smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(c1n[nH]cc1[N+](=O)[O-])N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000577608587 375886397 /nfs/dbraw/zinc/88/63/97/375886397.db2.gz VUWJBZQHVYMYMI-SNVBAGLBSA-N 1 0 336.352 -0.398 20 5 EBBDRO COC(=O)CC1([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCOCC1 ZINC000490000383 376230103 /nfs/dbraw/zinc/23/01/03/376230103.db2.gz PEBVWLSCXJHTRN-GFCCVEGCSA-N 1 0 342.352 -0.146 20 5 EBBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H](C)C(=O)NCC[NH+](C)C ZINC000588873640 376397421 /nfs/dbraw/zinc/39/74/21/376397421.db2.gz OCMBFVDMPHKDPQ-JTQLQIEISA-N 1 0 340.384 -0.328 20 5 EBBDRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000478750967 376630061 /nfs/dbraw/zinc/63/00/61/376630061.db2.gz QADROIFJJVWOMJ-ZDUSSCGKSA-N 1 0 335.364 -0.105 20 5 EBBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000289234516 376676163 /nfs/dbraw/zinc/67/61/63/376676163.db2.gz MIKXZEHFXURWOT-ZDUSSCGKSA-N 1 0 336.396 -0.004 20 5 EBBDRO NC(=O)C1(O)CC[NH+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000340217509 376701097 /nfs/dbraw/zinc/70/10/97/376701097.db2.gz IYDVUOFJZQBXNO-LLVKDONJSA-N 1 0 339.348 -0.353 20 5 EBBDRO CN(C)C(=O)[C@@H]1CC[C@H](C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)O1 ZINC000562991012 377066501 /nfs/dbraw/zinc/06/65/01/377066501.db2.gz LLAOARMRFYONIP-UPJWGTAASA-N 1 0 341.368 -0.622 20 5 EBBDRO CC[C@H](CNS(C)(=O)=O)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000570794724 377282077 /nfs/dbraw/zinc/28/20/77/377282077.db2.gz FVYJDXMZHDPGDZ-MWLCHTKSSA-N 1 0 335.386 -0.930 20 5 EBBDRO Nc1c(C(=O)NCC(=O)N2CC[NH2+]CC2)cc(F)cc1[N+](=O)[O-] ZINC000563106056 377385366 /nfs/dbraw/zinc/38/53/66/377385366.db2.gz DPIHBSUMXHWQLX-UHFFFAOYSA-N 1 0 325.300 -0.522 20 5 EBBDRO [NH3+][C@@H]1C[C@@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CCN2C1=O ZINC000563441566 377436381 /nfs/dbraw/zinc/43/63/81/377436381.db2.gz MFGPARQGHPRFNR-ZYHUDNBSSA-N 1 0 340.361 -0.473 20 5 EBBDRO C[C@H](NC(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000563522901 377439420 /nfs/dbraw/zinc/43/94/20/377439420.db2.gz UZIBSODGRMHYHX-FZMZJTMJSA-N 1 0 349.391 -0.127 20 5 EBBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@H](N3CCOCC3)C2)c1 ZINC000566425557 377531293 /nfs/dbraw/zinc/53/12/93/377531293.db2.gz FBXSHMAHKCPAHA-DZGCQCFKSA-N 1 0 339.396 -0.051 20 5 EBBDRO C[C@H]([NH3+])CNC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000591352611 377708957 /nfs/dbraw/zinc/70/89/57/377708957.db2.gz MKYCNWQVTPEKFU-VIFPVBQESA-N 1 0 345.381 -0.481 20 5 EBBDRO C[C@H]([NH3+])CNC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000591347765 377710253 /nfs/dbraw/zinc/71/02/53/377710253.db2.gz RUIKYSQAQICTGH-VIFPVBQESA-N 1 0 345.381 -0.481 20 5 EBBDRO NC(=O)Cc1ccc(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000591767630 377754939 /nfs/dbraw/zinc/75/49/39/377754939.db2.gz DWUFWRDQYPMSHH-CQSZACIVSA-N 1 0 333.348 -0.030 20 5 EBBDRO COC(=O)[C@@H]1C[C@H](O)C[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000592195982 377801818 /nfs/dbraw/zinc/80/18/18/377801818.db2.gz IVOAOFFGNFJJNG-ADEWGFFLSA-N 1 0 328.325 -0.992 20 5 EBBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000592375290 377822357 /nfs/dbraw/zinc/82/23/57/377822357.db2.gz BEHLGJFOPNZSQG-VIFPVBQESA-N 1 0 331.350 -0.048 20 5 EBBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000592477184 377838303 /nfs/dbraw/zinc/83/83/03/377838303.db2.gz SDOSQEGUCANOJM-BXUZGUMPSA-N 1 0 349.391 -0.186 20 5 EBBDRO Cc1nn(C)c(C(=O)N2CN(CC[NH+](C)C)C(=O)[C@H]2C)c1[N+](=O)[O-] ZINC000592877991 377857277 /nfs/dbraw/zinc/85/72/77/377857277.db2.gz BSVWNVDVROWPQW-SNVBAGLBSA-N 1 0 338.368 -0.171 20 5 EBBDRO NS(=O)(=O)c1ccc(N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000594604155 377944895 /nfs/dbraw/zinc/94/48/95/377944895.db2.gz SEBJBHVWNCEHQP-VHSXEESVSA-N 1 0 342.377 -0.503 20 5 EBBDRO O=[N+]([O-])c1cnn(C[C@@H](O)CN2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000075590451 377905687 /nfs/dbraw/zinc/90/56/87/377905687.db2.gz MGXHEEBYESUCML-LSDHHAIUSA-N 1 0 339.396 -0.051 20 5 EBBDRO O=[N+]([O-])c1cnn(C[C@@H](O)CN2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000075590432 377906160 /nfs/dbraw/zinc/90/61/60/377906160.db2.gz MGXHEEBYESUCML-GJZGRUSLSA-N 1 0 339.396 -0.051 20 5 EBBDRO [NH3+]C1(CC(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000595930532 378033974 /nfs/dbraw/zinc/03/39/74/378033974.db2.gz FCZAFNNXOWTYGU-UHFFFAOYSA-N 1 0 342.377 -0.129 20 5 EBBDRO COc1ccc(NC(=O)CN(CC[NH3+])C[C@@H](O)CO)c([N+](=O)[O-])c1 ZINC000595900180 378034641 /nfs/dbraw/zinc/03/46/41/378034641.db2.gz AGIPKSADUQUXIF-SNVBAGLBSA-N 1 0 342.352 -0.844 20 5 EBBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(CC[NH3+])C[C@H](O)CO ZINC000595901614 378034674 /nfs/dbraw/zinc/03/46/74/378034674.db2.gz YXJNDDUKPGQBKR-LBPRGKRZSA-N 1 0 326.353 -0.544 20 5 EBBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(CC[NH3+])C[C@H](O)CO ZINC000595901777 378034799 /nfs/dbraw/zinc/03/47/99/378034799.db2.gz ISIAUXMRJQNGFX-ZDUSSCGKSA-N 1 0 340.380 -0.154 20 5 EBBDRO NC(=O)C1([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCOCC1 ZINC000595728125 378026050 /nfs/dbraw/zinc/02/60/50/378026050.db2.gz JNDOJTJYSFZVBM-LLVKDONJSA-N 1 0 339.348 -0.041 20 5 EBBDRO O=C1CN(CC[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CCN1 ZINC000567711537 378187256 /nfs/dbraw/zinc/18/72/56/378187256.db2.gz GHWAVAACGALYEU-LBPRGKRZSA-N 1 0 338.364 -0.644 20 5 EBBDRO COc1cc(CCNc2nc(N)[nH+]c(N)n2)c([N+](=O)[O-])cc1OC ZINC000599018534 378195693 /nfs/dbraw/zinc/19/56/93/378195693.db2.gz XWJSZSBEWZFFFY-UHFFFAOYSA-N 1 0 335.324 -0.301 20 5 EBBDRO O=C(CNC(=O)Nc1cccc([N+](=O)[O-])c1)NC[C@H]1C[NH2+]CCO1 ZINC000598667574 378179478 /nfs/dbraw/zinc/17/94/78/378179478.db2.gz GAMAJCCHOXVDQI-GFCCVEGCSA-N 1 0 337.336 -0.179 20 5 EBBDRO [NH3+][C@@H]1C[C@@H]2CN(C(=O)c3cc4c(cc3[N+](=O)[O-])OCO4)CCN2C1=O ZINC000568654414 378406587 /nfs/dbraw/zinc/40/65/87/378406587.db2.gz PYIURLKGITYPCQ-PSASIEDQSA-N 1 0 348.315 -0.293 20 5 EBBDRO CC[C@H](CO)[NH+]1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000131347189 378372958 /nfs/dbraw/zinc/37/29/58/378372958.db2.gz MTNKKFRETCQPAG-GFCCVEGCSA-N 1 0 338.364 -0.328 20 5 EBBDRO CNC(=O)c1ccc(N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000571418642 378550484 /nfs/dbraw/zinc/55/04/84/378550484.db2.gz XGFGODOUDYCOSH-QWRGUYRKSA-N 1 0 333.348 -0.297 20 5 EBBDRO CN1CCN(C(=O)C(=O)NCc2cccc([N+](=O)[O-])c2)[C@@H](C[NH3+])C1 ZINC000563619833 379056843 /nfs/dbraw/zinc/05/68/43/379056843.db2.gz ZYGONCGFJSYHIM-ZDUSSCGKSA-N 1 0 335.364 -0.688 20 5 EBBDRO C[C@@H](C[NH3+])NC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000417266130 379325572 /nfs/dbraw/zinc/32/55/72/379325572.db2.gz BXFMPSOTHPLNID-VIFPVBQESA-N 1 0 345.381 -0.481 20 5 EBBDRO CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000419462846 379339796 /nfs/dbraw/zinc/33/97/96/379339796.db2.gz KFBTXVLFCVESDJ-LLVKDONJSA-N 1 0 338.368 -0.492 20 5 EBBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000619873713 379381627 /nfs/dbraw/zinc/38/16/27/379381627.db2.gz RAUYFDIBXLBMKA-ZDUSSCGKSA-N 1 0 336.396 -0.004 20 5 EBBDRO O=C(NC[C@H]1C[NH2+]CCO1)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000420205115 379350540 /nfs/dbraw/zinc/35/05/40/379350540.db2.gz RLEDBKPCTVWOFR-CQSZACIVSA-N 1 0 348.359 -0.416 20 5 EBBDRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000249397111 379357239 /nfs/dbraw/zinc/35/72/39/379357239.db2.gz RVDSFHAQAPHKDX-GXTWGEPZSA-N 1 0 341.412 -0.071 20 5 EBBDRO C[C@@H]1[C@H](N2CCOCC2)CC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000351982129 379651199 /nfs/dbraw/zinc/65/11/99/379651199.db2.gz MXPJFKMDKWLNQM-VHDGCEQUSA-N 1 0 339.396 -0.053 20 5 EBBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N(C)CC(=O)N1CC[NH2+]CC1 ZINC000353046220 379688415 /nfs/dbraw/zinc/68/84/15/379688415.db2.gz SAKHWQWKISWKPS-UHFFFAOYSA-N 1 0 338.368 -0.620 20 5 EBBDRO C[NH+](C)C[C@@](C)(O)CNc1cc([N+](=O)[O-])ccc1S(N)(=O)=O ZINC000272732749 379941086 /nfs/dbraw/zinc/94/10/86/379941086.db2.gz AOAWXIFDIORQMW-LBPRGKRZSA-N 1 0 332.382 -0.033 20 5 EBBDRO C[NH2+][C@@H]1CCN(C(=O)c2cc(S(N)(=O)=O)cc([N+](=O)[O-])c2C)C1 ZINC000269109876 380219683 /nfs/dbraw/zinc/21/96/83/380219683.db2.gz DRBXNDDWAIDGBO-SECBINFHSA-N 1 0 342.377 -0.015 20 5 EBBDRO Cc1c(C(=O)N[C@@H]2CC[NH2+]C2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000269130823 380221628 /nfs/dbraw/zinc/22/16/28/380221628.db2.gz KEQCBHLHJCIZIE-MRVPVSSYSA-N 1 0 328.350 -0.358 20 5 EBBDRO NC(=O)c1ccc(CN2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000581321525 381070373 /nfs/dbraw/zinc/07/03/73/381070373.db2.gz OBTOLYVWOOBWCP-VXGBXAGGSA-N 1 0 333.348 -0.563 20 5 EBBDRO [NH3+][C@H]1C[C@@H]2CN(C(=O)CNc3ccccc3[N+](=O)[O-])CCN2C1=O ZINC000582976372 381091051 /nfs/dbraw/zinc/09/10/51/381091051.db2.gz WXTJBQOTOOZKJB-MNOVXSKESA-N 1 0 333.348 -0.223 20 5 EBBDRO CN1CCN(C(=O)C(=O)NCCc2ccc([N+](=O)[O-])cc2)[C@@H](C[NH3+])C1 ZINC000581874429 381103643 /nfs/dbraw/zinc/10/36/43/381103643.db2.gz QKPWXKDKARFEEW-AWEZNQCLSA-N 1 0 349.391 -0.645 20 5 EBBDRO CC[NH+](CC)CC(=O)N1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000152378662 381114233 /nfs/dbraw/zinc/11/42/33/381114233.db2.gz YQPUPYNMFMVROT-UHFFFAOYSA-N 1 0 338.368 -0.056 20 5 EBBDRO O=C(NCCn1cc([N+](=O)[O-])cn1)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000583320681 