs/dbraw/zinc/59/18/99/1126591899.db2.gz CJQUSTYZJLEACJ-NXEZZACHSA-N 0 3 345.787 -0.351 20 5 EBBDHN O=C(NCCN1CC=C(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)C1CC1 ZINC001486506526 1127191148 /nfs/dbraw/zinc/19/11/48/1127191148.db2.gz OVPQHGOOZMEHIF-ZIAGYGMSSA-N 0 3 336.392 -0.074 20 5 EBBDHN CCCN(C)CC(=O)N1CCN(c2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC001093170104 1128302662 /nfs/dbraw/zinc/30/26/62/1128302662.db2.gz FABSDIRZFJJXTI-UHFFFAOYSA-N 0 3 337.384 -0.043 20 5 EBBDHN COc1ccc(S(=O)(=O)N2CCN(C)C[C@H]2CN)cc1[N+](=O)[O-] ZINC000321398563 375902311 /nfs/dbraw/zinc/90/23/11/375902311.db2.gz HNVGMWPIVLSKRE-SNVBAGLBSA-N 0 3 344.393 -0.133 20 5 EBBDHN Cn1cc(N2CC[C@@H](NC[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2=O)cn1 ZINC000562996411 377069880 /nfs/dbraw/zinc/06/98/80/377069880.db2.gz PWLSOMICFVNPQW-CHWSQXEVSA-N 0 3 349.351 -0.719 20 5 EBBDHN COC[C@@H](O)CNCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000566110348 377484548 /nfs/dbraw/zinc/48/45/48/377484548.db2.gz ZPROSHQOKGCBPG-NSHDSACASA-N 0 3 333.366 -0.530 20 5 EBBDHN C[C@H]1C(=O)N(CCN(C)C)CN1c1ncc([N+](=O)[O-])cc1C(N)=O ZINC000591982635 377777811 /nfs/dbraw/zinc/77/78/11/377777811.db2.gz NTTXCHSJHLMORZ-VIFPVBQESA-N 0 3 336.352 -0.355 20 5 EBBDHN CC(C)[NH2+]CC(=O)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000595253285 377983785 /nfs/dbraw/zinc/98/37/85/377983785.db2.gz IQJLCVIKHDJGJC-UHFFFAOYSA-N 0 3 344.393 -0.013 20 5 EBBDHN COc1ccc([N+](=O)[O-])cc1C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000571179951 378548305 /nfs/dbraw/zinc/54/83/05/378548305.db2.gz ZIENDJWDHJZQKZ-CMPLNLGQSA-N 0 3 334.332 -0.013 20 5 EBBDHN CCCC[C@H](CN)NC(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000419462121 379341900 /nfs/dbraw/zinc/34/19/00/379341900.db2.gz JAEYCNNWXUKKDA-SNVBAGLBSA-N 0 3 326.357 -0.459 20 5 EBBDHN C[C@@H]1[C@H](N2CCOCC2)CCN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000351982127 379651014 /nfs/dbraw/zinc/65/10/14/379651014.db2.gz MXPJFKMDKWLNQM-BPLDGKMQSA-N 0 3 339.396 -0.053 20 5 EBBDHN Cc1c(C(=O)N2CCCNCC2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000269130520 380221302 /nfs/dbraw/zinc/22/13/02/380221302.db2.gz OHOOVFJSMIMKMU-UHFFFAOYSA-N 0 3 342.377 -0.014 20 5 EBBDHN CS(=O)(=O)C1(CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCC1 ZINC000574512888 380781617 /nfs/dbraw/zinc/78/16/17/380781617.db2.gz ZJEIOBQBQJRDSS-LLVKDONJSA-N 0 3 332.382 -0.291 20 5 EBBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1nc(N2CCNCC2)n[nH]1 ZINC000574569555 380797521 /nfs/dbraw/zinc/79/75/21/380797521.db2.gz UROXLLJBQGHEHZ-UHFFFAOYSA-N 0 3 335.328 -0.734 20 5 EBBDHN Cc1ccc(NCCCNC(=O)C(=O)NC2CNC2)c([N+](=O)[O-])c1 ZINC000582596531 381053064 /nfs/dbraw/zinc/05/30/64/381053064.db2.gz SROLLDLBHROBIY-UHFFFAOYSA-N 0 3 335.364 -0.091 20 5 EBBDHN CN1CCN(C(=O)C(=O)NCCc2ccc([N+](=O)[O-])cc2)[C@H](CN)C1 ZINC000581874430 381103076 /nfs/dbraw/zinc/10/30/76/381103076.db2.gz QKPWXKDKARFEEW-CQSZACIVSA-N 0 3 349.391 -0.645 20 5 EBBDHN Cc1nn(CCC(=O)N2C[C@H](O)[C@@H](N(C)C)C2)c(C)c1[N+](=O)[O-] ZINC000552437261 381156323 /nfs/dbraw/zinc/15/63/23/381156323.db2.gz SOLAPAAMKAOXAE-RYUDHWBXSA-N 0 3 325.369 -0.068 20 5 EBBDHN N[C@H]1C[C@@H]2CN(C(=O)COc3ccc([N+](=O)[O-])cc3)CCN2C1=O ZINC000577412026 382047771 /nfs/dbraw/zinc/04/77/71/382047771.db2.gz NLJHFHAWSDHLSB-YPMHNXCESA-N 0 3 334.332 -0.256 20 5 EBBDHN CNCC(=O)NCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000262612714 154239373 /nfs/dbraw/zinc/23/93/73/154239373.db2.gz DTPOEOTUQQPNEB-UHFFFAOYSA-N 0 3 330.366 -0.254 20 5 EBBDHN CCc1[nH]nc(C(=O)N2CCN(C(=O)CN(C)C)CC2)c1[N+](=O)[O-] ZINC000264623018 154288471 /nfs/dbraw/zinc/28/84/71/154288471.db2.gz UWKKCTXAUDZKCX-UHFFFAOYSA-N 0 3 338.368 -0.274 20 5 EBBDHN CCc1n[nH]c(C(=O)N2CCN(C(=O)CN(C)C)CC2)c1[N+](=O)[O-] ZINC000264623018 154288472 /nfs/dbraw/zinc/28/84/72/154288472.db2.gz UWKKCTXAUDZKCX-UHFFFAOYSA-N 0 3 338.368 -0.274 20 5 EBBDHN CCc1n[n-]c(C(=O)N2CCN(C(=O)C[NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000264623018 154288473 /nfs/dbraw/zinc/28/84/73/154288473.db2.gz UWKKCTXAUDZKCX-UHFFFAOYSA-N 0 3 338.368 -0.274 20 5 EBBDHN CN1CC[C@@](O)(CNc2cccc(S(N)(=O)=O)c2[N+](=O)[O-])C1 ZINC000358306911 157232326 /nfs/dbraw/zinc/23/23/26/157232326.db2.gz NNAVDNKYWLMUPU-GFCCVEGCSA-N 0 3 330.366 -0.279 20 5 EBBDHN CN1CC[C@@](O)(CNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000358331586 157234041 /nfs/dbraw/zinc/23/40/41/157234041.db2.gz RHBINIRPGJSDNB-GFCCVEGCSA-N 0 3 330.366 -0.279 20 5 EBBDHN COC(=O)c1cc(C)nc(N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c1[N+](=O)[O-] ZINC000520610844 419802631 /nfs/dbraw/zinc/80/26/31/419802631.db2.gz AWAKYNGZZDGLPI-KOLCDFICSA-N 0 3 349.347 -0.167 20 5 EBBDHN C[NH2+]CCN(C)C(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000423528363 265008285 /nfs/dbraw/zinc/00/82/85/265008285.db2.gz WLJLZROWPZRJEY-UHFFFAOYSA-N 0 3 330.366 -0.449 20 5 EBBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H](O)CN(C)C ZINC000361086231 584699409 /nfs/dbraw/zinc/69/94/09/584699409.db2.gz MTIHTYPDYCFROF-SNVBAGLBSA-N 0 3 340.336 -0.419 20 5 EBBDHN Cc1cncn1CC(=O)NC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000946703389 653194957 /nfs/dbraw/zinc/19/49/57/653194957.db2.gz XPDGOYIWPCPKQS-CHWSQXEVSA-N 0 3 335.364 -0.036 20 5 EBBDHN O=C(CCc1nnc[nH]1)N1CCC(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000946175284 653545851 /nfs/dbraw/zinc/54/58/51/653545851.db2.gz YHVROZXQNNZANX-GHMZBOCLSA-N 0 3 336.352 -0.490 20 5 EBBDHN COCCN1CCOC2(CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)C1 ZINC000949365866 653873940 /nfs/dbraw/zinc/87/39/40/653873940.db2.gz JUPFNYDCOFRDMD-CHWSQXEVSA-N 0 3 327.381 -0.009 20 5 EBBDHN Cn1cnc([N+](=O)[O-])c1CNC1CCN(C(=O)Cn2ncnn2)CC1 ZINC000996534251 726412641 /nfs/dbraw/zinc/41/26/41/726412641.db2.gz QMIJNCLXVAFTHL-UHFFFAOYSA-N 0 3 349.355 -0.904 20 5 EBBDHN Cn1cnc([N+](=O)[O-])c1CNC1CCN(C(=O)c2nnn(C)n2)CC1 ZINC000996895668 726432137 /nfs/dbraw/zinc/43/21/37/726432137.db2.gz CZEPIYRPRYDGBQ-UHFFFAOYSA-N 0 3 349.355 -0.754 20 5 EBBDHN Cn1cnc([N+](=O)[O-])c1CNC1CCN(C(=O)Cn2cncn2)CC1 ZINC000997258720 726443524 /nfs/dbraw/zinc/44/35/24/726443524.db2.gz FUUFDAJJHPRDDD-UHFFFAOYSA-N 0 3 348.367 -0.299 20 5 EBBDHN CCn1nncc1CN1C[C@@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@@H]2C1 ZINC001048814570 734521050 /nfs/dbraw/zinc/52/10/50/734521050.db2.gz STBBVJNYJOPBAL-ZMJPVWNMSA-N 0 3 334.380 -0.147 20 5 EBBDHN Cn1nncc1CN1CCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)CC1 ZINC001050516770 734916791 /nfs/dbraw/zinc/91/67/91/734916791.db2.gz JEHIULSSPFCLPQ-CHWSQXEVSA-N 0 3 334.380 -0.095 20 5 EBBDHN CC(COC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1)[N+](=O)[O-] ZINC001263475415 813113199 /nfs/dbraw/zinc/11/31/99/813113199.db2.gz HXJQCNPQZSGIDN-RKDXNWHRSA-N 0 3 347.349 -0.640 20 5 EBBDHN Cn1cnnc1CNC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCOCC1 ZINC001278707589 817796730 /nfs/dbraw/zinc/79/67/30/817796730.db2.gz OQCDQNHSNQCCGJ-GHMZBOCLSA-N 0 3 338.368 -0.765 20 5 EBBDHN CS(=O)(=O)NCCC(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001128600551 828482346 /nfs/dbraw/zinc/48/23/46/828482346.db2.gz AJOXUEGHTMMRQU-UHFFFAOYSA-N 0 3 344.393 -0.260 20 5 EBBDHN CN1CCN(CCC(C)(C)NC(=O)Cn2cnc([N+](=O)[O-])n2)CC1 ZINC001116662412 826631770 /nfs/dbraw/zinc/63/17/70/826631770.db2.gz XASTULQQSKYQHL-UHFFFAOYSA-N 0 3 339.400 -0.281 20 5 EBBDHN O=C(NCCNCCS(=O)(=O)c1ccccc1)[C@@H]1CC1[N+](=O)[O-] ZINC001126939252 828234750 /nfs/dbraw/zinc/23/47/50/828234750.db2.gz UNFKRKBOOYHUAH-CHWSQXEVSA-N 0 3 341.389 -0.169 20 5 EBBDHN CN1C(=O)CN(CC(=O)NCCNCc2cccc([N+](=O)[O-])c2)C1=O ZINC001147644660 830378507 /nfs/dbraw/zinc/37/85/07/830378507.db2.gz KWHLTYAHYUTOTM-UHFFFAOYSA-N 0 3 349.347 -0.305 20 5 EBBDHN CN(C)S(=O)(=O)CC(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001149427042 830662400 /nfs/dbraw/zinc/66/24/00/830662400.db2.gz IJNXYNTZJNAHIF-UHFFFAOYSA-N 0 3 344.393 -0.308 20 5 EBBDHN CN1CC(=O)N(CC(=O)NCCNCc2ccc([N+](=O)[O-])cc2)C1=O ZINC001150330751 830863991 /nfs/dbraw/zinc/86/39/91/830863991.db2.gz CSQSIOKVHCYYFU-UHFFFAOYSA-N 0 3 349.347 -0.305 20 5 EBBDHN Cn1cnc([N+](=O)[O-])c1CNCCCNC(=O)Cc1cncnc1 ZINC001157237213 831546382 /nfs/dbraw/zinc/54/63/82/831546382.db2.gz ORZDIDSNWJDSGB-UHFFFAOYSA-N 0 3 333.352 -0.043 20 5 EBBDHN Cn1cnc([N+](=O)[O-])c1CNCCCNC(=O)c1cc2n(n1)CCO2 ZINC001160034494 831809470 /nfs/dbraw/zinc/80/94/70/831809470.db2.gz DFFQZSAKPGGRTQ-UHFFFAOYSA-N 0 3 349.351 -0.173 20 5 EBBDHN CS(=O)(=O)c1ccc([N-][C@]23CC[NH2+][C@@H]2CC(=O)N3)c([N+](=O)[O-])c1 ZINC001163254597 832094510 /nfs/dbraw/zinc/09/45/10/832094510.db2.gz OKNSNGUSIHWXSM-YPMHNXCESA-N 0 3 340.361 -0.012 20 5 EBBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCN(C[C@H]3CCOC3)CC2)c1 ZINC001319011738 838060433 /nfs/dbraw/zinc/06/04/33/838060433.db2.gz GPYYKEZBSUIOKH-UKRRQHHQSA-N 0 3 339.396 -0.194 20 5 EBBDHN Cc1cc(NC(=O)CNC/C=C/CNC(=O)[C@@H]2CC2[N+](=O)[O-])on1 ZINC001321052821 838892437 /nfs/dbraw/zinc/89/24/37/838892437.db2.gz UGZJNGMGQYWMQN-WUNPDAOYSA-N 0 3 337.336 -0.151 20 5 EBBDHN Cc1cc(NC(=O)CNC/C=C\CNC(=O)[C@@H]2CC2[N+](=O)[O-])on1 ZINC001321052820 838892540 /nfs/dbraw/zinc/89/25/40/838892540.db2.gz UGZJNGMGQYWMQN-LVUHIJSRSA-N 0 3 337.336 -0.151 20 5 EBBDHN O=C1NC(=O)C2(CCN(CCn3cc([N+](=O)[O-])ccc3=O)CC2)N1 ZINC001323115847 839353114 /nfs/dbraw/zinc/35/31/14/839353114.db2.gz QTUGCAWPCVVKBN-UHFFFAOYSA-N 0 3 335.320 -0.570 20 5 EBBDHN COc1cc(C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000577652030 375891611 /nfs/dbraw/zinc/89/16/11/375891611.db2.gz ZBVFNLAOLVOFHN-QWRGUYRKSA-N 0 3 334.332 -0.013 20 5 EBBDHN O=C(CCN1CCN(c2ccc([N+](=O)[O-])nc2)CC1)N1CCNCC1 ZINC000578324089 375987696 /nfs/dbraw/zinc/98/76/96/375987696.db2.gz OLCLQKOOXUHCCN-UHFFFAOYSA-N 0 3 348.407 -0.066 20 5 EBBDHN Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H](C)C(=O)NCCN(C)C ZINC000588873641 376398030 /nfs/dbraw/zinc/39/80/30/376398030.db2.gz OCMBFVDMPHKDPQ-SNVBAGLBSA-N 0 3 340.384 -0.328 20 5 EBBDHN COC(=O)C[C@@]1(NC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCOC1 ZINC000362269412 376725387 /nfs/dbraw/zinc/72/53/87/376725387.db2.gz IYWTZKHSNIKZSS-YPMHNXCESA-N 0 3 328.325 -0.536 20 5 EBBDHN O=C1NCCN1[C@H]1CCCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000075744773 376726108 /nfs/dbraw/zinc/72/61/08/376726108.db2.gz JVAYLOCSXMQNEV-AAEUAGOBSA-N 0 3 338.368 -0.358 20 5 EBBDHN O=[N+]([O-])c1ccn(CCN2CCC(O)(CN3CCOCC3)CC2)n1 ZINC000364735449 377170718 /nfs/dbraw/zinc/17/07/18/377170718.db2.gz BJMMPBLTDPHKJU-UHFFFAOYSA-N 0 3 339.396 -0.050 20 5 EBBDHN N[C@@H]1C[C@@H]2CN(C(=O)COc3cccc([N+](=O)[O-])c3)CCN2C1=O ZINC000565841964 377452140 /nfs/dbraw/zinc/45/21/40/377452140.db2.gz BATJTRGVJKRFAY-DGCLKSJQSA-N 0 3 334.332 -0.256 20 5 EBBDHN N[C@H]1C[C@@H]2CN(C(=O)COc3cccc([N+](=O)[O-])c3)CCN2C1=O ZINC000565841966 377452288 /nfs/dbraw/zinc/45/22/88/377452288.db2.gz BATJTRGVJKRFAY-YPMHNXCESA-N 0 3 334.332 -0.256 20 5 EBBDHN C[C@@H](NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)C(=O)NCCN(C)C ZINC000566461961 377538044 /nfs/dbraw/zinc/53/80/44/377538044.db2.gz KJADEEXTYDCFEP-SNVBAGLBSA-N 0 3 340.384 -0.291 20 5 EBBDHN CC(C)(C)NS(=O)(=O)CCNC[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000591725126 377748911 /nfs/dbraw/zinc/74/89/11/377748911.db2.gz CXRFHHPXZDCXGN-LLVKDONJSA-N 0 3 349.413 -0.540 20 5 EBBDHN CN(C)CCN1CCN(c2nccc(C(N)=O)c2[N+](=O)[O-])CC1=O ZINC000593486384 