381125869 /nfs/dbraw/zinc/12/58/69/381125869.db2.gz ICMDGQMBVSTIIG-JTQLQIEISA-N 1 0 334.340 -0.435 20 5 EBBDRO O=[N+]([O-])c1cnn(C[C@@H](O)CNC[C@H](O)C[NH+]2CCCCC2)c1 ZINC000584409054 381128755 /nfs/dbraw/zinc/12/87/55/381128755.db2.gz ALKZVNJPMRQVKT-KBPBESRZSA-N 1 0 327.385 -0.411 20 5 EBBDRO O=C(NCCn1cc([N+](=O)[O-])cn1)NC[C@@H]1CCC[N@H+]1CCCO ZINC000458573006 381294415 /nfs/dbraw/zinc/29/44/15/381294415.db2.gz RPUOLSHZOXMJPY-LBPRGKRZSA-N 1 0 340.384 -0.063 20 5 EBBDRO O=C(CC[NH2+]CCN1CCNC(=O)C1)Nc1ccccc1[N+](=O)[O-] ZINC000584346860 381473802 /nfs/dbraw/zinc/47/38/02/381473802.db2.gz IYMNFSNIQIJBHM-UHFFFAOYSA-N 1 0 335.364 -0.055 20 5 EBBDRO O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@@H]1CCC[NH2+]1 ZINC000261724521 154198060 /nfs/dbraw/zinc/19/80/60/154198060.db2.gz NTMVKZLSEHSNRG-JTQLQIEISA-N 1 0 342.377 -0.259 20 5 EBBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000262340477 154226434 /nfs/dbraw/zinc/22/64/34/154226434.db2.gz TTWPKBXKLVAFIZ-XHVZSJERSA-N 1 0 336.348 -0.590 20 5 EBBDRO C[C@@H]([NH3+])[C@H](C)C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000262529671 154236275 /nfs/dbraw/zinc/23/62/75/154236275.db2.gz MWYQKXJAOFZSTC-VHSXEESVSA-N 1 0 344.393 -0.027 20 5 EBBDRO COc1ccc(S(=O)(=O)N2CCO[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000262555966 154237054 /nfs/dbraw/zinc/23/70/54/154237054.db2.gz UFPZSNBDVRVGBV-VIFPVBQESA-N 1 0 331.350 -0.048 20 5 EBBDRO C[NH2+]C[C@H](C)C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000262617314 154239793 /nfs/dbraw/zinc/23/97/93/154239793.db2.gz DVOREMYNBOODRS-JTQLQIEISA-N 1 0 344.393 -0.155 20 5 EBBDRO Cc1c(C(=O)N(C)[C@@H]2CC[NH2+]C2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000269150005 154435643 /nfs/dbraw/zinc/43/56/43/154435643.db2.gz NWADDBQTZVINMZ-SECBINFHSA-N 1 0 342.377 -0.015 20 5 EBBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000274856435 154624712 /nfs/dbraw/zinc/62/47/12/154624712.db2.gz ZHBVNZSNDYGCAR-GWCFXTLKSA-N 1 0 336.348 -0.101 20 5 EBBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000289234513 154983599 /nfs/dbraw/zinc/98/35/99/154983599.db2.gz MIKXZEHFXURWOT-CYBMUJFWSA-N 1 0 336.396 -0.004 20 5 EBBDRO O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000516264434 419090793 /nfs/dbraw/zinc/09/07/93/419090793.db2.gz PEARPOCLJVSMBF-LBPRGKRZSA-N 1 0 348.359 -0.416 20 5 EBBDRO CN(C)S(=O)(=O)CC[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000517025870 419091448 /nfs/dbraw/zinc/09/14/48/419091448.db2.gz PXQNVFPIYJOCTQ-NSHDSACASA-N 1 0 347.393 -0.185 20 5 EBBDRO COC(=O)c1cc(C)nc(N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)c1[N+](=O)[O-] ZINC000520610845 419802893 /nfs/dbraw/zinc/80/28/93/419802893.db2.gz AWAKYNGZZDGLPI-MWLCHTKSSA-N 1 0 349.347 -0.167 20 5 EBBDRO O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])N[C@@H]1CCC[NH2+]C1 ZINC000422728172 420921060 /nfs/dbraw/zinc/92/10/60/420921060.db2.gz IUNPMWHRJJDJAL-SNVBAGLBSA-N 1 0 342.377 -0.259 20 5 EBBDRO CN1CC[NH2+]C[C@@H]1CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000420463882 420912007 /nfs/dbraw/zinc/91/20/07/420912007.db2.gz WVNDXUKXMPWOPS-CYBMUJFWSA-N 1 0 328.394 -0.082 20 5 EBBDRO CN1CC[NH2+]C[C@H]1CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000394098370 420937844 /nfs/dbraw/zinc/93/78/44/420937844.db2.gz YFRMMIRPSARHCR-ZDUSSCGKSA-N 1 0 328.394 -0.082 20 5 EBBDRO C[C@H](C[NH3+])NC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000417677003 264816253 /nfs/dbraw/zinc/81/62/53/264816253.db2.gz GXTRFYCKCSDFRU-SECBINFHSA-N 1 0 345.381 -0.481 20 5 EBBDRO [NH3+][C@@H](CNC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000423476575 265006861 /nfs/dbraw/zinc/00/68/61/265006861.db2.gz KNNVOJKUVSDCSN-JTQLQIEISA-N 1 0 342.377 -0.273 20 5 EBBDRO CN(CC(=O)N1CC[NH2+]CC1)C(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000428210965 265121560 /nfs/dbraw/zinc/12/15/60/265121560.db2.gz JZNXIJIGXWVIKT-UHFFFAOYSA-N 1 0 339.327 -0.180 20 5 EBBDRO CCn1cc(S(=O)(=O)N2CC[C@H](OC)C[C@H]2C[NH3+])c([N+](=O)[O-])n1 ZINC000440851566 265298043 /nfs/dbraw/zinc/29/80/43/265298043.db2.gz VSBBRCCNCQRZLW-UWVGGRQHSA-N 1 0 347.397 -0.062 20 5 EBBDRO O=C(Cn1cnc([N+](=O)[O-])n1)N1CC[C@H](OCC[NH+]2CCCC2)C1 ZINC000443865176 265356424 /nfs/dbraw/zinc/35/64/24/265356424.db2.gz APQGXBWCHHZOKR-LBPRGKRZSA-N 1 0 338.368 -0.100 20 5 EBBDRO CN1CC[NH2+]C[C@@H]1CNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000449700066 265394008 /nfs/dbraw/zinc/39/40/08/265394008.db2.gz QUFBSARPCKNBRL-CYBMUJFWSA-N 1 0 345.363 -0.191 20 5 EBBDRO C[C@H](NC(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+])c1ccccc1[N+](=O)[O-] ZINC000516856914 272888971 /nfs/dbraw/zinc/88/89/71/272888971.db2.gz LABKHXKJJYEWQR-NWDGAFQWSA-N 1 0 349.391 -0.127 20 5 EBBDRO CN1CC[N@H+](C)C[C@@H]1CNc1cccc(S(N)(=O)=O)c1[N+](=O)[O-] ZINC000273499483 277102349 /nfs/dbraw/zinc/10/23/49/277102349.db2.gz RKBMSNJDLYUBAK-JTQLQIEISA-N 1 0 343.409 -0.100 20 5 EBBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000818561877 583745550 /nfs/dbraw/zinc/74/55/50/583745550.db2.gz GMFIONSGPJFMEF-UHFFFAOYSA-N 1 0 335.364 -0.178 20 5 EBBDRO NC(=O)C1=NO[C@H](C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000819250589 583756350 /nfs/dbraw/zinc/75/63/50/583756350.db2.gz BRNDAMUIKSZXLS-JQWIXIFHSA-N 1 0 338.320 -0.446 20 5 EBBDRO NC(=O)C1=NO[C@H](C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000819250595 583756575 /nfs/dbraw/zinc/75/65/75/583756575.db2.gz BSPTYYRFRIDTDJ-ZJUUUORDSA-N 1 0 338.320 -0.446 20 5 EBBDRO [NH3+]C[C@@H]1CC(C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)=NO1 ZINC000852812091 584216392 /nfs/dbraw/zinc/21/63/92/584216392.db2.gz NYZJKOCZWHAPJV-NSHDSACASA-N 1 0 334.336 -0.258 20 5 EBBDRO COCC[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CCO2 ZINC000949091752 653594450 /nfs/dbraw/zinc/59/44/50/653594450.db2.gz DJIGKIWZBJKJCV-CHWSQXEVSA-N 1 0 327.381 -0.009 20 5 EBBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1C[C@@H](NC(=O)C2=COCCO2)C1 ZINC001021802986 729339578 /nfs/dbraw/zinc/33/95/78/729339578.db2.gz ZTOQCOOLVAEIHK-AOOOYVTPSA-N 1 0 337.336 -0.047 20 5 EBBDRO CC(=O)N1CC[C@H](C[N@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000246842983 803758961 /nfs/dbraw/zinc/75/89/61/803758961.db2.gz QLKNAFQFDDDJKD-TZMCWYRMSA-N 1 0 325.369 -0.048 20 5 EBBDRO C[C@H](CNC(=O)NCCn1cc([N+](=O)[O-])cn1)N1CC[NH+](C)CC1 ZINC001230194780 812086810 /nfs/dbraw/zinc/08/68/10/812086810.db2.gz HHCRESYMJQMWTA-GFCCVEGCSA-N 1 0 339.400 -0.274 20 5 EBBDRO CC(C)c1nc(C(N)=O)c(OC(=O)C[C@@H](O)C[N+](C)(C)C)c(=O)[nH]1 ZINC001234561849 812439058 /nfs/dbraw/zinc/43/90/58/812439058.db2.gz ODRRRSRMRBZOKC-SECBINFHSA-O 1 0 341.388 -0.233 20 5 EBBDRO O=C(NCC=CC[NH2+]Cc1cc(=O)n2nccc2[nH]1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001268543170 814283203 /nfs/dbraw/zinc/28/32/03/814283203.db2.gz UEKYOPFIQFMVGB-JZIZGNRHSA-N 1 0 346.347 -0.550 20 5 EBBDRO O=C(NC1(CNCc2nncs2)CCOCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001273969608 816826016 /nfs/dbraw/zinc/82/60/16/816826016.db2.gz VKNXOZLEKXSWPR-NXEZZACHSA-N 1 0 341.393 -0.042 20 5 EBBDRO CN(CCNc1ncc([N+](=O)[O-])c(N)n1)C(=O)COCC[NH+](C)C ZINC001101694448 820881090 /nfs/dbraw/zinc/88/10/90/820881090.db2.gz ZFKDSRCVJXYEPY-UHFFFAOYSA-N 1 0 341.372 -0.585 20 5 EBBDRO CN(CCNC(=O)C12CC[NH+](CC1)C2)Cc1c([N+](=O)[O-])ncn1C ZINC001317466566 822120491 /nfs/dbraw/zinc/12/04/91/822120491.db2.gz ANJYSAFXUVAGFG-UHFFFAOYSA-N 1 0 336.396 -0.028 20 5 EBBDRO C[NH+](C)CCC(=O)N1C[C@H]2CN(c3ncc([N+](=O)[O-])c(N)n3)C[C@H]2C1 ZINC001111306800 825050715 /nfs/dbraw/zinc/05/07/15/825050715.db2.gz WLVCDQUOFGRHDN-PHIMTYICSA-N 1 0 349.395 -0.187 20 5 EBBDRO C[NH+](C)CCC(=O)N(CCO)CCNc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC001111553902 825201581 /nfs/dbraw/zinc/20/15/81/825201581.db2.gz YOVSFRZLXHZQJQ-UHFFFAOYSA-N 1 0 341.368 -0.120 20 5 EBBDRO CC[NH+](CC)CCNC(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC001116969071 826658561 /nfs/dbraw/zinc/65/85/61/826658561.db2.gz KJCZFQLBDHKWCC-UHFFFAOYSA-N 1 0 326.357 -0.635 20 5 EBBDRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC001117087890 826684616 /nfs/dbraw/zinc/68/46/16/826684616.db2.gz GVPYPBRGHGDEMY-NSHDSACASA-N 1 0 340.384 -0.246 20 5 EBBDRO O=C(C[NH2+]CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])NCCc1cccs1 ZINC001126939245 828234945 /nfs/dbraw/zinc/23/49/45/828234945.db2.gz UCOWAHIQAMTROC-VXGBXAGGSA-N 1 0 340.405 -0.222 20 5 EBBDRO Cn1cnn(CCC(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)c1=O ZINC001131763011 829205667 /nfs/dbraw/zinc/20/56/67/829205667.db2.gz NGAHBDDORSAESU-UHFFFAOYSA-N 1 0 348.363 -0.214 20 5 EBBDRO O=C(CN1CCNC(=O)C1)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001132317542 829410943 /nfs/dbraw/zinc/41/09/43/829410943.db2.gz HYLAYIAGYAFOBC-UHFFFAOYSA-N 1 0 341.393 -0.706 20 5 EBBDRO C[C@H](NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)[C@H]1C[N@H+](C)CCN1C ZINC001136875037 830091137 /nfs/dbraw/zinc/09/11/37/830091137.db2.gz WQSUCIFEGFHFRU-NWDGAFQWSA-N 1 0 337.380 -0.493 20 5 EBBDRO CN(C)S(=O)(=O)CC(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001149427940 830663166 /nfs/dbraw/zinc/66/31/66/830663166.db2.gz SSHSSOAWSOJNSB-UHFFFAOYSA-N 1 0 344.393 -0.308 20 5 EBBDRO NC(=O)Cn1cc(C(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)nn1 ZINC001152409158 831159582 /nfs/dbraw/zinc/15/95/82/831159582.db2.gz BTCYAACIUSDZOK-UHFFFAOYSA-N 1 0 347.335 -0.809 20 5 EBBDRO Cn1cc(CC(=O)NCCC[NH2+]Cc2c([N+](=O)[O-])ncn2C)cn1 ZINC001155557034 831412533 /nfs/dbraw/zinc/41/25/33/831412533.db2.gz DAHZXUPHVTZPNS-UHFFFAOYSA-N 1 0 335.368 -0.100 20 5 EBBDRO CN1C[C@H](Nc2ncnc(N3CC[NH2+]CC3)c2[N+](=O)[O-])CCC1=O ZINC001156562250 831481472 /nfs/dbraw/zinc/48/14/72/831481472.db2.gz IJXNVYINRGXDCE-SNVBAGLBSA-N 1 0 335.368 -0.173 20 5 EBBDRO COC(=O)[C@H]1CN(C)CCN1c1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1 ZINC001157781338 831593197 /nfs/dbraw/zinc/59/31/97/831593197.db2.gz SECRABBAOJZUQU-LLVKDONJSA-N 1 0 336.352 -0.635 20 5 EBBDRO O=C1C[C@H](Nc2ncnc(N3CC[NH2+]CC3)c2[N+](=O)[O-])CCCN1 ZINC001162447458 832045005 /nfs/dbraw/zinc/04/50/05/832045005.db2.gz FXACZHILGFBCCI-SNVBAGLBSA-N 1 0 335.368 -0.125 20 5 EBBDRO CC1(C)C(=O)NC[C@H]1Nc1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001163008822 832075656 /nfs/dbraw/zinc/07/56/56/832075656.db2.gz NKMHMGASKXNKJW-SECBINFHSA-N 1 0 335.368 -0.269 20 5 EBBDRO CN1CCN(C)CC[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC001351735925 832275521 /nfs/dbraw/zinc/27/55/21/832275521.db2.gz VMQXEVZUFMAERT-AWEZNQCLSA-N 1 0 326.401 -0.669 20 5 EBBDRO C[N@H+](CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1N)CCOCCO ZINC001175823717 832646638 /nfs/dbraw/zinc/64/66/38/832646638.db2.gz YIKRZGBOQVIPCG-UHFFFAOYSA-N 1 0 344.343 -0.013 20 5 EBBDRO NS(=O)(=O)c1cccc(N2CC([NH2+][C@@H]3CCOC3)C2)c1[N+](=O)[O-] ZINC001187740080 833962993 /nfs/dbraw/zinc/96/29/93/833962993.db2.gz WTXIIXKAPHJRFS-SECBINFHSA-N 1 0 342.377 -0.191 20 5 EBBDRO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC001325571442 839891166 /nfs/dbraw/zinc/89/11/66/839891166.db2.gz SLOXDCKTMFBCRB-LLVKDONJSA-N 1 0 340.384 -0.246 20 5 EBBDRO O=C1CCC(=O)N1CCC[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001325840995 839954285 /nfs/dbraw/zinc/95/42/85/839954285.db2.gz SFVYQDBUZPCRNS-LLVKDONJSA-N 1 0 325.325 -0.719 20 5 EBBDRO O=C1CCC(=O)N1CCC[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001325840996 839954396 /nfs/dbraw/zinc/95/43/96/839954396.db2.gz SFVYQDBUZPCRNS-NSHDSACASA-N 1 0 325.325 -0.719 20 5 EBBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCN(CCO)C(=O)c1ccncc1 ZINC001325955824 839984854 /nfs/dbraw/zinc/98/48/54/839984854.db2.gz BSPUWWXCOWBWFO-UHFFFAOYSA-N 1 0 348.363 -0.052 20 5 EBBDRO Cn1cc(C(=O)N(CCO)CC[NH2+]Cc2ccc([N+](=O)[O-])cc2)nn1 ZINC001326020495 840004524 /nfs/dbraw/zinc/00/45/24/840004524.db2.gz CBHFJHXFYHYAAL-UHFFFAOYSA-N 1 0 348.363 -0.052 20 5 EBBDRO O=C(c1nc[nH]n1)N(CCO)CC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001326107585 840035127 /nfs/dbraw/zinc/03/51/27/840035127.db2.gz NSLHENTVKBXPLM-UHFFFAOYSA-N 1 0 334.336 -0.063 20 5 EBBDRO C[NH+]1CCN(C2CN(C(=O)Cn3cc([N+](=O)[O-])ccc3=O)C2)CC1 ZINC001326787446 840199883 /nfs/dbraw/zinc/19/98/83/840199883.db2.gz OXFDCDVCBDRGBN-UHFFFAOYSA-N 1 0 335.364 -0.785 20 5 EBBDRO COC(=O)C[C@H]([NH3+])C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC001326817162 840208660 /nfs/dbraw/zinc/20/86/60/840208660.db2.gz QXZHAZBXQVPAOE-JTQLQIEISA-N 1 0 325.325 -0.155 20 5 EBBDRO C[NH+]1CCN(C2CN(C(=O)C(C)(C)n3cc([N+](=O)[O-])cn3)C2)CC1 ZINC001334138881 842000815 /nfs/dbraw/zinc/00/08/15/842000815.db2.gz INFYYUTYFIDARE-UHFFFAOYSA-N 1 0 336.396 -0.015 20 5 EBBDRO C[NH+]1CCN(C(C)(C)CNC(=O)Cn2cnc([N+](=O)[O-])n2)CC1 ZINC001339082770 842892130 /nfs/dbraw/zinc/89/21/30/842892130.db2.gz MRIXZPBVJSSKRM-UHFFFAOYSA-N 1 0 325.373 -0.672 20 5 EBBDRO O=C(N[C@H]1CC[NH2+]C1)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000577867991 375910884 /nfs/dbraw/zinc/91/08/84/375910884.db2.gz LFVIWEBXMLSCSX-NSHDSACASA-N 1 0 348.363 -0.884 20 5 EBBDRO O=C1NC(=O)[C@@H]2C[N@H+]([C@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)C[C@H]12 ZINC000451638393 376604586 /nfs/dbraw/zinc/60/45/86/376604586.db2.gz ZHZBAUXKELYSJF-XQQFMLRXSA-N 1 0 344.327 -0.096 20 5 EBBDRO Cn1cc(N2CC[C@H]([NH2+]C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2=O)cn1 ZINC000562996415 377069499 /nfs/dbraw/zinc/06/94/99/377069499.db2.gz PWLSOMICFVNPQW-STQMWFEESA-N 1 0 349.351 -0.719 20 5 EBBDRO CC1(C)C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCN1CCO ZINC000614920067 377165128 /nfs/dbraw/zinc/16/51/28/377165128.db2.gz CQIUZPMUAAJBOV-ZDUSSCGKSA-N 1 0 327.385 -0.459 20 5 EBBDRO O=C1CNC(=O)N1CC[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000570795491 377281101 /nfs/dbraw/zinc/28/11/01/377281101.db2.gz VNOVYKGEDZJGOQ-LLVKDONJSA-N 1 0 338.320 -0.524 20 5 EBBDRO C[NH+](C)C[C@H](CO)NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000590369415 377479847 /nfs/dbraw/zinc/47/98/47/377479847.db2.gz FNTTZXLPVZHQNM-GFCCVEGCSA-N 1 0 338.364 -0.247 20 5 EBBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC[C@H](N3CCOCC3)C2)c1 ZINC000566425562 377531449 /nfs/dbraw/zinc/53/14/49/377531449.db2.gz FBXSHMAHKCPAHA-ZFWWWQNUSA-N 1 0 339.396 -0.051 20 5 EBBDRO C[C@H](C[NH3+])NC(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000274413831 377574957 /nfs/dbraw/zinc/57/49/57/377574957.db2.gz JLLQANMWPOZLBY-MRVPVSSYSA-N 1 0 345.381 -0.492 20 5 EBBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@H]2CCCCS2(=O)=O)c1 ZINC000566674215 377600515 /nfs/dbraw/zinc/60/05/15/377600515.db2.gz FNDIDEIZUQDZEB-VXGBXAGGSA-N 1 0 332.382 -0.291 20 5 EBBDRO O=C(C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])N1CCOCC1 ZINC000591758650 377752540 /nfs/dbraw/zinc/75/25/40/377752540.db2.gz GWZKFCIPQDMYIB-GFCCVEGCSA-N 1 0 339.348 -0.217 20 5 EBBDRO C[C@@H](C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)CN1CCOCC1 ZINC000591743617 377754809 /nfs/dbraw/zinc/75/48/09/377754809.db2.gz PVOBOSRBYSBBDK-JSGCOSHPSA-N 1 0 327.385 -0.290 20 5 EBBDRO C[C@@H](C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)CN1CCOCC1 ZINC000591743616 377755265 /nfs/dbraw/zinc/75/52/65/377755265.db2.gz PVOBOSRBYSBBDK-GXTWGEPZSA-N 1 0 327.385 -0.290 20 5 EBBDRO COC(=O)[C@H]1C[C@H](O)C[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000592195136 377802321 /nfs/dbraw/zinc/80/23/21/377802321.db2.gz JIWWVNGWOXGMAC-JQWIXIFHSA-N 1 0 325.321 -0.388 20 5 EBBDRO COC(=O)[C@@H]1C[C@@H](O)C[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000592195139 377802675 /nfs/dbraw/zinc/80/26/75/377802675.db2.gz JIWWVNGWOXGMAC-ZYHUDNBSSA-N 1 0 325.321 -0.388 20 5 EBBDRO C[NH+](C)CCN1CCN(C(=O)Nc2ccncc2[N+](=O)[O-])CC1=O ZINC000593175451 377875504 /nfs/dbraw/zinc/87/55/04/377875504.db2.gz PQYVBWXZDQWQEZ-UHFFFAOYSA-N 1 0 336.352 -0.351 20 5 EBBDRO COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000592551744 377842327 /nfs/dbraw/zinc/84/23/27/377842327.db2.gz LIQRIZZHDRCWTK-NSHDSACASA-N 1 0 338.320 -0.880 20 5 EBBDRO C[NH+](C)CCN1CCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC1=O ZINC000593783634 377914422 /nfs/dbraw/zinc/91/44/22/377914422.db2.gz BVKMGGFUCGCXHF-UHFFFAOYSA-N 1 0 337.336 -0.459 20 5 EBBDRO [NH3+][C@H]1C[C@@H]2CN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CCN2C1=O ZINC000594876031 377965862 /nfs/dbraw/zinc/96/58/62/377965862.db2.gz ZTMGSWYBVFLXQA-PWSUYJOCSA-N 1 0 340.361 -0.473 20 5 EBBDRO [NH3+]CCN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C[C@@H](O)CO ZINC000595902267 378035315 /nfs/dbraw/zinc/03/53/15/378035315.db2.gz QGCOHHLVXMLQMQ-SNVBAGLBSA-N 1 0 346.771 -0.199 20 5 EBBDRO C[C@@H]1C[N@H+](CCO)CCN1c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000596265235 378056669 /nfs/dbraw/zinc/05/66/69/378056669.db2.gz HQEQTAMDAXGBDJ-SNVBAGLBSA-N 1 0 344.393 -0.255 20 5 EBBDRO C[C@H]1C[N@H+](CCO)CCN1c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000596265234 378057195 /nfs/dbraw/zinc/05/71/95/378057195.db2.gz HQEQTAMDAXGBDJ-JTQLQIEISA-N 1 0 344.393 -0.255 20 5 EBBDRO O=C(CNC(=O)Nc1cccc([N+](=O)[O-])c1)NC[C@@H]1C[NH2+]CCO1 ZINC000598667575 378178601 /nfs/dbraw/zinc/17/86/01/378178601.db2.gz GAMAJCCHOXVDQI-LBPRGKRZSA-N 1 0 337.336 -0.179 20 5 EBBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@@H](CO)CN2CCCCC2)c1 ZINC000567872758 378265437 /nfs/dbraw/zinc/26/54/37/378265437.db2.gz GETHJUNYWSZPNC-OCCSQVGLSA-N 1 0 327.385 -0.411 20 5 EBBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@H]2CCCN(CCCO)C2)c1 ZINC000567899327 378272043 /nfs/dbraw/zinc/27/20/43/378272043.db2.gz YBJIGLKSJUUXHC-JSGCOSHPSA-N 1 0 327.385 -0.411 20 5 EBBDRO O=C(c1cc([N+](=O)[O-])n[nH]1)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000567835291 378254249 /nfs/dbraw/zinc/25/42/49/378254249.db2.gz HBCHMDVWHIRPQV-SNVBAGLBSA-N 1 0 336.352 -0.398 20 5 EBBDRO O=[N+]([O-])c1ncccc1S(=O)(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000569693698 378501499 /nfs/dbraw/zinc/50/14/99/378501499.db2.gz YENXKEQILVHRSL-LLVKDONJSA-N 1 0 341.393 -0.342 20 5 EBBDRO CN(C(=O)CN1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000570412255 378509535 /nfs/dbraw/zinc/50/95/35/378509535.db2.gz WYXCQIMHNMPNKT-ZIAGYGMSSA-N 1 0 347.375 -0.199 20 5 EBBDRO [NH3+][C@@H]1C[C@H]2CN(C(=O)c3n[nH]c4ccc([N+](=O)[O-])cc43)CCN2C1=O ZINC000571106804 378548802 /nfs/dbraw/zinc/54/88/02/378548802.db2.gz QVMNJIRTOZSVOI-GXSJLCMTSA-N 1 0 344.331 -0.145 20 5 EBBDRO C[C@H](C[NH3+])NC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000274480778 378917206 /nfs/dbraw/zinc/91/72/06/378917206.db2.gz ZYDZGUBVKYSOFC-SECBINFHSA-N 1 0 330.366 -0.321 20 5 EBBDRO O=C(NC1CC1)N[C@@H]1CC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000274064882 