377889495 /nfs/dbraw/zinc/88/94/95/377889495.db2.gz VDJWRFKEFYDFSI-UHFFFAOYSA-N 0 3 336.352 -0.701 20 5 EBBDHN O=C(c1cn(-c2cccc([N+](=O)[O-])c2)nn1)N1CCOC2(CNC2)C1 ZINC000596099617 378052523 /nfs/dbraw/zinc/05/25/23/378052523.db2.gz UNFMBJIJOKTINT-UHFFFAOYSA-N 0 3 344.331 -0.010 20 5 EBBDHN NS(=O)(=O)c1cc(NCCN2CC[C@H](O)C2)cc([N+](=O)[O-])c1 ZINC000599199785 378205438 /nfs/dbraw/zinc/20/54/38/378205438.db2.gz PXFXTIXHFBMLLA-NSHDSACASA-N 0 3 330.366 -0.279 20 5 EBBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC(N3CCOCC3)CC2)c1 ZINC000599473997 378248342 /nfs/dbraw/zinc/24/83/42/378248342.db2.gz DPIYWVYKSDIKIR-OAHLLOKOSA-N 0 3 339.396 -0.051 20 5 EBBDHN CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NC[C@H]1CNCCO1 ZINC000572000532 378565742 /nfs/dbraw/zinc/56/57/42/378565742.db2.gz WWINRVOWMKXLNK-MNOVXSKESA-N 0 3 340.384 -0.068 20 5 EBBDHN O=C1CNC(=O)N1CCNC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000571198524 379097885 /nfs/dbraw/zinc/09/78/85/379097885.db2.gz NOQHBBFBWFOLAG-JTQLQIEISA-N 0 3 338.320 -0.524 20 5 EBBDHN O=C(NC[C@@H]1CNCCO1)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000420205114 379351456 /nfs/dbraw/zinc/35/14/56/379351456.db2.gz RLEDBKPCTVWOFR-AWEZNQCLSA-N 0 3 348.359 -0.416 20 5 EBBDHN CC[C@@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)C(=O)N1CCOCC1 ZINC000574270646 379461634 /nfs/dbraw/zinc/46/16/34/379461634.db2.gz GFBFZGFGDULNPR-QWHCGFSZSA-N 0 3 341.368 -0.621 20 5 EBBDHN NC(=O)[C@]1(O)CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000285264814 379558967 /nfs/dbraw/zinc/55/89/67/379558967.db2.gz ZUEFTSCWCPEQJX-AWEZNQCLSA-N 0 3 340.311 -0.015 20 5 EBBDHN CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](C)C(=O)NCCN(C)C)n1 ZINC000580782488 381035353 /nfs/dbraw/zinc/03/53/53/381035353.db2.gz BMUNWRMXYMKEPP-SECBINFHSA-N 0 3 326.357 -0.393 20 5 EBBDHN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@H]1CNCCO1 ZINC000262348821 154226883 /nfs/dbraw/zinc/22/68/83/154226883.db2.gz VCMJSHFISXCCHN-SNVBAGLBSA-N 0 3 331.350 -0.130 20 5 EBBDHN Cn1ccnc1N1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000266965572 154360395 /nfs/dbraw/zinc/36/03/95/154360395.db2.gz XXXIZHVEZXBTRU-CYBMUJFWSA-N 0 3 335.368 -0.292 20 5 EBBDHN NC1(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000295472911 155070135 /nfs/dbraw/zinc/07/01/35/155070135.db2.gz RQOPXOAWYKUBQH-UHFFFAOYSA-N 0 3 342.377 -0.129 20 5 EBBDHN O=C(NCCn1cc([N+](=O)[O-])cn1)N[C@@H]1CCCN(CCCO)C1 ZINC000297153763 155081383 /nfs/dbraw/zinc/08/13/83/155081383.db2.gz DIDUZVBQTKDZOI-GFCCVEGCSA-N 0 3 340.384 -0.063 20 5 EBBDHN CN(C)CCN1CCN(C(=O)c2ccnc(N)c2[N+](=O)[O-])CC1=O ZINC000594375981 420649615 /nfs/dbraw/zinc/64/96/15/420649615.db2.gz KRZJYRNTRMTKGT-UHFFFAOYSA-N 0 3 336.352 -0.582 20 5 EBBDHN C[C@@H]([NH3+])CCNC(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000422775207 420922022 /nfs/dbraw/zinc/92/20/22/420922022.db2.gz AOHKFYOUAWNISW-SECBINFHSA-N 0 3 330.366 -0.273 20 5 EBBDHN CCC[NH2+]CCNC(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000423458042 265007063 /nfs/dbraw/zinc/00/70/63/265007063.db2.gz JMHOGPCWVNLTCQ-UHFFFAOYSA-N 0 3 344.393 -0.011 20 5 EBBDHN Cc1c(C(=O)NCCN(C)C)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000443383695 265347986 /nfs/dbraw/zinc/34/79/86/265347986.db2.gz HERAKLYEMUMEFO-UHFFFAOYSA-N 0 3 330.366 -0.158 20 5 EBBDHN C[C@@H]1CN(C[C@@H](O)CNCCn2cc([N+](=O)[O-])cn2)C[C@@H](C)O1 ZINC000516965828 272889217 /nfs/dbraw/zinc/88/92/17/272889217.db2.gz NUYDAOHYSXILPZ-BZPMIXESSA-N 0 3 327.385 -0.149 20 5 EBBDHN CC1(C)OCC(CO)(NC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CO1 ZINC000788000823 583526383 /nfs/dbraw/zinc/52/63/83/583526383.db2.gz VQRGROZJWLALNI-LLVKDONJSA-N 0 3 330.341 -0.744 20 5 EBBDHN CC(COC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C)[N+](=O)[O-] ZINC000813112597 583698001 /nfs/dbraw/zinc/69/80/01/583698001.db2.gz IYGMHZOYZDDVSQ-MRVPVSSYSA-N 0 3 339.308 -0.968 20 5 EBBDHN O=C(CCc1nnc[nH]1)N1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000940668399 653257301 /nfs/dbraw/zinc/25/73/01/653257301.db2.gz NTWRZSGHUMKNFP-GHMZBOCLSA-N 0 3 336.352 -0.537 20 5 EBBDHN Cc1nccn1CC(=O)N1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000941007743 653376180 /nfs/dbraw/zinc/37/61/80/653376180.db2.gz QYWVWTMKUGXJJG-CHWSQXEVSA-N 0 3 335.364 -0.082 20 5 EBBDHN O=C(CCc1nnc[nH]1)N1CCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC001019012500 728772932 /nfs/dbraw/zinc/77/29/32/728772932.db2.gz LYTNRQCIYFPZTI-GHMZBOCLSA-N 0 3 348.363 -0.537 20 5 EBBDHN Cn1cnc([N+](=O)[O-])c1CN[C@H]1C[C@H](NC(=O)Cc2nc[nH]n2)C1 ZINC001020904058 729253095 /nfs/dbraw/zinc/25/30/95/729253095.db2.gz KQNAIPKSNYYYBW-KYZUINATSA-N 0 3 334.340 -0.574 20 5 EBBDHN O=C(N[C@H]1C[C@@H](NCc2ncnn2CC(F)F)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001022063913 729451723 /nfs/dbraw/zinc/45/17/23/729451723.db2.gz ONITZDHHKZBWEU-UTINFBMNSA-N 0 3 344.322 -0.055 20 5 EBBDHN O=C(NC1CN(C(=O)c2ccn3cncc3c2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000991299151 809254809 /nfs/dbraw/zinc/25/48/09/809254809.db2.gz SBDQXJWWAMUDBM-CHWSQXEVSA-N 0 3 329.316 -0.060 20 5 EBBDHN CN(CCCNCc1c([N+](=O)[O-])ncn1C)C(=O)Cc1nnc[nH]1 ZINC001268912160 814440148 /nfs/dbraw/zinc/44/01/48/814440148.db2.gz SNSYWESRCHWNRC-UHFFFAOYSA-N 0 3 336.356 -0.373 20 5 EBBDHN CCS(=O)(=O)NCC(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001128595369 828482272 /nfs/dbraw/zinc/48/22/72/828482272.db2.gz ZPGOKKFEASEROR-UHFFFAOYSA-N 0 3 344.393 -0.260 20 5 EBBDHN NC(=O)c1ncn(CC(=O)NCCNCc2ccc([N+](=O)[O-])cc2)n1 ZINC001127648139 828311248 /nfs/dbraw/zinc/31/12/48/828311248.db2.gz GROKULGHOPJXJY-UHFFFAOYSA-N 0 3 347.335 -0.809 20 5 EBBDHN COCCOCC(=O)NCCCNCc1c([N+](=O)[O-])ncn1C