379242280 /nfs/dbraw/zinc/24/22/80/379242280.db2.gz UHJPGHNDPMAYBC-DGCLKSJQSA-N 1 0 338.368 -0.312 20 5 EBBDRO COc1ccc(NC(=O)CC[NH+]2C[C@H](O)[C@@H](O)C2)c([N+](=O)[O-])c1 ZINC000278674558 379497588 /nfs/dbraw/zinc/49/75/88/379497588.db2.gz IJSGQCGBDWEFKQ-STQMWFEESA-N 1 0 325.321 -0.031 20 5 EBBDRO CC[C@@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C(=O)N1CCOCC1 ZINC000574270644 379454497 /nfs/dbraw/zinc/45/44/97/379454497.db2.gz GFBFZGFGDULNPR-CHWSQXEVSA-N 1 0 341.368 -0.621 20 5 EBBDRO NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000351252404 379597611 /nfs/dbraw/zinc/59/76/11/379597611.db2.gz KCTLTAPTHXIDEH-LLVKDONJSA-N 1 0 336.352 -0.358 20 5 EBBDRO O=C(NCC[N@H+]1CC[C@@H](O)C1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000600534480 379653243 /nfs/dbraw/zinc/65/32/43/379653243.db2.gz NVBZKTKGGCVQEF-CYBMUJFWSA-N 1 0 346.347 -0.028 20 5 EBBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]CCN1CC[C@H](O)C1 ZINC000600759226 379657615 /nfs/dbraw/zinc/65/76/15/379657615.db2.gz FTEWPQXCEBFYHK-QWHCGFSZSA-N 1 0 325.365 -0.009 20 5 EBBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)C[C@@H](O)CN1CCOCC1 ZINC000602778243 379681022 /nfs/dbraw/zinc/68/10/22/379681022.db2.gz GWFJTKPUEMFWDA-CYBMUJFWSA-N 1 0 327.385 -0.275 20 5 EBBDRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000355338295 379718225 /nfs/dbraw/zinc/71/82/25/379718225.db2.gz RMIQTVUKRXNUSY-LLVKDONJSA-N 1 0 326.357 -0.245 20 5 EBBDRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000548941319 379749822 /nfs/dbraw/zinc/74/98/22/379749822.db2.gz JWHZYSILGSIYSV-NSHDSACASA-N 1 0 338.368 -0.010 20 5 EBBDRO CC[C@H]([NH3+])C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000269056770 380214345 /nfs/dbraw/zinc/21/43/45/380214345.db2.gz HBKHFVSVUXGLMG-VIFPVBQESA-N 1 0 330.366 -0.273 20 5 EBBDRO NS(=O)(=O)c1ccc(NCCC(=O)NCC[NH3+])c([N+](=O)[O-])c1 ZINC000269114501 380221082 /nfs/dbraw/zinc/22/10/82/380221082.db2.gz MRQGRIWNNOPMPA-UHFFFAOYSA-N 1 0 331.354 -0.881 20 5 EBBDRO Cc1c(C(=O)N(C)[C@@H](C)C[NH3+])cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000269180961 380239063 /nfs/dbraw/zinc/23/90/63/380239063.db2.gz DHYXVUWESFTEOS-ZETCQYMHSA-N 1 0 330.366 -0.030 20 5 EBBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H](C)C(=O)NCC[NH+](C)C ZINC000579397486 380986899 /nfs/dbraw/zinc/98/68/99/380986899.db2.gz SGCJVABXFXKVGC-SECBINFHSA-N 1 0 326.357 -0.718 20 5 EBBDRO [NH3+][C@H]1C[C@H]2CN(C(=O)CNc3ccccc3[N+](=O)[O-])CCN2C1=O ZINC000582976373 381090735 /nfs/dbraw/zinc/09/07/35/381090735.db2.gz WXTJBQOTOOZKJB-QWRGUYRKSA-N 1 0 333.348 -0.223 20 5 EBBDRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(c2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000151623087 381463972 /nfs/dbraw/zinc/46/39/72/381463972.db2.gz DLRNJPAECHUMDN-SNVBAGLBSA-N 1 0 335.368 -0.290 20 5 EBBDRO CCNC(=O)CN1CCCN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])CC1 ZINC000299556269 155160953 /nfs/dbraw/zinc/16/09/53/155160953.db2.gz KISSAOHGRKQFQN-UHFFFAOYSA-N 1 0 338.368 -0.090 20 5 EBBDRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000330644189 155295965 /nfs/dbraw/zinc/29/59/65/155295965.db2.gz HGRPIQJEWLZNPO-GFCCVEGCSA-N 1 0 337.380 -0.491 20 5 EBBDRO C[C@@H]([NH3+])C(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000261877710 154203683 /nfs/dbraw/zinc/20/36/83/154203683.db2.gz RIZKOCYPIIUELT-SNVBAGLBSA-N 1 0 342.377 -0.225 20 5 EBBDRO Cc1c(C(=O)N2CC[NH2+]C[C@H]2C)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000262014716 154208631 /nfs/dbraw/zinc/20/86/31/154208631.db2.gz KKOCUNCVXNYVID-MRVPVSSYSA-N 1 0 342.377 -0.015 20 5 EBBDRO COC[C@@H]([NH3+])C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000262351330 154226327 /nfs/dbraw/zinc/22/63/27/154226327.db2.gz UOCAQFXUVVYDDC-CYBMUJFWSA-N 1 0 336.348 -0.147 20 5 EBBDRO C[NH2+]CCCNC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000262757144 154245923 /nfs/dbraw/zinc/24/59/23/154245923.db2.gz PIIJUOGCARGCCQ-UHFFFAOYSA-N 1 0 344.393 -0.059 20 5 EBBDRO C[C@H](CC(N)=O)[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000267284637 154369968 /nfs/dbraw/zinc/36/99/68/154369968.db2.gz WFGNXGOKWMGNFJ-SECBINFHSA-N 1 0 330.366 -0.273 20 5 EBBDRO C[NH+](C)C1CN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1 ZINC000342135475 156012687 /nfs/dbraw/zinc/01/26/87/156012687.db2.gz LNLPYOYPOWQSMX-UHFFFAOYSA-N 1 0 332.316 -0.037 20 5 EBBDRO COc1cccc(C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)c1[N+](=O)[O-] ZINC000516089614 419088883 /nfs/dbraw/zinc/08/88/83/419088883.db2.gz UTNJWNRNHFUDID-GXSJLCMTSA-N 1 0 334.332 -0.013 20 5 EBBDRO C[C@@H]1CN(C[C@H](O)C[NH2+]CCn2cc([N+](=O)[O-])cn2)C[C@H](C)O1 ZINC000516965829 419089936 /nfs/dbraw/zinc/08/99/36/419089936.db2.gz NUYDAOHYSXILPZ-MBNYWOFBSA-N 1 0 327.385 -0.149 20 5 EBBDRO C[C@H](NC(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+])c1ccccc1[N+](=O)[O-] ZINC000516856916 419090463 /nfs/dbraw/zinc/09/04/63/419090463.db2.gz LABKHXKJJYEWQR-RYUDHWBXSA-N 1 0 349.391 -0.127 20 5 EBBDRO Nc1c(C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cc(F)cc1[N+](=O)[O-] ZINC000516982166 419091598 /nfs/dbraw/zinc/09/15/98/419091598.db2.gz WNOGBKRXDLVZEX-WCBMZHEXSA-N 1 0 337.311 -0.300 20 5 EBBDRO COC(=O)[C@@H]1CN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC[N@H+](C)C1 ZINC000413920225 419320346 /nfs/dbraw/zinc/32/03/46/419320346.db2.gz NDALXILMRGBKPJ-JTQLQIEISA-N 1 0 325.325 -0.646 20 5 EBBDRO COC(=O)[C@@H]1CN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC[N@H+](C)C1 ZINC000413928740 419320695 /nfs/dbraw/zinc/32/06/95/419320695.db2.gz ZCPVZUMEUHSALP-JTQLQIEISA-N 1 0 325.325 -0.646 20 5 EBBDRO C[C@@H](CO)[N@@H+]1CCCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000346613253 419724433 /nfs/dbraw/zinc/72/44/33/419724433.db2.gz GYHFOIWEMHTXIS-JSGCOSHPSA-N 1 0 327.385 -0.459 20 5 EBBDRO COC(=O)c1cc(C)nc(N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)c1[N+](=O)[O-] ZINC000520610843 419802774 /nfs/dbraw/zinc/80/27/74/419802774.db2.gz AWAKYNGZZDGLPI-GXSJLCMTSA-N 1 0 349.347 -0.167 20 5 EBBDRO C[C@H](C[NH3+])NC(=O)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000420016406 420908147 /nfs/dbraw/zinc/90/81/47/420908147.db2.gz SLSBSNLJQYBVES-LLVKDONJSA-N 1 0 335.364 -0.293 20 5 EBBDRO CNc1nccc(C(=O)NC[C@@](C)(O)CC[NH+](C)C)c1[N+](=O)[O-] ZINC000577231498 421220947 /nfs/dbraw/zinc/22/09/47/421220947.db2.gz LZLIWQJAJGNMCV-AWEZNQCLSA-N 1 0 325.369 0.464 20 5 EBBDRO O=C(NC[C@@H]1CC[NH2+]C1)C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000419917588 264906002 /nfs/dbraw/zinc/90/60/02/264906002.db2.gz HIFNJYBFCGPSED-LLVKDONJSA-N 1 0 348.359 -0.090 20 5 EBBDRO [NH3+][C@H]1CCN(C(=O)C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000423578784 265014684 /nfs/dbraw/zinc/01/46/84/265014684.db2.gz MMDOCUYTJQDCEA-JTQLQIEISA-N 1 0 334.332 -0.256 20 5 EBBDRO [NH3+]C[C@@H]1CCN(C(=O)C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000423583006 265014914 /nfs/dbraw/zinc/01/49/14/265014914.db2.gz YMLMIINTGMVSRE-NSHDSACASA-N 1 0 348.359 -0.008 20 5 EBBDRO CN(CC[NH3+])C(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000424013489 265047118 /nfs/dbraw/zinc/04/71/18/265047118.db2.gz WYEZRGNZQUXEFH-UHFFFAOYSA-N 1 0 330.366 -0.320 20 5 EBBDRO CC1(C)OCC(CO)([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CO1 ZINC000788000831 583526269 /nfs/dbraw/zinc/52/62/69/583526269.db2.gz VQRGROZJWLALNI-NSHDSACASA-N 1 0 330.341 -0.744 20 5 EBBDRO Cn1cc(CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)c(=O)n(C)c1=O ZINC000809734389 583680244 /nfs/dbraw/zinc/68/02/44/583680244.db2.gz CJWJHZPLLBLJHH-UHFFFAOYSA-N 1 0 333.348 -0.043 20 5 EBBDRO C[NH+](C)CCCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000840383862 583757424 /nfs/dbraw/zinc/75/74/24/583757424.db2.gz ACIMUHJUWWGQDK-IJLUTSLNSA-N 1 0 333.410 -0.381 20 5 EBBDRO 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336.352 -0.692 20 5 EBBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC001331619211 841440862 /nfs/dbraw/zinc/44/08/62/841440862.db2.gz BMKRXNVIXWNPKM-GFCCVEGCSA-N 1 0 336.348 -0.342 20 5 EBBDRO C[NH2+]CCOCCNC(=O)C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC001335278762 842248152 /nfs/dbraw/zinc/24/81/52/842248152.db2.gz QZESSHLIBXXZNW-UHFFFAOYSA-N 1 0 338.364 -0.095 20 5 EBBDRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(C(=O)c2c[nH]nc2[N+](=O)[O-])CC1 ZINC001340016214 842963722 /nfs/dbraw/zinc/96/37/22/842963722.db2.gz MFBSVDWESYLLFN-NSHDSACASA-N 1 0 336.352 -0.128 20 5 EBBDRO CC[N@H+](C)CCC(=O)NCCN(C)c1ncc([N+](=O)[O-])c(N)n1 ZINC001487405052 1127491557 /nfs/dbraw/zinc/49/15/57/1127491557.db2.gz HSYITWQFELHQAK-UHFFFAOYSA-N 1 0 325.373 -0.139 20 5 EBBDRO CC(C)[N@H+](C)CC(=O)N1CCN(c2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC001093157455 1128298158 /nfs/dbraw/zinc/29/81/58/1128298158.db2.gz GJGKOZSCBYDRQF-UHFFFAOYSA-N 1 0 337.384 -0.044 20 5 EBBDRO CN(CCC(=O)NCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1cc[nH+]cc1 ZINC001491282700 1130383241 /nfs/dbraw/zinc/38/32/41/1130383241.db2.gz KIWJCPKYIDHLDY-CHWSQXEVSA-N 1 0 335.364 -0.195 20 5 EBBDRO COCC[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cc(C(=O)OC)c1=O ZINC000577527732 375874557 /nfs/dbraw/zinc/87/45/57/375874557.db2.gz ASFHZQZBFOJZJN-NSHDSACASA-N 1 0 343.336 -0.518 20 5 EBBDRO COCC[N@@H+]1CCC[C@H](NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000609269562 375975641 /nfs/dbraw/zinc/97/56/41/375975641.db2.gz UBYHUMCDHDMGRL-LBPRGKRZSA-N 1 0 338.364 -0.017 20 5 EBBDRO COc1ccc(OCC[N@@H+]2CC[C@](O)(C(N)=O)C2)c([N+](=O)[O-])c1 ZINC000285241940 376349836 /nfs/dbraw/zinc/34/98/36/376349836.db2.gz YPWPYKNIJATZET-CQSZACIVSA-N 1 0 325.321 -0.096 20 5 EBBDRO C[C@@H](C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000610560065 376295943 /nfs/dbraw/zinc/29/59/43/376295943.db2.gz WMALZAZCNDGNMP-JTQLQIEISA-N 1 0 344.393 -0.061 20 5 EBBDRO CC[N@@H+]1CC[C@H]2OCCN(C[C@H](O)Cn3cc([N+](=O)[O-])cn3)[C@H]2C1 ZINC000550225708 376540017 /nfs/dbraw/zinc/54/00/17/376540017.db2.gz MFYNYCXZMMOIBH-SOUVJXGZSA-N 1 0 339.396 -0.053 20 5 EBBDRO CC(C)NC(=O)OC1CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000288777423 376654742 /nfs/dbraw/zinc/65/47/42/376654742.db2.gz ADUPTDDXZDIZDO-NSHDSACASA-N 1 0 327.341 -0.029 20 5 EBBDRO CS(=O)(=O)NCC[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000340215705 376700695 /nfs/dbraw/zinc/70/06/95/376700695.db2.gz YHGJUQAIVYBULT-GFCCVEGCSA-N 1 0 347.397 -0.834 20 5 EBBDRO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@@H](CO)C[NH+](C)C ZINC000590369794 377479188 /nfs/dbraw/zinc/47/91/88/377479188.db2.gz NLWVCGXYHSIBHK-GHMZBOCLSA-N 1 0 342.400 -0.134 20 5 EBBDRO C[C@H]([NH3+])CNC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000591347907 377709940 /nfs/dbraw/zinc/70/99/40/377709940.db2.gz YGZXREKFBUFUSK-VIFPVBQESA-N 1 0 345.381 -0.481 20 5 EBBDRO CS(=O)(=O)c1cc(C(=O)NC[C@@H]2C[NH2+]CCO2)cc([N+](=O)[O-])c1 ZINC000591687464 377749110 /nfs/dbraw/zinc/74/91/10/377749110.db2.gz JSLQQISUPBXHBV-NSHDSACASA-N 1 0 343.361 -0.284 20 5 EBBDRO Cc1cc(S(=O)(=O)NCC(=O)N2CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC000592365867 377826480 /nfs/dbraw/zinc/82/64/80/377826480.db2.gz BRYQYLZKAHORRM-UHFFFAOYSA-N 1 0 342.377 -0.387 20 5 EBBDRO C[NH+](C)CCN1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1=O ZINC000593049476 377868203 /nfs/dbraw/zinc/86/82/03/377868203.db2.gz AICLBNUBCCUMPT-UHFFFAOYSA-N 1 0 349.391 -0.101 20 5 EBBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000593235778 377877694 /nfs/dbraw/zinc/87/76/94/377877694.db2.gz YWOZXFYIHCOPMF-UHFFFAOYSA-N 1 0 338.368 -0.668 20 5 EBBDRO C[NH+](C)CCN1CCN(c2cc(N)c([N+](=O)[O-])c(CO)c2)CC1=O ZINC000593485993 377889164 /nfs/dbraw/zinc/88/91/64/377889164.db2.gz FWNSWSJQHXDNTJ-UHFFFAOYSA-N 1 0 337.380 -0.121 20 5 EBBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CCC[NH2+]C[C@@H]2C(=O)OC)n1 ZINC000592556808 377844680 /nfs/dbraw/zinc/84/46/80/377844680.db2.gz UQAHJCHLAUESKN-SECBINFHSA-N 1 0 325.325 -0.212 20 5 EBBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CCC[NH2+]C[C@H]2C(=O)OC)n1 ZINC000592556809 377845070 /nfs/dbraw/zinc/84/50/70/377845070.db2.gz UQAHJCHLAUESKN-VIFPVBQESA-N 1 0 325.325 -0.212 20 5 EBBDRO [NH3+]CCN(CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C[C@H](O)CO ZINC000595901816 378034471 /nfs/dbraw/zinc/03/44/71/378034471.db2.gz JTNITJQNWRUTBE-ZDUSSCGKSA-N 1 0 338.364 -0.902 20 5 EBBDRO [NH3+]CCN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C[C@H](O)CO ZINC000595901151 378034707 /nfs/dbraw/zinc/03/47/07/378034707.db2.gz BPAGTTDPCVGKKS-ZDUSSCGKSA-N 1 0 326.353 -0.463 20 5 EBBDRO CC[C@H]([NH2+]C)C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000595924430 378035284 /nfs/dbraw/zinc/03/52/84/378035284.db2.gz JQPXGMQXOWGJRI-JTQLQIEISA-N 1 0 344.393 -0.013 20 5 EBBDRO C[NH2+]C[C@H](C)NC(=O)c1cc(S(N)(=O)=O)cc([N+](=O)[O-])c1C ZINC000595984595 378046859 /nfs/dbraw/zinc/04/68/59/378046859.db2.gz WQELCUJWRGJYJN-ZETCQYMHSA-N 1 0 330.366 -0.112 20 5 EBBDRO CN(C)C(=O)CN(CC[NH+](C)C)c1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000596461278 378060421 /nfs/dbraw/zinc/06/04/21/378060421.db2.gz DSRLZVIARWHMQX-UHFFFAOYSA-N 1 0 338.368 -0.455 20 5 EBBDRO C[NH+](C)C[C@@H](CO)NC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598902056 378187324 /nfs/dbraw/zinc/18/73/24/378187324.db2.gz CXEUVBHVOMBFDC-NSHDSACASA-N 1 0 339.352 -0.245 20 5 EBBDRO CC[C@H](CO)N1CCN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CC1 ZINC000599250835 378213484 /nfs/dbraw/zinc/21/34/84/378213484.db2.gz RJSANTIWDRKIJC-SNVBAGLBSA-N 1 0 347.397 -0.595 20 5 EBBDRO CCO[C@@H](CC[NH+](C)C)C[N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599256202 378214579 /nfs/dbraw/zinc/21/45/79/378214579.db2.gz WMGPNVJTROQTQD-JTQLQIEISA-N 1 0 349.413 -0.037 20 5 EBBDRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000598184601 378158657 /nfs/dbraw/zinc/15/86/57/378158657.db2.gz FFIYPQJVPHWYFT-UHFFFAOYSA-N 1 0 326.357 -0.730 20 5 EBBDRO Cc1cc(C(=O)NCC(=O)N2CCN(C)C[C@@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000570716387 378513318 /nfs/dbraw/zinc/51/33/18/378513318.db2.gz IOABPXQEGIXJDP-ZDUSSCGKSA-N 1 0 349.391 -0.266 20 5 EBBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000571179953 378549273 /nfs/dbraw/zinc/54/92/73/378549273.db2.gz ZIENDJWDHJZQKZ-PWSUYJOCSA-N 1 0 334.332 -0.013 20 5 EBBDRO O=C1CN(CC[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCN1 ZINC000571517146 378552937 /nfs/dbraw/zinc/55/29/37/378552937.db2.gz GYYIDYDDBBJNRF-ZDUSSCGKSA-N 1 0 338.364 -0.644 20 5 EBBDRO CN1CCN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)[C@H](C[NH3+])C1 ZINC000571796547 378557837 /nfs/dbraw/zinc/55/78/37/378557837.db2.gz BBLNRSIUWVFOPA-CQSZACIVSA-N 1 0 349.391 -0.184 20 5 EBBDRO CS(=O)(=O)N1CCC[C@@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000400167695 379185976 /nfs/dbraw/zinc/18/59/76/379185976.db2.gz ZEKNWKCOJVXTBE-PWSUYJOCSA-N 1 0 347.397 -0.834 20 5 EBBDRO O=C(NC1CC1)N[C@H]1CC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000274064879 379240530 /nfs/dbraw/zinc/24/05/30/379240530.db2.gz UHJPGHNDPMAYBC-AAEUAGOBSA-N 1 0 338.368 -0.312 20 5 EBBDRO C[C@@H]1C[NH+](CCCNC(=O)Cn2cnc([N+](=O)[O-])n2)C[C@@H](C)O1 ZINC000077250428 379326988 /nfs/dbraw/zinc/32/69/88/379326988.db2.gz XMYXQZNJROIMGX-GHMZBOCLSA-N 1 0 326.357 -0.198 20 5 EBBDRO O=[N+]([O-])c1cccc(CS(=O)(=O)NCCN2CC[NH2+]CC2)c1 ZINC000130940983 379327518 /nfs/dbraw/zinc/32/75/18/379327518.db2.gz NBECBXYRZUFNCM-UHFFFAOYSA-N 1 0 328.394 -0.081 20 5 EBBDRO C[C@@H](NC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1)c1cccc([N+](=O)[O-])c1 ZINC000418764430 379334285 /nfs/dbraw/zinc/33/42/85/379334285.db2.gz AJKJCAULZPCLCF-MFKMUULPSA-N 1 0 336.348 -0.042 20 5 EBBDRO COc1cc(S(=O)(=O)NC[C@@H]2C[NH2+]CCO2)ccc1[N+](=O)[O-] ZINC000420481486 379354080 /nfs/dbraw/zinc/35/40/80/379354080.db2.gz RDTJHPZYJSFEKL-VIFPVBQESA-N 1 0 331.350 -0.130 20 5 EBBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000274856443 379459905 /nfs/dbraw/zinc/45/99/05/379459905.db2.gz ZHBVNZSNDYGCAR-ZWNOBZJWSA-N 1 0 336.348 -0.101 20 5 EBBDRO O=C(N1CC[NH2+]CC1)N1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000600714485 379658673 /nfs/dbraw/zinc/65/86/73/379658673.db2.gz SMAPVCZURWJMLP-UHFFFAOYSA-N 1 0 337.384 -0.566 20 5 EBBDRO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)C[C@H](O)CN1CCOCC1 ZINC000090552025 379837752 /nfs/dbraw/zinc/83/77/52/379837752.db2.gz QGWBVSPEEXANQJ-AWEZNQCLSA-N 1 0 340.380 -0.619 20 5 EBBDRO COCC[N@@H+]1CC[C@H](NC(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC000269069901 380213283 /nfs/dbraw/zinc/21/32/83/380213283.db2.gz ZBVZIOBDUPHWJX-NSHDSACASA-N 1 0 326.357 -0.189 20 5 EBBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1nc(N2CC[NH2+]CC2)n[nH]1 ZINC000581368644 381071397 /nfs/dbraw/zinc/07/13/97/381071397.db2.gz UNCOWHUQMQHRLO-UHFFFAOYSA-N 1 0 349.355 -0.344 20 5 EBBDRO NC(=O)[C@@H]1CC[C@H](C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])O1 ZINC000580828940 381038399 /nfs/dbraw/zinc/03/83/99/381038399.db2.gz RYVSWCAOYWNZBR-GYSYKLTISA-N 1 0 339.348 -0.043 20 5 EBBDRO C[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H](C)N1CCOCC1 ZINC000580829084 381038697 /nfs/dbraw/zinc/03/86/97/381038697.db2.gz YATPWVFFFNEISR-OBJOEFQTSA-N 1 0 327.385 -0.149 20 5 EBBDRO CNc1nc(C(=O)N[C@@H](C)C(=O)NCC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000584848719 381219125 /nfs/dbraw/zinc/21/91/25/381219125.db2.gz YHOJMZAKCMQXMI-VIFPVBQESA-N 1 0 338.368 -0.172 20 5 EBBDRO C[NH+](C)C[C@@](C)(O)CNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000269831997 381323528 /nfs/dbraw/zinc/32/35/28/381323528.db2.gz AFLZZSGXNRCYIG-HNNXBMFYSA-N 1 0 338.364 -0.247 20 5 EBBDRO CCNC(=O)N1CC[C@@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000575174898 381517425 /nfs/dbraw/zinc/51/74/25/381517425.db2.gz YLOJTTWHDJAKIT-ZYHUDNBSSA-N 1 0 326.357 -0.454 20 5 EBBDRO CC(C)(C)[C@H](O)C[C@H](CO)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000576040620 381593602 /nfs/dbraw/zinc/59/36/02/381593602.db2.gz MVXJTJXNTUODGM-KGYLQXTDSA-N 1 0 330.385 -0.100 20 5 EBBDRO [NH3+][C@H]1C[C@H]2CN(c3cc4nc[nH]c(=O)c4cc3[N+](=O)[O-])CCN2C1=O ZINC000580465407 381758378 /nfs/dbraw/zinc/75/83/78/381758378.db2.gz HNOYPPMGPXGNJS-WPRPVWTQSA-N 1 0 344.331 -0.008 20 5 EBBDRO C[C@@H](CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O)N1CC[NH+](C)CC1 ZINC000330782223 155309981 /nfs/dbraw/zinc/30/99/81/155309981.db2.gz YUUZGYJWQJCMTF-LBPRGKRZSA-N 1 0 337.380 -0.491 20 5 EBBDRO COCC1(CNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC[NH2+]CC1 ZINC000261717128 154197405 /nfs/dbraw/zinc/19/74/05/154197405.db2.gz LFVWUTCMGFXPEQ-UHFFFAOYSA-N 1 0 338.364 -0.111 20 5 EBBDRO