ZINC001155860136 831436002 /nfs/dbraw/zinc/43/60/02/831436002.db2.gz ABYCMFGZOYVIBM-UHFFFAOYSA-N 0 3 329.357 -0.413 20 5 EBBDHN NC(=O)c1nc(NCc2nnn3c2CNCCC3)ccc1[N+](=O)[O-] ZINC001162971951 832073034 /nfs/dbraw/zinc/07/30/34/832073034.db2.gz CTRFPHXWFSMPAO-UHFFFAOYSA-N 0 3 332.324 -0.214 20 5 EBBDHN COc1ccc([N+](=O)[O-])c(C[C@@H](C)NC(CO)(CO)CO)c1F ZINC001173176378 832583851 /nfs/dbraw/zinc/58/38/51/832583851.db2.gz GWSFWDVMOOEXFJ-SECBINFHSA-N 0 3 332.328 -0.021 20 5 EBBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCN(C[C@@H]3CCOC3)CC2)c1 ZINC001319011736 838059725 /nfs/dbraw/zinc/05/97/25/838059725.db2.gz GPYYKEZBSUIOKH-DZGCQCFKSA-N 0 3 339.396 -0.194 20 5 EBBDHN Cn1c(Cn2cnc([N+](=O)[O-])n2)nnc1N1CCN(CC2CC2)CC1 ZINC001344942907 843348978 /nfs/dbraw/zinc/34/89/78/843348978.db2.gz MLPFPZWFFDAYBF-UHFFFAOYSA-N 0 3 347.383 -0.105 20 5 EBBDHN CN(CCCNCc1c([N+](=O)[O-])ncn1C)C(=O)C1(C(N)=O)CC1 ZINC001483489121 1126430852 /nfs/dbraw/zinc/43/08/52/1126430852.db2.gz MVOWJRMNXIIAGO-UHFFFAOYSA-N 0 3 338.368 -0.468 20 5 EBBDHN CO[C@@H](CN)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000289893282 377011761 /nfs/dbraw/zinc/01/17/61/377011761.db2.gz IQMARTGNMMPCQQ-ZDUSSCGKSA-N 0 3 336.348 -0.147 20 5 EBBDHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)N=c1cc[nH]cc1[N+](=O)[O-] ZINC000592247747 377807869 /nfs/dbraw/zinc/80/78/69/377807869.db2.gz SZIWGQSFBUEHDW-JTQLQIEISA-N 0 3 336.352 -0.005 20 5 EBBDHN O=c1cc(CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)nc2ccccn12 ZINC000592998356 377868776 /nfs/dbraw/zinc/86/87/76/377868776.db2.gz SBHRSGFCKLXMST-CYBMUJFWSA-N 0 3 344.331 -0.050 20 5 EBBDHN CCOC(=O)c1ccnc(N2CCN3C(=O)[C@H](N)C[C@H]3C2)c1[N+](=O)[O-] ZINC000567179466 377988211 /nfs/dbraw/zinc/98/82/11/377988211.db2.gz GTIRWMBEJRKNFV-GXSJLCMTSA-N 0 3 349.347 -0.085 20 5 EBBDHN Cc1n[nH]c(C(=O)N(CCN(C)C)CC(=O)N(C)C)c1[N+](=O)[O-] ZINC000598185496 378157601 /nfs/dbraw/zinc/15/76/01/378157601.db2.gz KGGIUMABWAPMHW-UHFFFAOYSA-N 0 3 326.357 -0.282 20 5 EBBDHN Cc1[nH]nc(C(=O)N(CCN(C)C)CC(=O)N(C)C)c1[N+](=O)[O-] ZINC000598185496 378157607 /nfs/dbraw/zinc/15/76/07/378157607.db2.gz KGGIUMABWAPMHW-UHFFFAOYSA-N 0 3 326.357 -0.282 20 5 EBBDHN CCc1n[nH]c(C(=O)N(CCN(C)C)CC(=O)N(C)C)c1[N+](=O)[O-] ZINC000598183958 378157861 /nfs/dbraw/zinc/15/78/61/378157861.db2.gz CSYLUGMCSOYEHT-UHFFFAOYSA-N 0 3 340.384 -0.028 20 5 EBBDHN CCc1[nH]nc(C(=O)N(CCN(C)C)CC(=O)N(C)C)c1[N+](=O)[O-] ZINC000598183958 378157862 /nfs/dbraw/zinc/15/78/62/378157862.db2.gz CSYLUGMCSOYEHT-UHFFFAOYSA-N 0 3 340.384 -0.028 20 5 EBBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2C[C@@H](CO)[C@H](CO)C2)c1 ZINC000599531375 378254929 /nfs/dbraw/zinc/25/49/29/378254929.db2.gz VDMAHOPLAGSWET-OBJOEFQTSA-N 0 3 326.349 -0.133 20 5 EBBDHN COC(=O)[C@@]1(OC)CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000599562935 378258704 /nfs/dbraw/zinc/25/87/04/378258704.db2.gz KJXVNPQOSPOLMX-DGCLKSJQSA-N 0 3 328.325 -0.584 20 5 EBBDHN CN1CCN(C(=O)C(=O)NCCc2ccccc2[N+](=O)[O-])[C@@H](CN)C1 ZINC000568737317 378422403 /nfs/dbraw/zinc/42/24/03/378422403.db2.gz JNTJAYICXSOQDR-ZDUSSCGKSA-N 0 3 349.391 -0.645 20 5 EBBDHN N[C@@H]1C[C@@H]2CN(C(=O)c3n[nH]c4ccc([N+](=O)[O-])cc43)CCN2C1=O ZINC000571106806 378549404 /nfs/dbraw/zinc/54/94/04/378549404.db2.gz QVMNJIRTOZSVOI-MWLCHTKSSA-N 0 3 344.331 -0.145 20 5 EBBDHN COc1ccc([N+](=O)[O-])c(C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c1 ZINC000571581563 378554360 /nfs/dbraw/zinc/55/43/60/378554360.db2.gz GSTQRIJWZMJZKP-CABZTGNLSA-N 0 3 334.332 -0.013 20 5 EBBDHN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NC[C@@H]1CNCCO1 ZINC000572000534 378565424 /nfs/dbraw/zinc/56/54/24/378565424.db2.gz WWINRVOWMKXLNK-WDEREUQCSA-N 0 3 340.384 -0.068 20 5 EBBDHN O=C1N=NCN1C1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000574023547 379224773 /nfs/dbraw/zinc/22/47/73/379224773.db2.gz NJDIYHUXFDPFGN-GFCCVEGCSA-N 0 3 337.340 -0.214 20 5 EBBDHN COCCNCCNC(=O)C(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000419762806 379345470 /nfs/dbraw/zinc/34/54/70/379345470.db2.gz SYOZWEWNQUPDPF-UHFFFAOYSA-N 0 3 338.364 -0.128 20 5 EBBDHN O=[N+]([O-])c1cnn(CCN2CCC(O)(CN3CCOCC3)CC2)c1 ZINC000368680415 379373291 /nfs/dbraw/zinc/37/32/91/379373291.db2.gz MJJRWORUJNRXMB-UHFFFAOYSA-N 0 3 339.396 -0.050 20 5 EBBDHN NC(=O)[C@]1(O)CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000276587608 379480478 /nfs/dbraw/zinc/48/04/78/379480478.db2.gz PKMQQRFZJTVBLB-YGRLFVJLSA-N 0 3 325.321 -0.743 20 5 EBBDHN C[C@H](CO)N1CCCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000346613255 380736866 /nfs/dbraw/zinc/73/68/66/380736866.db2.gz GYHFOIWEMHTXIS-TZMCWYRMSA-N 0 3 327.385 -0.459 20 5 EBBDHN CN(C)CCNC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000269734714 381205217 /nfs/dbraw/zinc/20/52/17/381205217.db2.gz ZYVMUIUUQNZMRH-UHFFFAOYSA-N 0 3 344.393 -0.107 20 5 EBBDHN COc1ccc(S(=O)(=O)NC[C@H]2CNCCO2)cc1[N+](=O)[O-] ZINC000262292079 154223590 /nfs/dbraw/zinc/22/35/90/154223590.db2.gz NKCAMHVFHSRTOY-SECBINFHSA-N 0 3 331.350 -0.130 20 5 EBBDHN C[C@H](N)C(=O)NCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000262424150 154229762 /nfs/dbraw/zinc/22/97/62/154229762.db2.gz GSMBKDGUGOLILT-QMMMGPOBSA-N 0 3 330.366 -0.126 20 5 EBBDHN C[C@H](C[NH+](C)C)NC(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000346187539 156389711 /nfs/dbraw/zinc/38/97/11/156389711.db2.gz DWYIEJJLBYMMEV-SNVBAGLBSA-N 0 3 344.393 -0.061 20 5 EBBDHN CC1C(=O)N(C)S(=O)(=O)N1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000282910097 419006184 /nfs/dbraw/zinc/00/61/84/419006184.db2.gz FOWYJBJGDZUYAW-SSDOTTSWSA-N 0 3 342.333 -0.399 20 5 EBBDHN C[C@@H]1CN(C[C@@H](O)CNCCn2cc([N+](=O)[O-])cn2)C[C@H](C)O1 