C[NH2+][C@@H](C)CNC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000261738519 154200225 /nfs/dbraw/zinc/20/02/25/154200225.db2.gz MGHQOSKFLWISPY-JTQLQIEISA-N 1 0 344.393 -0.061 20 5 EBBDRO C[C@@H](C[NH3+])C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000262486338 154233917 /nfs/dbraw/zinc/23/39/17/154233917.db2.gz HFKYLAZFSIMWIS-VIFPVBQESA-N 1 0 330.366 -0.416 20 5 EBBDRO C[NH2+]CCCNC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000262738172 154245978 /nfs/dbraw/zinc/24/59/78/154245978.db2.gz HCUPEOSFUHZXAL-UHFFFAOYSA-N 1 0 344.393 -0.011 20 5 EBBDRO C[NH+](C)CCNS(=O)(=O)c1ccc(N2CC(O)C2)c([N+](=O)[O-])c1 ZINC000265382440 154314782 /nfs/dbraw/zinc/31/47/82/154314782.db2.gz DAPGAZSFSIHVCQ-UHFFFAOYSA-N 1 0 344.393 -0.384 20 5 EBBDRO C[N@@H+]1CC[C@@](O)(CNC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)C1 ZINC000358069538 157206365 /nfs/dbraw/zinc/20/63/65/157206365.db2.gz TUPFPBBXZAFDSG-OAHLLOKOSA-N 1 0 346.347 -0.028 20 5 EBBDRO COc1cc(S(=O)(=O)NC[C@]2(O)CC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC000358195839 157227286 /nfs/dbraw/zinc/22/72/86/157227286.db2.gz KGAJWLDYPZCMSZ-CYBMUJFWSA-N 1 0 345.377 -0.052 20 5 EBBDRO CCn1cc(S(=O)(=O)NC[C@@]2(O)CC[N@H+](C)C2)c([N+](=O)[O-])n1 ZINC000358215186 157228694 /nfs/dbraw/zinc/22/86/94/157228694.db2.gz RKXXBLKVLXEQDM-NSHDSACASA-N 1 0 333.370 -0.844 20 5 EBBDRO COc1ccc(S(=O)(=O)NC[C@]2(O)CC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC000358212678 157229463 /nfs/dbraw/zinc/22/94/63/157229463.db2.gz NJXNHQFRVZKKIO-CYBMUJFWSA-N 1 0 345.377 -0.052 20 5 EBBDRO NS(=O)(=O)c1ccc(N2CCC[N@H+](CCO)CC2)c([N+](=O)[O-])c1 ZINC000362620786 419057317 /nfs/dbraw/zinc/05/73/17/419057317.db2.gz 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342.352 -0.844 20 5 EBBDRO O=C(c1ccc([N+](=O)[O-])s1)N1CCN(C(=O)C2(O)C[NH2+]C2)CC1 ZINC000595925622 378037193 /nfs/dbraw/zinc/03/71/93/378037193.db2.gz AFSBDKSEWGHMEG-UHFFFAOYSA-N 1 0 340.361 -0.725 20 5 EBBDRO O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(C(=O)C2(O)C[NH2+]C2)CC1 ZINC000595940203 378041179 /nfs/dbraw/zinc/04/11/79/378041179.db2.gz OSHGZVYKFMNDIW-UHFFFAOYSA-N 1 0 334.332 -0.787 20 5 EBBDRO NS(=O)(=O)c1ccc(N2CC([N@@H+]3CC[C@@H](O)C3)C2)cc1[N+](=O)[O-] ZINC000596296408 378058312 /nfs/dbraw/zinc/05/83/12/378058312.db2.gz VKWVLGHHYYIKOT-LLVKDONJSA-N 1 0 342.377 -0.503 20 5 EBBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000596581415 378065234 /nfs/dbraw/zinc/06/52/34/378065234.db2.gz YBGQTJBVFYSTCI-LLVKDONJSA-N 1 0 348.359 -0.086 20 5 EBBDRO O=[N+]([O-])c1c(NCC[N@H+]2CC[C@@H](O)C2)ncnc1N1CCOCC1 ZINC000599176004 378200974 /nfs/dbraw/zinc/20/09/74/378200974.db2.gz NNCUIZOZFSJLLZ-LLVKDONJSA-N 1 0 338.368 -0.300 20 5 EBBDRO O=C(CNC(=O)Nc1cccc([N+](=O)[O-])c1)N1CCOC2(C[NH2+]C2)C1 ZINC000598669277 378180725 /nfs/dbraw/zinc/18/07/25/378180725.db2.gz YXRWJJRPPFODFK-UHFFFAOYSA-N 1 0 349.347 -0.083 20 5 EBBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H](CO)CN2CCCCC2)c1 ZINC000567872759 378264515 /nfs/dbraw/zinc/26/45/15/378264515.db2.gz GETHJUNYWSZPNC-TZMCWYRMSA-N 1 0 327.385 -0.411 20 5 EBBDRO [NH3+][C@H]1C[C@H]2CN(C(=O)c3n[nH]c4ccc([N+](=O)[O-])cc43)CCN2C1=O ZINC000571106807 378548395 /nfs/dbraw/zinc/54/83/95/378548395.db2.gz QVMNJIRTOZSVOI-ONGXEEELSA-N 1 0 344.331 -0.145 20 5 EBBDRO [NH3+][C@H]1C[C@@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CCN2C1=O ZINC000563441565 379025572 /nfs/dbraw/zinc/02/55/72/379025572.db2.gz MFGPARQGHPRFNR-PWSUYJOCSA-N 1 0 340.361 -0.473 20 5 EBBDRO CS(=O)(=O)N1CCC[C@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000400167435 379186161 /nfs/dbraw/zinc/18/61/61/379186161.db2.gz ZEKNWKCOJVXTBE-JQWIXIFHSA-N 1 0 347.397 -0.834 20 5 EBBDRO 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CWABZMXWRLNETO-LBPRGKRZSA-N 1 0 339.400 -0.274 20 5 EBBDRO CC[C@@H]([NH3+])C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000581009089 381048632 /nfs/dbraw/zinc/04/86/32/381048632.db2.gz PJWRUEYBCRYNGM-LLVKDONJSA-N 1 0 330.366 -0.273 20 5 EBBDRO COCCO[C@@H]1COCC[C@H]1[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000581246977 381063917 /nfs/dbraw/zinc/06/39/17/381063917.db2.gz XTOSWIJRXIODHF-BFHYXJOUSA-N 1 0 344.368 -0.438 20 5 EBBDRO [NH3+][C@@H]1C[C@@H]2CN(c3nc4ccc([N+](=O)[O-])cc4c(=O)[nH]3)CCN2C1=O ZINC000583575488 381515301 /nfs/dbraw/zinc/51/53/01/381515301.db2.gz HOBWTVFIOAGNDD-MWLCHTKSSA-N 1 0 344.331 -0.008 20 5 EBBDRO C[C@@H]([NH3+])CC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000261745644 154199535 /nfs/dbraw/zinc/19/95/35/154199535.db2.gz GWYOUKAYWWMVJC-SECBINFHSA-N 1 0 330.366 -0.273 20 5 EBBDRO [NH3+]CCC(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000262240704 154219664 /nfs/dbraw/zinc/21/96/64/154219664.db2.gz QJGLFTFNBHUZKF-UHFFFAOYSA-N 1 0 342.377 -0.224 20 5 EBBDRO CN(CC(=O)NCCC[NH3+])S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000262475044 154233850 /nfs/dbraw/zinc/23/38/50/154233850.db2.gz NJHIRTMPPIKDRI-UHFFFAOYSA-N 1 0 330.366 -0.320 20 5 EBBDRO COc1ccc(S(=O)(=O)N2CCO[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000262555955 154236900 /nfs/dbraw/zinc/23/69/00/154236900.db2.gz UFPZSNBDVRVGBV-SECBINFHSA-N 1 0 331.350 -0.048 20 5 EBBDRO C[NH2+]CC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000263251455 154256342 /nfs/dbraw/zinc/25/63/42/154256342.db2.gz OWJJXYTUSRWVQJ-UHFFFAOYSA-N 1 0 342.377 -0.353 20 5 EBBDRO CN1CC[N@H+](C)C[C@H]1CNc1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1 ZINC000264781775 154293253 /nfs/dbraw/zinc/29/32/53/154293253.db2.gz RABQVTFTJYAJFS-GFCCVEGCSA-N 1 0 343.409 -0.100 20 5 EBBDRO Cn1nc([N+](=O)[O-])cc1C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000356452105 157066935 /nfs/dbraw/zinc/06/69/35/157066935.db2.gz XRBFGTGBJJIRLD-JTQLQIEISA-N 1 0 338.368 -0.355 20 5 EBBDRO CN1CC[N@H+](C)C[C@@H]1CNc1cccc([N+](=O)[O-])c1S(N)(=O)=O ZINC000518927269 419511150 /nfs/dbraw/zinc/51/11/50/419511150.db2.gz BFJIAMIGZIBOKL-JTQLQIEISA-N 1 0 343.409 -0.100 20 5 EBBDRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000580326771 420670606 /nfs/dbraw/zinc/67/06/06/420670606.db2.gz MOLDPVARXGEHKK-JTQLQIEISA-N 1 0 336.352 -0.358 20 5 EBBDRO [NH3+]C[C@@H](NC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000422856733 420921114 /nfs/dbraw/zinc/92/11/14/420921114.db2.gz FZXWLUQTDAFFAN-SNVBAGLBSA-N 1 0 342.377 -0.273 20 5 EBBDRO O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])N1CCC[NH2+]CC1 ZINC000422712489 420922118 /nfs/dbraw/zinc/92/21/18/420922118.db2.gz OIGNXGDPTPGYLB-UHFFFAOYSA-N 1 0 342.377 -0.305 20 5 EBBDRO CC(C)([NH3+])CNC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000422882067 420922189 /nfs/dbraw/zinc/92/21/89/420922189.db2.gz OXFROOMSDSWWFU-UHFFFAOYSA-N 1 0 330.366 -0.273 20 5 EBBDRO CC1(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[NH2+]C1 ZINC000423081334 420922516 /nfs/dbraw/zinc/92/25/16/420922516.db2.gz CUTPHNKNCTZUAF-UHFFFAOYSA-N 1 0 342.377 -0.401 20 5 EBBDRO CC1(C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C[NH2+]C1 ZINC000423213123 420923257 /nfs/dbraw/zinc/92/32/57/420923257.db2.gz KSOWMDKNTNIMQI-UHFFFAOYSA-N 1 0 342.377 -0.401 20 5 EBBDRO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000494715848 420944745 /nfs/dbraw/zinc/94/47/45/420944745.db2.gz ASZAUOYXOHCKSE-ZYHUDNBSSA-N 1 0 347.397 -0.834 20 5 EBBDRO CN(C1C[NH2+]C1)S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000357492862 420947990 /nfs/dbraw/zinc/94/79/90/420947990.db2.gz ZFTZUPJSMQQJCX-UHFFFAOYSA-N 1 0 329.334 -0.042 20 5 EBBDRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000419464881 264868906 /nfs/dbraw/zinc/86/89/06/264868906.db2.gz NRUXIZCGEJVKSI-CMPLNLGQSA-N 1 0 338.368 -0.459 20 5 EBBDRO C[C@H]1CCCN(C(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)[C@@H]1C[NH3+] ZINC000419469893 264869113 /nfs/dbraw/zinc/86/91/13/264869113.db2.gz XFKBTDWUYSQCBX-CMPLNLGQSA-N 1 0 338.368 -0.507 20 5 EBBDRO C[C@H]1C[NH2+]CCN1C(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000422761722 264974875 /nfs/dbraw/zinc/97/48/75/264974875.db2.gz RMZGGAJKVIPSHY-JTQLQIEISA-N 1 0 342.377 -0.307 20 5 EBBDRO CC[NH2+][C@H](C)CNC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000423603039 265018710 /nfs/dbraw/zinc/01/87/10/265018710.db2.gz GUIHYBQRDFNJOM-SNVBAGLBSA-N 1 0 344.393 -0.013 20 5 EBBDRO C[NH2+]CCCNC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000428146275 265119505 /nfs/dbraw/zinc/11/95/05/265119505.db2.gz OKOSRCALKXAAFL-UHFFFAOYSA-N 1 0 344.393 -0.011 20 5 EBBDRO CN(CC(=O)N1CC[NH2+]CC1)C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000428173007 265119506 /nfs/dbraw/zinc/11/95/06/265119506.db2.gz BHYWSLUZJVQPAI-UHFFFAOYSA-N 1 0 335.364 -0.103 20 5 EBBDRO Cc1c(C(=O)NC[C@@H](C)C[NH3+])cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000441612930 265309773 /nfs/dbraw/zinc/30/97/73/265309773.db2.gz MBQAQVKIHMRFRD-ZETCQYMHSA-N 1 0 330.366 -0.125 20 5 EBBDRO C[C@H](C[NH3+])NC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000347689447 274483889 /nfs/dbraw/zinc/48/38/89/274483889.db2.gz RVXSWTIMGCOOCO-SECBINFHSA-N 1 0 330.366 -0.273 20 5 EBBDRO C[NH+](C)C1(CNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)CCOCC1 ZINC000264968540 282030071 /nfs/dbraw/zinc/03/00/71/282030071.db2.gz AKGUEPXDYARSEK-UHFFFAOYSA-N 1 0 338.364 -0.017 20 5 EBBDRO [NH3+]CCN(CCO)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000342433497 295232523 /nfs/dbraw/zinc/23/25/23/295232523.db2.gz JASIFZSVJQAUDW-UHFFFAOYSA-N 1 0 326.309 -0.485 20 5 EBBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000394070333 582551050 /nfs/dbraw/zinc/55/10/50/582551050.db2.gz UYPQKRRUSOLNSD-NSHDSACASA-N 1 0 344.393 -0.215 20 5 EBBDRO CN1CC[N@H+](C)C[C@@H]1CNc1ncc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000736862411 582964010 /nfs/dbraw/zinc/96/40/10/582964010.db2.gz CIBTUTYFCSURHU-JTQLQIEISA-N 1 0 333.356 -0.172 20 5 EBBDRO NC(=O)C1=NO[C@@H](C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000819250588 583756414 /nfs/dbraw/zinc/75/64/14/583756414.db2.gz BRNDAMUIKSZXLS-CMPLNLGQSA-N 1 0 338.320 -0.446 20 5 EBBDRO NC(=O)C1=NO[C@H](C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000819250593 583756603 /nfs/dbraw/zinc/75/66/03/583756603.db2.gz BSPTYYRFRIDTDJ-UWVGGRQHSA-N 1 0 338.320 -0.446 20 5 EBBDRO C[NH+]1CCN(CCNc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC1 ZINC000821627013 583796661 /nfs/dbraw/zinc/79/66/61/583796661.db2.gz JFOIMDXCWXYEMO-UHFFFAOYSA-N 1 0 333.356 -0.171 20 5 EBBDRO CC[NH2+]CCNC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000842231757 584061342 /nfs/dbraw/zinc/06/13/42/584061342.db2.gz NZGYHBNZTDAZOO-UHFFFAOYSA-N 1 0 349.391 -0.031 20 5 EBBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@@H](CO)CN2CCOCC2)c1 ZINC000843116972 584071496 /nfs/dbraw/zinc/07/14/96/584071496.db2.gz XMMLHSMKEZUJGL-HIFRSBDPSA-N 1 0 325.365 -0.089 20 5 EBBDRO O=C1O[C@@H](C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CN1C1CC1 ZINC000848679453 584160460 /nfs/dbraw/zinc/16/04/60/584160460.db2.gz VVPPSBOUYZLNQH-NEPJUHHUSA-N 1 0 325.325 -0.275 20 5 EBBDRO C[NH+](C)CCONC(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000854945346 584253665 /nfs/dbraw/zinc/25/36/65/584253665.db2.gz NNBUMADDWLSPAY-UHFFFAOYSA-N 1 0 332.338 -0.535 20 5 EBBDRO Cn1nnnc1CN1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC[C@@H]2C1 ZINC000946589275 653160698 /nfs/dbraw/zinc/16/06/98/653160698.db2.gz PLHGSMCRISYTPY-YVECIDJPSA-N 1 0 349.395 -0.454 20 5 EBBDRO Cn1nncc1C[NH2+]C1CC2(CC(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 ZINC000963787260 723486161 /nfs/dbraw/zinc/48/61/61/723486161.db2.gz IPIXGXWBDVZZSP-KYWUDAINSA-N 1 0 334.380 -0.003 20 5 EBBDRO O=C(NC1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)c1ccc2c[nH+]cn2c1 ZINC000995637551 726282220 /nfs/dbraw/zinc/28/22/20/726282220.db2.gz LKYQNRNDUQBCGA-CHWSQXEVSA-N 1 0 329.316 -0.060 20 5 EBBDRO O=C(C[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)N1CCOCC1 ZINC000996429195 726392044 /nfs/dbraw/zinc/39/20/44/726392044.db2.gz LRZOHCAQHJSLBQ-CHWSQXEVSA-N 1 0 340.380 -0.909 20 5 EBBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1C[C@H](NC(=O)c2cnn(C)c2N)C1 ZINC001020094648 729070954 /nfs/dbraw/zinc/07/09/54/729070954.db2.gz QRWFKRXYNUUWSZ-KYZUINATSA-N 1 0 348.367 -0.305 20 5 EBBDRO Cc1c(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3c([N+](=O)[O-])ncn3C)C2)nnn1C ZINC001021923870 729346393 /nfs/dbraw/zinc/34/63/93/729346393.db2.gz GCTSRPPIMWMQIK-AOOOYVTPSA-N 1 0 348.367 -0.184 20 5 EBBDRO CCn1cc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3c([N+](=O)[O-])ncn3C)C2)nn1 ZINC001022903424 729551137 /nfs/dbraw/zinc/55/11/37/729551137.db2.gz XNJNRCDHYLUNHG-AOOOYVTPSA-N 1 0 348.367 -0.010 20 5 EBBDRO O=C(C[NH+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CC1)N1CCC1 ZINC001050517660 734916607 /nfs/dbraw/zinc/91/66/07/734916607.db2.gz ZSADTAQXBNQKIT-CHWSQXEVSA-N 1 0 336.392 -0.192 20 5 EBBDRO CCOCC(=O)NC1CC[NH+](CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001055575103 736389230 /nfs/dbraw/zinc/38/92/30/736389230.db2.gz MSCHJKOOPTTWIW-CHWSQXEVSA-N 1 0 342.396 -0.615 20 5 EBBDRO O=C(NCC1(NC(=O)C23CC[NH+](CC2)C3)CCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001062990355 739039177 /nfs/dbraw/zinc/03/91/77/739039177.db2.gz HJYDOGGHRDBLTF-VXGBXAGGSA-N 1 0 336.392 -0.098 20 5 EBBDRO O=C(N[C@@H]1[C@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@H]21)C12CC[NH+](CC1)C2 ZINC000976871426 803925734 /nfs/dbraw/zinc/92/57/34/803925734.db2.gz UEEZSFIBRXXUMM-LBELIVKGSA-N 1 0 334.376 -0.680 20 5 EBBDRO Cn1cc(C(=O)N[C@H]2C[C@H](C[NH2+]Cc3c([N+](=O)[O-])ncn3C)C2)nn1 ZINC000983599148 807053054 /nfs/dbraw/zinc/05/30/54/807053054.db2.gz NRENTBREIAHLAE-MGCOHNPYSA-N 1 0 348.367 -0.245 20 5 EBBDRO CC(=O)NCCOCC[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001227258872 811913633 /nfs/dbraw/zinc/91/36/33/811913633.db2.gz WQWXXFXLLWULSZ-ZIAGYGMSSA-N 1 0 342.396 -0.615 20 5 EBBDRO Cn1cnc(C(=O)NCC2([NH2+]Cc3c([N+](=O)[O-])ncn3C)CCC2)n1 ZINC001273077469 816582046 /nfs/dbraw/zinc/58/20/46/816582046.db2.gz JUDFJOIFYWFPCF-UHFFFAOYSA-N 1 0 348.367 -0.101 20 5 EBBDRO COC[C@@]1(C[NH+](C)C)COCCN1C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC001288227770 820271646 /nfs/dbraw/zinc/27/16/46/820271646.db2.gz YCOVQRKKXIEUBX-AWEZNQCLSA-N 1 0 341.368 -0.253 20 5 EBBDRO O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC001298083971 821444750 /nfs/dbraw/zinc/44/47/50/821444750.db2.gz XPSMBFJWDYQZGU-GFCCVEGCSA-N 1 0 338.364 -0.281 20 5 EBBDRO CN(CC[NH2+]CC(=O)NCC(F)(F)F)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001317584909 822165035 /nfs/dbraw/zinc/16/50/35/822165035.db2.gz JYQLGGXCGAEHOQ-HTQZYQBOSA-N 1 0 326.275 -0.622 20 5 EBBDRO COCC(=O)NCCC(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001128686559 828510408 /nfs/dbraw/zinc/51/04/08/828510408.db2.gz SGEXQZXWOJIRRI-UHFFFAOYSA-N 1 0 338.364 -0.047 20 5 EBBDRO CCn1nnc(C)c1C(=O)NCCNCc1c([N+](=O)[O-])ncn1C ZINC001129283650 828590202 /nfs/dbraw/zinc/59/02/02/828590202.db2.gz AXRMGYDRUQXZNK-UHFFFAOYSA-N 1 0 336.356 -0.232 20 5 EBBDRO O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC([N@@H+]3CC[C@H](O)C3)CC2)c1 ZINC001118566356 826960766 /nfs/dbraw/zinc/96/07/66/826960766.db2.gz JNDUBTFJTUOCPQ-GJZGRUSLSA-N 1 0 339.396 -0.317 20 5 EBBDRO O=C(C[NH2+]CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])NC(=O)Nc1ccccc1 ZINC001126936667 828233560 /nfs/dbraw/zinc/23/35/60/828233560.db2.gz PWJABSRNESDSTH-VXGBXAGGSA-N 1 0 349.347 -0.294 20 5 EBBDRO O=C(C[NH2+]CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])NCc1cccs1 ZINC001126939214 828235213 /nfs/dbraw/zinc/23/52/13/828235213.db2.gz SFUNQGZRNDCIKR-GHMZBOCLSA-N 1 0 326.378 -0.265 20 5 EBBDRO Cn1cnn(CC(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])c1=O ZINC001130590980 828893459 /nfs/dbraw/zinc/89/34/59/828893459.db2.gz OVLYUEGBSAOKDP-UHFFFAOYSA-N 1 0 334.336 -0.604 20 5 EBBDRO Cn1c(=O)[nH]cc(C(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])c1=O ZINC001132241640 829391834 /nfs/dbraw/zinc/39/18/34/829391834.db2.gz BLSGAWNZBZDBTI-UHFFFAOYSA-N 1 0 347.331 -0.086 20 5 EBBDRO O=C(CN1CCC(=O)NC1=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001146870115 830235019 /nfs/dbraw/zinc/23/50/19/830235019.db2.gz XMJUFAHZUDSQBB-UHFFFAOYSA-N 1 0 349.347 -0.258 20 5 EBBDRO CC(=O)N(C)CC(=O)NCCC[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC001154820130 831365172 /nfs/dbraw/zinc/36/51/72/831365172.db2.gz ZLHRAHWZUCSOBR-UHFFFAOYSA-N 1 0 326.357 -0.598 20 5 EBBDRO O=C1C[C@H](CNc2ncnc(N3CC[NH2+]CC3)c2[N+](=O)[O-])CCN1 ZINC001154933616 831374609 /nfs/dbraw/zinc/37/46/09/831374609.db2.gz AFMZIIINNSHVSB-SNVBAGLBSA-N 1 0 335.368 -0.268 20 5 EBBDRO O=C1C[C@@H](CNc2ncnc(N3CC[NH2+]CC3)c2[N+](=O)[O-])CCN1 ZINC001154933615 831374696 /nfs/dbraw/zinc/37/46/96/831374696.db2.gz AFMZIIINNSHVSB-JTQLQIEISA-N 1 0 335.368 -0.268 20 5 EBBDRO O=[N+]([O-])c1c(N[C@H]2C=CS(=O)(=O)C2)ncnc1N1CC[NH2+]CC1 ZINC001156061967 831451695 /nfs/dbraw/zinc/45/16/95/831451695.db2.gz UMPUTICMTLSTQZ-VIFPVBQESA-N 1 0 340.365 -0.483 20 5 EBBDRO O=C1NCC2(CCN(c3ncc([N+](=O)[O-])c(C4C[NH2+]C4)n3)CC2)N1 ZINC001157261598 831546998 /nfs/dbraw/zinc/54/69/98/831546998.db2.gz SDPNWCQEUJSPOF-UHFFFAOYSA-N 1 0 333.352 -0.277 20 5 EBBDRO CN(Cc1ccco1)C(=O)C[NH2+]CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157774840 831591344 /nfs/dbraw/zinc/59/13/44/831591344.db2.gz COPFYYARTBPVML-CHWSQXEVSA-N 1 0 338.364 -0.001 20 5 EBBDRO Cc1cc(NC(=O)C[NH2+]CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n(C)n1 ZINC001157774805 831591936 /nfs/dbraw/zinc/59/19/36/831591936.db2.gz AUUYDJPNAOKRNI-GHMZBOCLSA-N 1 0 338.368 -0.572 20 5 EBBDRO CN(CC(F)(F)F)C(=O)C[NH2+]CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157775269 831592021 /nfs/dbraw/zinc/59/20/21/831592021.db2.gz NAWCVEWLVUOGLA-RKDXNWHRSA-N 1 0 340.302 -0.232 20 5 EBBDRO CN1CCOC[C@@H]1CNc1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001158700010 831679842 /nfs/dbraw/zinc/67/98/42/831679842.db2.gz CDKULWIRHIRBNJ-NSHDSACASA-N 1 0 337.384 -0.463 20 5 EBBDRO COc1nc(NCCOCCOCC[NH3+])nc(OC)c1[N+](=O)[O-] ZINC001159445617 831753009 /nfs/dbraw/zinc/75/30/09/831753009.db2.gz PAOOOWBTUBTFSK-UHFFFAOYSA-N 1 0 331.329 -0.194 20 5 EBBDRO CCOC(=O)[C@@H]1C[NH2+]C[C@H]1Nc1nc(OC)c([N+](=O)[O-])c(OC)n1 ZINC001159755535 831779361 /nfs/dbraw/zinc/77/93/61/831779361.db2.gz RPJSMAQXOFGMSJ-HTQZYQBOSA-N 1 0 341.324 -0.035 20 5 EBBDRO O=C(NCCC1=CC[N@H+](CCOCCO)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001160098313 831815449 /nfs/dbraw/zinc/81/54/49/831815449.db2.gz XSYHXIAMQKSGJA-ZIAGYGMSSA-N 1 0 327.381 -0.201 20 5 EBBDRO CNC(=O)C[NH+]1CCC(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])(COC)CC1 ZINC001162264307 832029750 /nfs/dbraw/zinc/02/97/50/832029750.db2.gz