ZINC000516965830 419090060 /nfs/dbraw/zinc/09/00/60/419090060.db2.gz NUYDAOHYSXILPZ-SCRDCRAPSA-N 0 3 327.385 -0.149 20 5 EBBDHN N[C@H]1C[C@@H]2CN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CCN2C1=O ZINC000522014228 420898789 /nfs/dbraw/zinc/89/87/89/420898789.db2.gz LUWLRZCFESGUPF-ZJUUUORDSA-N 0 3 340.361 -0.473 20 5 EBBDHN CC(C)[C@@H]([NH3+])CNC(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000422847246 420921464 /nfs/dbraw/zinc/92/14/64/420921464.db2.gz HVFWEGNJKLCYMB-JTQLQIEISA-N 0 3 344.393 -0.027 20 5 EBBDHN [NH3+]C[C@@H]1CCCN1C(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000422883592 420921668 /nfs/dbraw/zinc/92/16/68/420921668.db2.gz QUSGCSHUDFTYGD-JTQLQIEISA-N 0 3 342.377 -0.177 20 5 EBBDHN C[NH2+][C@H]1CCN(C(=O)C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000422716686 420922161 /nfs/dbraw/zinc/92/21/61/420922161.db2.gz UZORAEFHBVXQIJ-JTQLQIEISA-N 0 3 342.377 -0.307 20 5 EBBDHN C[C@H]([NH3+])[C@H](C)NC(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000423679176 265031397 /nfs/dbraw/zinc/03/13/97/265031397.db2.gz LSOMDCNMMDAPOC-IUCAKERBSA-N 0 3 330.366 -0.275 20 5 EBBDHN CS(=O)(=O)c1ccc(NCCNC(=O)[C@@H]2C[C@@H]2N)c([N+](=O)[O-])c1 ZINC000424063982 265047958 /nfs/dbraw/zinc/04/79/58/265047958.db2.gz NQJOJGYHVJUJNV-ZJUUUORDSA-N 0 3 342.377 -0.126 20 5 EBBDHN C[C@@H](CN1CCOCC1)N(C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000434711687 265212340 /nfs/dbraw/zinc/21/23/40/265212340.db2.gz QSMMGDGPNLDQJD-JSGCOSHPSA-N 0 3 327.385 -0.195 20 5 EBBDHN O=C1N[C@H]2CN(C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC[C@@H]2CO1 ZINC000830944222 583972399 /nfs/dbraw/zinc/97/23/99/583972399.db2.gz WLAWINZVNDQKNK-USWWRNFRSA-N 0 3 325.325 -0.418 20 5 EBBDHN Nc1ccc(C(=O)Nc2nc(N3CCNCC3)n[nH]2)cc1[N+](=O)[O-] ZINC000832811991 584002222 /nfs/dbraw/zinc/00/22/22/584002222.db2.gz QDBZWMOYLKVREA-UHFFFAOYSA-N 0 3 332.324 -0.043 20 5 EBBDHN O=[N+]([O-])c1ccc([C@@H](O)CN[C@H](CO)CN2CCOCC2)cc1 ZINC000843113398 584071294 /nfs/dbraw/zinc/07/12/94/584071294.db2.gz NTUOCWGFMHCJQX-ZFWWWQNUSA-N 0 3 325.365 -0.089 20 5 EBBDHN Cn1cnc([N+](=O)[O-])c1CNCC1CCN(C(=O)CC(N)=O)CC1 ZINC000997626753 726457913 /nfs/dbraw/zinc/45/79/13/726457913.db2.gz KONNIVOENRINOZ-UHFFFAOYSA-N 0 3 338.368 -0.468 20 5 EBBDHN Cn1cnc([N+](=O)[O-])c1CNC[C@H]1C[C@H](NC(=O)c2cnnn2C)C1 ZINC000983589377 807046998 /nfs/dbraw/zinc/04/69/98/807046998.db2.gz FXVIXMIYAIYLFD-MGCOHNPYSA-N 0 3 348.367 -0.245 20 5 EBBDHN Cn1cnc([N+](=O)[O-])c1CNC[C@@H]1C[C@@H](NC(=O)c2cnn(C)n2)C1 ZINC000984924922 807413885 /nfs/dbraw/zinc/41/38/85/807413885.db2.gz QCOGHEZCHMEPPQ-MGCOHNPYSA-N 0 3 348.367 -0.245 20 5 EBBDHN CN(C)c1ccncc1C(=O)N1CC(NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000991299413 809255725 /nfs/dbraw/zinc/25/57/25/809255725.db2.gz VAWWWEMOGINMRF-ZWNOBZJWSA-N 0 3 333.348 -0.247 20 5 EBBDHN CC(C)n1nnnc1CN[C@H]1C[C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001086363118 816307745 /nfs/dbraw/zinc/30/77/45/816307745.db2.gz CLZZRCUDNDNWLB-DDHJBXDOSA-N 0 3 337.384 -0.096 20 5 EBBDHN CCN1CCN(C[C@H](C)CNC(=O)Cn2cnc([N+](=O)[O-])n2)CC1 ZINC001318458942 822320516 /nfs/dbraw/zinc/32/05/16/822320516.db2.gz BSIPGVCZCROVKA-GFCCVEGCSA-N 0 3 339.400 -0.424 20 5 EBBDHN CNS(=O)(=O)CCC(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001127082469 828249695 /nfs/dbraw/zinc/24/96/95/828249695.db2.gz RBALQYSNWZMNET-UHFFFAOYSA-N 0 3 344.393 -0.260 20 5 EBBDHN Cn1cnc([N+](=O)[O-])c1CNCCCNC(=O)CNC(=O)C1CC1 ZINC001155028957 831380471 /nfs/dbraw/zinc/38/04/71/831380471.db2.gz AGLPOLRTXXTBMX-UHFFFAOYSA-N 0 3 338.368 -0.550 20 5 EBBDHN Cn1cnc([N+](=O)[O-])c1CNCCCNC(=O)c1cc(=O)n(C)cn1 ZINC001160250317 831828910 /nfs/dbraw/zinc/82/89/10/831828910.db2.gz YONFARLEGXUUOA-UHFFFAOYSA-N 0 3 349.351 -0.668 20 5 EBBDHN CC(C)NC(=O)NCCN1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001195761979 835285475 /nfs/dbraw/zinc/28/54/75/835285475.db2.gz USQQONRNTMRHHI-CHWSQXEVSA-N 0 3 341.412 -0.107 20 5 EBBDHN CN(CCCNCc1c([N+](=O)[O-])ncn1C)C(=O)Cn1cncn1 ZINC001322825304 839278215 /nfs/dbraw/zinc/27/82/15/839278215.db2.gz CRNPTDFDLYFWHC-UHFFFAOYSA-N 0 3 336.356 -0.442 20 5 EBBDHN CN1CCN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)[C@@H](CN)C1 ZINC000578130816 375924609 /nfs/dbraw/zinc/92/46/09/375924609.db2.gz HPNFMIBYTNYEKJ-ZDUSSCGKSA-N 0 3 345.363 -0.110 20 5 EBBDHN CN1CC[C@H]2OCCN(C(=O)Cn3cc([N+](=O)[O-])ccc3=O)[C@@H]2C1 ZINC000286017505 375926594 /nfs/dbraw/zinc/92/65/94/375926594.db2.gz ZXIDYPCUMWVPCH-CHWSQXEVSA-N 0 3 336.348 -0.312 20 5 EBBDHN CN1CC[C@H]2OCCN(C(=O)Cn3cc([N+](=O)[O-])ccc3=O)[C@H]2C1 ZINC000286017513 375927505 /nfs/dbraw/zinc/92/75/05/375927505.db2.gz ZXIDYPCUMWVPCH-QWHCGFSZSA-N 0 3 336.348 -0.312 20 5 EBBDHN Cc1cc(C(=O)NCC(=O)N[C@@H](CO)CN(C)C)ccc1[N+](=O)[O-] ZINC000588863750 376397234 /nfs/dbraw/zinc/39/72/34/376397234.db2.gz GMTFYMOTKCTXBQ-GFCCVEGCSA-N 0 3 338.364 -0.328 20 5 EBBDHN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](CO)CN(C)C ZINC000588864396 376397885 /nfs/dbraw/zinc/39/78/85/376397885.db2.gz HAIBDLDDCDEURW-CMPLNLGQSA-N 0 3 338.364 -0.248 20 5 EBBDHN CN(Cc1ccccc1[N+](=O)[O-])C(=O)C(=O)N1CCN(C)C[C@@H]1CN ZINC000562961662 377067704 /nfs/dbraw/zinc/06/77/04/377067704.db2.gz LYBYABXLOJFDNO-ZDUSSCGKSA-N 0 3 349.391 -0.346 20 5 EBBDHN CNS(=O)(=O)c1ccc(N[C@@H](CO)CN(C)C)c([N+](=O)[O-])c1 ZINC000589101826 377399089 /nfs/dbraw/zinc/39/90/89/377399089.db2.gz NOXRBPONDAQRLY-SECBINFHSA-N 0 3 332.382 -0.163 20 5 EBBDHN O=[N+]([O-])c1cnn(C[C@@H](O)CNC[C@@H]2CCCCS2(=O)=O)c1 ZINC000566674214 377601199 /nfs/dbraw/zinc/60/11/99/377601199.db2.gz FNDIDEIZUQDZEB-RYUDHWBXSA-N 0 3 332.382 -0.291 20 5 EBBDHN O=C(C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])NCC[NH2+]C1CC1 ZINC000592467938 377837127 /nfs/dbraw/zinc/83/71/27/377837127.db2.gz FFHOHHWRIBQNGQ-UHFFFAOYSA-N 0 3 342.377 -0.259 20 5 EBBDHN Cc1nn(C)c(C(=O)N2CCN(CCN(C)C)C(=O)C2)c1[N+](=O)[O-] ZINC000593234658 377877952 /nfs/dbraw/zinc/87/79/52/377877952.db2.gz LHQOIDYUBHDSFE-UHFFFAOYSA-N 0 3 338.368 -0.517 20 5 EBBDHN CN(C)CCN1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)CC1=O ZINC000593234697 377878427 /nfs/dbraw/zinc/87/84/27/377878427.db2.gz MHARYCYNKANTPP-UHFFFAOYSA-N 0 3 338.368 -0.586 20 5 EBBDHN CN(C)CCN1CCN(c2ccc3ncc([N+](=O)[O-])n3n2)CC1=O ZINC000593485643 377886850 /nfs/dbraw/zinc/88/68/50/377886850.db2.gz AJQRSGLSTMTFEB-UHFFFAOYSA-N 0 3 333.352 -0.152 20 5 EBBDHN O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000594394617 377936589 /nfs/dbraw/zinc/93/65/89/377936589.db2.gz YOYPNJVYZZFWBL-UONOGXRCSA-N 0 3 348.359 -0.398 20 5 EBBDHN Cc1nc([N+](=O)[O-])cn1CC(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000598186076 378158560 /nfs/dbraw/zinc/15/85/60/378158560.db2.gz KRFCOBRBJVWZLG-UHFFFAOYSA-N 0 3 340.384 -0.422 20 5 EBBDHN CNC(=O)c1ccc(N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000571418640 378550895 /nfs/dbraw/zinc/55/08/95/378550895.db2.gz XGFGODOUDYCOSH-MNOVXSKESA-N 0 3 333.348 -0.297 20 5 EBBDHN CNS(=O)(=O)CCNC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000571159493 379089387 /nfs/dbraw/zinc/08/93/87/379089387.db2.gz PWYPAZQEMUPCOC-JTQLQIEISA-N 0 3 333.366 -0.527 20 5 EBBDHN CN1CCN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)[C@@H](CN)C1 ZINC000388108475 379204966 /nfs/dbraw/zinc/20/49/66/379204966.db2.gz YPIIXQPOVAHMAD-ZDUSSCGKSA-N 0 3 328.394 -0.001 20 5 EBBDHN O=[N+]([O-])c1cc2c(cc1S(=O)(=O)[N-][C@@H]1[C@H]3C[NH2+]C[C@H]31)OCCO2 ZINC000366287414 379244092 /nfs/dbraw/zinc/24/40/92/379244092.db2.gz PGEXUFCICKDVEY-BWPRHRIFSA-N 0 3 341.345 -0.138 20 5 EBBDHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)c2c[nH]nc2[N+](=O)[O-])CC1 ZINC000554887521 379250213 /nfs/dbraw/zinc/25/02/13/379250213.db2.gz HTLZJOBWJVXUHC-NSHDSACASA-N 0 3 336.352 -0.304 20 5 EBBDHN NC[C@H](NC(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1)C1CCCC1 ZINC000419465374 379340077 /nfs/dbraw/zinc/34/00/77/379340077.db2.gz OWLBZNSIJSHKFA-LBPRGKRZSA-N 0 3 338.368 -0.459 20 5 EBBDHN CO[C@@H](CN)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000353174889 379687774 /nfs/dbraw/zinc/68/77/74/379687774.db2.gz WOJNLZHVGYYVOX-VIFPVBQESA-N 0 3 342.377 -0.086 20 5 EBBDHN CN1CCN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)[C@H](CN)C1 ZINC000162267162 381665869 /nfs/dbraw/zinc/66/58/69/381665869.db2.gz ZPDXBEXZSIMVFH-GFCCVEGCSA-N 0 3 345.363 -0.110 20 5 EBBDHN O=C(NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])[C@H]1CCC[NH2+]1 ZINC000261724524 154197613 /nfs/dbraw/zinc/19/76/13/154197613.db2.gz NTMVKZLSEHSNRG-SNVBAGLBSA-N 0 3 342.377 -0.259 20 5 EBBDHN COc1ccc(S(=O)(=O)NC[C@@H]2CNCCO2)c([N+](=O)[O-])c1 ZINC000262054386 154210493 /nfs/dbraw/zinc/21/04/93/154210493.db2.gz DEVCASLYBAIZOS-JTQLQIEISA-N 0 3 331.350 -0.130 20 5 EBBDHN C[C@H](N)C(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000262247405 154220049 /nfs/dbraw/zinc/22/00/49/154220049.db2.gz RIZKOCYPIIUELT-JTQLQIEISA-N 0 3 342.377 -0.225 20 5 EBBDHN COc1ccc(NC(=O)C(=O)NC[C@H](O)CN(C)C)cc1[N+](=O)[O-] ZINC000360576256 157385467 /nfs/dbraw/zinc/38/54/67/157385467.db2.gz LBWPNSPLLXZCOO-JTQLQIEISA-N 0 3 340.336 -0.419 20 5 EBBDHN C[C@H]([NH3+])CCNC(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000422775208 420921728 /nfs/dbraw/zinc/92/17/28/420921728.db2.gz AOHKFYOUAWNISW-VIFPVBQESA-N 0 3 330.366 -0.273 20 5 EBBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@@H](O)[C@@H](O)C1 ZINC000278726999 420937347 /nfs/dbraw/zinc/93/73/47/420937347.db2.gz LBAXXNGCLXYRRV-TXEJJXNPSA-N 0 3 325.321 -0.031 20 5 EBBDHN [NH3+]C1(CNC(=O)C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CCC1 ZINC000423504044 265008896 /nfs/dbraw/zinc/00/88/96/265008896.db2.gz FUGCSINYNRTXIO-UHFFFAOYSA-N 0 3 342.377 -0.129 20 5 EBBDHN Cn1cnc([N+](=O)[O-])c1CN1CCC[C@H](C(=O)N2CCNCC2)C1 ZINC000430613370 265150220 /nfs/dbraw/zinc/15/02/20/265150220.db2.gz WBEUMNQRLLAHDA-LBPRGKRZSA-N 0 3 336.396 -0.028 20 5 EBBDHN CC[C@H](CO)N1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000075962718 522210054 /nfs/dbraw/zinc/21/00/54/522210054.db2.gz ADVDWYGOFYLADO-TZMCWYRMSA-N 0 3 327.385 -0.459 20 5 EBBDHN Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)OCC(C)[N+](=O)[O-] ZINC000813102796 583698017 /nfs/dbraw/zinc/69/80/17/583698017.db2.gz VTAXGCQZFBBHOC-IONNQARKSA-N 0 3 348.381 -0.088 20 5 EBBDHN Cc1nc(S(=O)(=O)NCCC(=O)OCC(C)[N+](=O)[O-])cn1C ZINC000813111482 583698031 /nfs/dbraw/zinc/69/80/31/583698031.db2.gz IJZIOLGFSZIPJE-MRVPVSSYSA-N 0 3 334.354 -0.395 20 5 EBBDHN CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(C(=O)Cn2ccnc2C)C1 ZINC000967952081 724939258 /nfs/dbraw/zinc/93/92/58/724939258.db2.gz YNGGUNITUODHPP-CHWSQXEVSA-N 0 3 335.364 -0.084 20 5 EBBDHN O=C(CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC1[N+](=O)[O-])NC1CCCC1 ZINC001025775769 730086497 /nfs/dbraw/zinc/08/64/97/730086497.db2.gz MRGBGFPDJRIVHS-VVSAWPALSA-N 0 3 336.392 -0.243 20 5 EBBDHN Cn1cnc([N+](=O)[O-])c1CNC[C@@H]1C[C@@H](NC(=O)c2nnn(C)n2)C1 ZINC000984596552 807351190 /nfs/dbraw/zinc/35/11/90/807351190.db2.gz VZGQVRVHXUNWJR-KYZUINATSA-N 0 3 349.355 -0.850 20 5 EBBDHN CCS(=O)(=O)NCCN1CCC(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001227257474 811913078 /nfs/dbraw/zinc/91/30/78/811913078.db2.gz APZXUABQAFTUJB-VXGBXAGGSA-N 0 3 348.425 -0.829 20 5 EBBDHN Cc1cc(NC(=O)CNC2(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)on1 ZINC001269411486 814681831 /nfs/dbraw/zinc/68/18/31/814681831.db2.gz JIWBEOXQQVIIHS-NXEZZACHSA-N 0 3 337.336 -0.175 20 5 EBBDHN CN(CCS(C)(=O)=O)CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001317872749 822228475 /nfs/dbraw/zinc/22/84/75/822228475.db2.gz XMEMZVOHAFOHJQ-CHWSQXEVSA-N 0 3 347.437 -0.133 20 5 EBBDHN CS(=O)(=O)NCCC(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001128601070 828483219 /nfs/dbraw/zinc/48/32/19/828483219.db2.gz JOMDQEFURUICSS-UHFFFAOYSA-N 0 3 344.393 -0.260 20 5 EBBDHN Cn1cnc([N+](=O)[O-])c1CNCCCNC(=O)C1=COCCO1 ZINC001154362606 831327829 /nfs/dbraw/zinc/32/78/29/831327829.db2.gz XRCYADWPAULSKB-UHFFFAOYSA-N 0 3 325.325 -0.188 20 5 EBBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCN(CCCCCO)CC2)c1 ZINC001196554035 835432039 /nfs/dbraw/zinc/43/20/39/835432039.db2.gz IBHSNNNKJIEMSG-OAHLLOKOSA-N 0 3 341.412 -0.068 20 5 EBBDHN COCC(=O)NC1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC001318853838 838040330 /nfs/dbraw/zinc/04/03/30/838040330.db2.gz PTGLUQVILHFXJE-CYBMUJFWSA-N 0 3 341.368 -0.621 20 5 EBBDHN O=C(NC1CNC1)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000577608668 375885911 /nfs/dbraw/zinc/88/59/11/375885911.db2.gz SLGUQKNCIWHBQU-UHFFFAOYSA-N 0 3 333.348 -0.669 20 5 EBBDHN CCn1cc(S(=O)(=O)N2C[C@H]3CN(C)C[C@H]3C2)c([N+](=O)[O-])n1 ZINC000408357740 376872503 /nfs/dbraw/zinc/87/25/03/376872503.db2.gz CIPJRYNVAFBCAO-AOOOYVTPSA-N 0 3 329.382 -0.007 20 5 EBBDHN CC[C@@H](CNS(C)(=O)=O)NC[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000570794725 377282822 /nfs/dbraw/zinc/28/28/22/377282822.db2.gz FVYJDXMZHDPGDZ-ONGXEEELSA-N 0 3 335.386 -0.930 20 5 EBBDHN N[C@@H]1C[C@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])s3)CCN2C1=O ZINC000580097030 377354428 /nfs/dbraw/zinc/35/44/28/377354428.db2.gz XUZAJGWYQKAMBA-JGVFFNPUSA-N 0 3 346.390 -0.411 20 5 EBBDHN N[C@H]1C[C@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])s3)CCN2C1=O ZINC000580097032 377355749 /nfs/dbraw/zinc/35/57/49/377355749.db2.gz XUZAJGWYQKAMBA-YUMQZZPRSA-N 0 3 346.390 -0.411 20 5 EBBDHN CC(C)[C@H](N)C(=O)NCC(=O)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000580715552 377401031 /nfs/dbraw/zinc/40/10/31/377401031.db2.gz IRGMKQHDPAOIOF-AWEZNQCLSA-N 0 3 335.364 -0.026 20 5 EBBDHN CN(C)C[C@H](CO)NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000590369302 377479902 /nfs/dbraw/zinc/47/99/02/377479902.db2.gz BOPKXBQLGSTLID-SNVBAGLBSA-N 0 3 334.336 -0.172 20 5 EBBDHN O=C(C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])N[C@H]1CC[NH2+]C1 ZINC000592463641 377833252 /nfs/dbraw/zinc/83/32/52/377833252.db2.gz IBLQNEXYRAUQIG-VIFPVBQESA-N 0 3 328.350 -0.649 20 5 EBBDHN N[C@@H]1C[C@H]2CN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CCN2C1=O ZINC000594876029 377964985 /nfs/dbraw/zinc/96/49/85/377964985.db2.gz ZTMGSWYBVFLXQA-CMPLNLGQSA-N 0 3 340.361 -0.473 20 5 EBBDHN CN(C)C(=O)N(C)[C@@H]1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000595826887 378029125 /nfs/dbraw/zinc/02/91/25/378029125.db2.gz PNHSOACLYIHHQQ-DGCLKSJQSA-N 0 3 340.384 -0.160 20 5 EBBDHN CN(C)C[C@@H](CO)Nc1ncnc(N2CCOCC2)c1[N+](=O)[O-] ZINC000598626057 378173570 /nfs/dbraw/zinc/17/35/70/378173570.db2.gz YPFMNQUCXDBAGF-JTQLQIEISA-N 0 3 326.357 -0.444 20 5 EBBDHN CC(C)(C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)n1cc([N+](=O)[O-])cn1 ZINC000569002093 378445583 /nfs/dbraw/zinc/44/55/83/378445583.db2.gz XCZWDPYBZJNVIP-GXSJLCMTSA-N 0 3 336.352 -0.703 20 5 EBBDHN CN(C(=O)CN1CCN2C(=O)[C@@H](N)C[C@@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000570412253 378509913 /nfs/dbraw/zinc/50/99/13/378509913.db2.gz WYXCQIMHNMPNKT-KGLIPLIRSA-N 0 3 347.375 -0.199 20 5 EBBDHN O=C(CN1CCNCC1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000325004922 378538327 /nfs/dbraw/zinc/53/83/27/378538327.db2.gz AQXIGOLOFPXJBF-UHFFFAOYSA-N 0 3 334.380 -0.456 20 5 EBBDHN CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NC[C@H]1CNCCO1 ZINC000572000531 378566053 /nfs/dbraw/zinc/56/60/53/378566053.db2.gz WWINRVOWMKXLNK-GHMZBOCLSA-N 0 3 340.384 -0.068 20 5 EBBDHN COCCN1CCC[C@H]1CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000069501404 379084625 /nfs/dbraw/zinc/08/46/25/379084625.db2.gz ASKCVTAGHONBTL-LBPRGKRZSA-N 0 3 338.364 -0.017 20 5 EBBDHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000355338296 379718077 /nfs/dbraw/zinc/71/80/77/379718077.db2.gz RMIQTVUKRXNUSY-NSHDSACASA-N 0 3 326.357 -0.245 20 5 EBBDHN CN[C@@H](C)C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000583882309 381193728 /nfs/dbraw/zinc/19/37/28/381193728.db2.gz BNYDRVKFZZCFDU-VIFPVBQESA-N 0 3 330.366 -0.403 20 5 EBBDHN N[C@H]1C[C@@H]2CN(c3cc4nc[nH]c(=O)c4cc3[N+](=O)[O-])CCN2C1=O ZINC000580465405 381759249 /nfs/dbraw/zinc/75/92/49/381759249.db2.gz HNOYPPMGPXGNJS-SCZZXKLOSA-N 0 3 344.331 -0.008 20 5 EBBDHN Nc1nc(N2CCN(C(=O)CN3CCCC3)CC2)ncc1[N+](=O)[O-] ZINC000301183550 155168636 /nfs/dbraw/zinc/16/86/36/155168636.db2.gz IRCCCLKHKKKVMC-UHFFFAOYSA-N 0 3 335.368 -0.289 20 5 EBBDHN C[C@@H](C(=O)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])[C@H](C)[NH3+] ZINC000262529673 154237195 /nfs/dbraw/zinc/23/71/95/154237195.db2.gz MWYQKXJAOFZSTC-ZJUUUORDSA-N 0 3 344.393 -0.027 20 5 EBBDHN CNC(=O)C[C@H](C)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000268795930 154425878 /nfs/dbraw/zinc/42/58/78/154425878.db2.gz DNKFWIUSDWQYOQ-JTQLQIEISA-N 0 3 344.393 -0.013 20 5 EBBDHN Nc1c(C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cc(F)cc1[N+](=O)[O-] ZINC000516982167 419090595 /nfs/dbraw/zinc/09/05/95/419090595.db2.gz WNOGBKRXDLVZEX-WPRPVWTQSA-N 0 3 337.311 -0.300 20 5 EBBDHN C[C@@H](NC(=O)C(=O)N1CCN(C)C[C@@H]1CN)c1ccccc1[N+](=O)[O-] ZINC000516856911 419090814 /nfs/dbraw/zinc/09/08/14/419090814.db2.gz LABKHXKJJYEWQR-NEPJUHHUSA-N 0 3 349.391 -0.127 20 5 EBBDHN Nc1c(C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cc(F)cc1[N+](=O)[O-] ZINC000516982164 419091510 /nfs/dbraw/zinc/09/15/10/419091510.db2.gz WNOGBKRXDLVZEX-PSASIEDQSA-N 0 3 337.311 -0.300 20 5 EBBDHN CN(C)[C@H]1CN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H]1O ZINC000518061596 419274353 /nfs/dbraw/zinc/27/43/53/419274353.db2.gz ASBGVHNTORPHSA-SNPRPXQTSA-N 0 3 325.365 -0.059 20 5 EBBDHN N[C@H]1C[C@H]2CN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CCN2C1=O ZINC000522014226 420898664 /nfs/dbraw/zinc/89/86/64/420898664.db2.gz LUWLRZCFESGUPF-UWVGGRQHSA-N 0 3 340.361 -0.473 20 5 EBBDHN C[NH2+]C[C@@H](C)CNC(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000422826447 420920995 /nfs/dbraw/zinc/92/09/95/420920995.db2.gz LNLANCAZHXFWRK-SNVBAGLBSA-N 0 3 344.393 -0.155 20 5 EBBDHN [NH3+]C[C@H]1CCCN1C(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000422883594 420921416 /nfs/dbraw/zinc/92/14/16/420921416.db2.gz QUSGCSHUDFTYGD-SNVBAGLBSA-N 0 3 342.377 -0.177 20 5 EBBDHN C[C@H](N)C(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000489920885 420939753 /nfs/dbraw/zinc/93/97/53/420939753.db2.gz DBGGQOMKUSIBLB-JTQLQIEISA-N 0 3 342.377 -0.225 20 5 EBBDHN CNc1nccc(C(=O)N[C@H](C)C(=O)NCCN(C)C)c1[N+](=O)[O-] ZINC000569707711 421220897 /nfs/dbraw/zinc/22/08/97/421220897.db2.gz JPOXMFVXSAUABM-SECBINFHSA-N 0 3 338.368 -0.172 20 5 EBBDHN Cc1cc(C(=O)NCC(=O)NC[C@@H]2CNCCO2)ccc1[N+](=O)[O-] ZINC000423991293 265046885 /nfs/dbraw/zinc/04/68/85/265046885.db2.gz LNENDKMSKNYFPS-LBPRGKRZSA-N 0 3 336.348 -0.262 20 5 EBBDHN O=C(NC[C@H]1CNCCO1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000517358433 545770990 /nfs/dbraw/zinc/77/09/90/545770990.db2.gz AGPZXBLZKSPXFY-LLVKDONJSA-N 0 3 332.320 -0.106 20 5 EBBDHN CCNS(=O)(=O)CCNC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000819043208 583754211 /nfs/dbraw/zinc/75/42/11/583754211.db2.gz QDFVSBHCKGBRBO-NSHDSACASA-N 0 3 347.393 -0.137 20 5 EBBDHN O=[N+]([O-])c1cccc([C@H](O)CN[C@@H](CO)CN2CCOCC2)c1 ZINC000843116984 584071636 /nfs/dbraw/zinc/07/16/36/584071636.db2.gz XMMLHSMKEZUJGL-UKRRQHHQSA-N 0 3 325.365 -0.089 20 5 EBBDHN CN(C)CCN(CC(=O)N(C)C)C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000855695110 584262955 /nfs/dbraw/zinc/26/29/55/584262955.db2.gz HDXALXWPKQOOJV-UHFFFAOYSA-N 0 3 338.368 -0.336 20 5 EBBDHN CN1CCN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])[C@H](CN)C1 ZINC000124986076 584482163 /nfs/dbraw/zinc/48/21/63/584482163.db2.gz IDZCRVPASQCTRC-SECBINFHSA-N 0 3 332.357 -0.003 20 5 EBBDHN O=C(c1ccn[nH]1)N1CC2(C1)CN(C(=O)[C@@H]1CC1[N+](=O)[O-])CCO2 ZINC000965374386 724207206 /nfs/dbraw/zinc/20/72/06/724207206.db2.gz FQBXZTXRARYDSY-MWLCHTKSSA-N 0 3 335.320 -0.872 20 5 EBBDHN Cc1nnc(CC(=O)N[C@H]2C[C@H](NCc3c([N+](=O)[O-])ncn3C)C2)[nH]1 ZINC001020133333 729080562 /nfs/dbraw/zinc/08/05/62/729080562.db2.gz PMEBDRKEWVDZRQ-MGCOHNPYSA-N 0 3 348.367 -0.266 20 5 EBBDHN CS(=O)(=O)CCN1C[C@@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@@H]2C1 ZINC001048814458 734520404 /nfs/dbraw/zinc/52/04/04/734520404.db2.gz MKEWESFTQDHJPV-WRWGMCAJSA-N 0 3 331.394 -0.914 20 5 EBBDHN CC(COC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1)[N+](=O)[O-] ZINC001263475414 813113042 /nfs/dbraw/zinc/11/30/42/813113042.db2.gz HXJQCNPQZSGIDN-IUCAKERBSA-N 0 3 347.349 -0.640 20 5 EBBDHN CCN(CC)CC(=O)NCCN(C)c1ncc([N+](=O)[O-])c(N)n1 ZINC001100121364 820249837 /nfs/dbraw/zinc/24/98/37/820249837.db2.gz VJBXESDMIFTRJK-UHFFFAOYSA-N 0 3 325.373 -0.139 20 5 EBBDHN CCCN1CC[C@@H](NC(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC001118646205 826974661 /nfs/dbraw/zinc/97/46/61/826974661.db2.gz ZCXHVOWHMBCSID-LLVKDONJSA-N 0 3 338.368 -0.492 20 5 EBBDHN NC(=O)c1ncn(CC(=O)NCCNCc2cccc([N+](=O)[O-])c2)n1 ZINC001127648705 828310456 /nfs/dbraw/zinc/31/04/56/828310456.db2.gz XVVQHHSAZQSVFY-UHFFFAOYSA-N 0 3 347.335 -0.809 20 5 EBBDHN Cn1cc(C(=O)NCCNCc2cccc([N+](=O)[O-])c2)c(=O)[nH]c1=O ZINC001150971537 831004917 /nfs/dbraw/zinc/00/49/17/831004917.db2.gz HCWRFVGHZCYDJO-UHFFFAOYSA-N 0 3 347.331 -0.086 20 5 EBBDHN COC(=O)NCC(=O)NCCCNCc1c([N+](=O)[O-])ncn1C ZINC001155129880 831387160 /nfs/dbraw/zinc/38/71/60/831387160.db2.gz WPLQYLCORYUQJI-UHFFFAOYSA-N 0 3 328.329 -0.720 20 5 EBBDHN O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)N1CC(N[C@H]2CCOC2)C1 ZINC001157006405 831524226 /nfs/dbraw/zinc/52/42/26/831524226.db2.gz MIGCBTGVCIONRQ-LBPRGKRZSA-N 0 3 348.359 -0.086 20 5 EBBDHN Cn1cnc([N+](=O)[O-])c1CNCCCNC(=O)c1cc(=O)n(C)o1 ZINC001157127366 831537362 /nfs/dbraw/zinc/53/73/62/831537362.db2.gz GQFTYASDNUKPQD-UHFFFAOYSA-N 0 3 338.324 -0.470 20 5 EBBDHN CS(=O)(=O)c1ccc([N-][C@@]23CC[NH2+][C@H]2CC(=O)N3)c([N+](=O)[O-])c1 ZINC001163254596 832094578 /nfs/dbraw/zinc/09/45/78/832094578.db2.gz OKNSNGUSIHWXSM-WCQYABFASA-N 0 3 340.361 -0.012 20 5 EBBDHN COCCCOCC(=O)NCCCNCc1c([N+](=O)[O-])ncn1C ZINC001170540806 832512114 /nfs/dbraw/zinc/51/21/14/832512114.db2.gz XPDLJKRAZMUSEU-UHFFFAOYSA-N 0 3 343.384 -0.023 20 5 EBBDHN O=C(NC[C@@H]1CNCCO1)C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001328769837 840747800 /nfs/dbraw/zinc/74/78/00/840747800.db2.gz FHYQVEGGKFQXNB-ZDUSSCGKSA-N 0 3 334.332 -0.458 20 5 EBBDHN O=C1NCC2(CCN(C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)O1 ZINC001335646373 842324152 /nfs/dbraw/zinc/32/41/52/842324152.db2.gz VWZBXCBCTNASNR-NSHDSACASA-N 0 3 325.325 -0.273 20 5 EBBDHN Cn1c(C[N+](=O)[O-])nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001347420358 843616158 /nfs/dbraw/zinc/61/61/58/843616158.db2.gz JGSWFMKPBGOGAB-UHFFFAOYSA-N 0 3 337.384 -0.664 20 5 EBBDHN Cc1nn(C)c(C(=O)N2CC(CN3CCN(C)CC3)C2)c1[N+](=O)[O-] ZINC001648810352 1125800350 /nfs/dbraw/zinc/80/03/50/1125800350.db2.gz CAMMKOFOONWCSR-UHFFFAOYSA-N 0 3 336.396 -0.044 20 5 EBBDHN