JESHOPBHXXPYKT-VXGBXAGGSA-N 1 0 342.396 -0.758 20 5 EBBDRO COC(=O)[C@H]1C[NH2+]CCN1c1nc(NC(C)=O)nc(C)c1[N+](=O)[O-] ZINC001165441570 832219897 /nfs/dbraw/zinc/21/98/97/832219897.db2.gz DHKFBLSIIICUBK-SECBINFHSA-N 1 0 338.324 -0.397 20 5 EBBDRO N=C(NCCCC[NH3+])Nc1ncnc(N2CCOCC2)c1[N+](=O)[O-] ZINC001167880583 832381621 /nfs/dbraw/zinc/38/16/21/832381621.db2.gz QAQUZNOMDUAJMF-UHFFFAOYSA-N 1 0 338.372 -0.103 20 5 EBBDRO CCOC(=O)[C@@H](Nc1ncnc(C2C[NH2+]C2)c1[N+](=O)[O-])[C@@H](C)O ZINC001168035530 832388519 /nfs/dbraw/zinc/38/85/19/832388519.db2.gz JUELJIVEOACVRG-APPZFPTMSA-N 1 0 325.325 -0.204 20 5 EBBDRO CN(CC[NH3+])CCNc1ncnc(N2CCOCC2)c1[N+](=O)[O-] ZINC001170498859 832510691 /nfs/dbraw/zinc/51/06/91/832510691.db2.gz OYJNMGHUWNVQAR-UHFFFAOYSA-N 1 0 325.373 -0.476 20 5 EBBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCCNC(=O)c1c[nH]c(C(N)=O)c1 ZINC001176153371 832659619 /nfs/dbraw/zinc/65/96/19/832659619.db2.gz RNQNNHZLJDVVTC-UHFFFAOYSA-N 1 0 349.351 -0.335 20 5 EBBDRO NC(=O)NC(=O)C[NH2+]CCCCCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001178458374 832865693 /nfs/dbraw/zinc/86/56/93/832865693.db2.gz DNXCNGJGFHUEIU-NXEZZACHSA-N 1 0 329.357 -0.887 20 5 EBBDRO CS(=O)(=O)CC[NH2+]CCCCCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001178458321 832866569 /nfs/dbraw/zinc/86/65/69/832866569.db2.gz AGPQHJRRIYCWEM-VXGBXAGGSA-N 1 0 335.426 -0.038 20 5 EBBDRO COC(=O)COc1ccc(C[NH2+]C[C@H](O)[C@@H](C)O)cc1[N+](=O)[O-] ZINC001179274854 832965423 /nfs/dbraw/zinc/96/54/23/832965423.db2.gz UJFVEYLAOQRFOQ-SKDRFNHKSA-N 1 0 328.321 -0.022 20 5 EBBDRO CC[NH+]1CCC(NC(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)CC1 ZINC001321902107 839098608 /nfs/dbraw/zinc/09/86/08/839098608.db2.gz KBEWWYUAHYFCCG-UHFFFAOYSA-N 1 0 338.368 -0.492 20 5 EBBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@@H](CCO)C2CCOCC2)c1 ZINC001327004746 840268101 /nfs/dbraw/zinc/26/81/01/840268101.db2.gz WAOJMXQSPNMWNZ-KBPBESRZSA-N 1 0 328.369 -0.081 20 5 EBBDRO CN(CC[NH+]1CCCC1)C(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC001329710631 840997700 /nfs/dbraw/zinc/99/77/00/840997700.db2.gz NCXZONMIJCCHFP-UHFFFAOYSA-N 1 0 338.368 -0.538 20 5 EBBDRO O=[N+]([O-])c1cnn(C[C@H](O)CN2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c1 ZINC001330089649 841113799 /nfs/dbraw/zinc/11/37/99/841113799.db2.gz UEZZOGDIRFMXBC-ILXRZTDVSA-N 1 0 339.396 -0.317 20 5 EBBDRO C[C@@H](NC(=O)C(=O)NC[C@@H]1COCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC001331574226 841429234 /nfs/dbraw/zinc/42/92/34/841429234.db2.gz TYGPEKHBWHEQIL-ZYHUDNBSSA-N 1 0 336.348 -0.123 20 5 EBBDRO CN(CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)C1CC[NH+](C)CC1 ZINC001492348948 1130636716 /nfs/dbraw/zinc/63/67/16/1130636716.db2.gz HWCRPCLSRIFZDN-CHWSQXEVSA-N 1 0 326.397 -0.042 20 5 EBBDRO C[N@@H+]1CC[C@@H]2OCCN(C(=O)Cn3cc([N+](=O)[O-])ccc3=O)[C@@H]2C1 ZINC000286017509 375927289 /nfs/dbraw/zinc/92/72/89/375927289.db2.gz ZXIDYPCUMWVPCH-OLZOCXBDSA-N 1 0 336.348 -0.312 20 5 EBBDRO C[C@@H](C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])[NH+](C)C ZINC000610560436 376295396 /nfs/dbraw/zinc/29/53/96/376295396.db2.gz GOPTVOBTOKHSBH-JTQLQIEISA-N 1 0 344.393 -0.061 20 5 EBBDRO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C1 ZINC000563106810 377384551 /nfs/dbraw/zinc/38/45/51/377384551.db2.gz JDMMXRFDSNQHHS-VIFPVBQESA-N 1 0 337.336 -0.378 20 5 EBBDRO C[NH+](C)C[C@@](C)(O)CNc1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000589112223 377399231 /nfs/dbraw/zinc/39/92/31/377399231.db2.gz HRNYUGOMQIAYLC-LBPRGKRZSA-N 1 0 332.382 -0.033 20 5 EBBDRO COc1ccc(C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000563438730 377435899 /nfs/dbraw/zinc/43/58/99/377435899.db2.gz QLZUJAFAPYDFJN-MNOVXSKESA-N 1 0 334.332 -0.013 20 5 EBBDRO COc1ccc(C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cc1[N+](=O)[O-] ZINC000563438732 377436636 /nfs/dbraw/zinc/43/66/36/377436636.db2.gz QLZUJAFAPYDFJN-WDEREUQCSA-N 1 0 334.332 -0.013 20 5 EBBDRO C[C@H](NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)C(=O)NCC[NH+](C)C ZINC000566461958 377538879 /nfs/dbraw/zinc/53/88/79/377538879.db2.gz KJADEEXTYDCFEP-JTQLQIEISA-N 1 0 340.384 -0.291 20 5 EBBDRO C[NH+](C)C[C@@H](CO)NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000590548363 377634167 /nfs/dbraw/zinc/63/41/67/377634167.db2.gz AVACOWRJJBTTQF-NSHDSACASA-N 1 0 334.336 -0.172 20 5 EBBDRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1c1ncc([N+](=O)[O-])cc1C(N)=O ZINC000591982605 377776760 /nfs/dbraw/zinc/77/67/60/377776760.db2.gz NTTXCHSJHLMORZ-SECBINFHSA-N 1 0 336.352 -0.355 20 5 EBBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)NCCN1CC[NH2+]CC1 ZINC000592983121 377868489 /nfs/dbraw/zinc/86/84/89/377868489.db2.gz ZRIHEOAYDNUAIA-UHFFFAOYSA-N 1 0 344.393 -0.213 20 5 EBBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000592982979 377868921 /nfs/dbraw/zinc/86/89/21/377868921.db2.gz OCBGVEICMLXMPA-SNVBAGLBSA-N 1 0 344.393 -0.133 20 5 EBBDRO NS(=O)(=O)c1c([N+](=O)[O-])cccc1N1CC(N2CC[C@@H](O)C2)C1 ZINC000593508662 377887380 /nfs/dbraw/zinc/88/73/80/377887380.db2.gz UYJJKEDMHYUTBR-SNVBAGLBSA-N 1 0 342.377 -0.503 20 5 EBBDRO C[NH2+]C[C@H](C)NC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000595981489 378044880 /nfs/dbraw/zinc/04/48/80/378044880.db2.gz DDLPLBFDZLUHNF-JTQLQIEISA-N 1 0 344.393 -0.013 20 5 EBBDRO C[NH2+]CCOCCNC(=O)C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000599896543 378280272 /nfs/dbraw/zinc/28/02/72/378280272.db2.gz KAYONTWSBNEQPY-UHFFFAOYSA-N 1 0 340.336 -0.106 20 5 EBBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000599900181 378281805 /nfs/dbraw/zinc/28/18/05/378281805.db2.gz SJWUIJJOXTXSDT-SECBINFHSA-N 1 0 338.320 -0.354 20 5 EBBDRO Cc1c(CNC(=O)C(=O)NC[C@@H]2COCC[NH2+]2)cccc1[N+](=O)[O-] ZINC000599948658 378283693 /nfs/dbraw/zinc/28/36/93/378283693.db2.gz AWWDMYDBRGVOBC-GFCCVEGCSA-N 1 0 336.348 -0.376 20 5 EBBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+]2CCC(N3CCOCC3)CC2)c1 ZINC000599473996 378248527 /nfs/dbraw/zinc/24/85/27/378248527.db2.gz DPIYWVYKSDIKIR-HNNXBMFYSA-N 1 0 339.396 -0.051 20 5 EBBDRO CC[NH+]1CCN(CCNS(=O)(=O)c2cccnc2[N+](=O)[O-])CC1 ZINC000563589319 379048664 /nfs/dbraw/zinc/04/86/64/379048664.db2.gz CYLFJMNLUQXUOT-UHFFFAOYSA-N 1 0 343.409 -0.094 20 5 EBBDRO O=C(CCn1cc([N+](=O)[O-])cn1)Nc1nc(N2CC[NH2+]CC2)n[nH]1 ZINC000574078956 379228467 /nfs/dbraw/zinc/22/84/67/379228467.db2.gz DRYPRIXNJWVNJN-UHFFFAOYSA-N 1 0 335.328 -0.652 20 5 EBBDRO C[C@@H](C[NH3+])NC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000417677004 379327105 /nfs/dbraw/zinc/32/71/05/379327105.db2.gz GXTRFYCKCSDFRU-VIFPVBQESA-N 1 0 345.381 -0.481 20 5 EBBDRO COc1ccc(CNC(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)cc1[N+](=O)[O-] ZINC000418957404 379337985 /nfs/dbraw/zinc/33/79/85/379337985.db2.gz ZMMAWBMVIRFFLD-TXEJJXNPSA-N 1 0 348.359 -0.103 20 5 EBBDRO C[NH2+]CCNC(=O)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000419868123 379346246 /nfs/dbraw/zinc/34/62/46/379346246.db2.gz HQYCAFAAVXHSHX-UHFFFAOYSA-N 1 0 335.364 -0.421 20 5 EBBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCN(C(=O)C[NH+](C)C)CC1 ZINC000066044230 379358210 /nfs/dbraw/zinc/35/82/10/379358210.db2.gz DXGZXVKOQIOHEW-UHFFFAOYSA-N 1 0 338.368 -0.668 20 5 EBBDRO CCn1cc(S(=O)(=O)NCCOCC[NH+](C)C)c([N+](=O)[O-])n1 ZINC000471643231 379526976 /nfs/dbraw/zinc/52/69/76/379526976.db2.gz PHPZLBPERNTYOH-UHFFFAOYSA-N 1 0 335.386 -0.332 20 5 EBBDRO C[C@@H]1CN(c2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)CCN1CCO ZINC000490079376 379563372 /nfs/dbraw/zinc/56/33/72/379563372.db2.gz ZJEJLOOVPQZCPB-SNVBAGLBSA-N 1 0 344.393 -0.255 20 5 EBBDRO CCNS(=O)(=O)[C@@H]1CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000271362746 379755116 /nfs/dbraw/zinc/75/51/16/379755116.db2.gz PYUIBMMLVNYVIW-NWDGAFQWSA-N 1 0 347.397 -0.834 20 5 EBBDRO C[C@H](O)C[N@@H+]1CCN(C(=O)NCCn2cc([N+](=O)[O-])cn2)[C@@H](C)C1 ZINC000354551234 379707609 /nfs/dbraw/zinc/70/76/09/379707609.db2.gz KLQQSCIJTHQCRH-RYUDHWBXSA-N 1 0 340.384 -0.112 20 5 EBBDRO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)C[C@@H](O)CN1CCOCC1 ZINC000090552026 379837244 /nfs/dbraw/zinc/83/72/44/379837244.db2.gz QGWBVSPEEXANQJ-CQSZACIVSA-N 1 0 340.380 -0.619 20 5 EBBDRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000444382869 379844766 /nfs/dbraw/zinc/84/47/66/379844766.db2.gz HEYSRHMNKRTSCQ-SNVBAGLBSA-N 1 0 326.357 -0.510 20 5 EBBDRO C[NH2+]CCNC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000417704304 380974518 /nfs/dbraw/zinc/97/45/18/380974518.db2.gz SCTDFIYVGHFSBD-UHFFFAOYSA-N 1 0 345.381 -0.608 20 5 EBBDRO CN(C)C[C@@H](O)C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000581370333 381072674 /nfs/dbraw/zinc/07/26/74/381072674.db2.gz ROVJWVSWMPIHAU-LBPRGKRZSA-N 1 0 331.394 -0.119 20 5 EBBDRO CCOC[C@H](O)C[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000581998598 381144667 /nfs/dbraw/zinc/14/46/67/381144667.db2.gz PEBASGSNGPDXLO-LLVKDONJSA-N 1 0 347.393 -0.140 20 5 EBBDRO O=[N+]([O-])c1cnn(C[C@H](O)CNC[C@H](O)C[NH+]2CCCCC2)c1 ZINC000584409057 381127356 /nfs/dbraw/zinc/12/73/56/381127356.db2.gz ALKZVNJPMRQVKT-UONOGXRCSA-N 1 0 327.385 -0.411 20 5 EBBDRO CC(CO)(CO)C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000575046529 381421932 /nfs/dbraw/zinc/42/19/32/381421932.db2.gz STRYDKMYKVRWCU-UHFFFAOYSA-N 1 0 332.378 -0.051 20 5 EBBDRO CC(C)(C)[C@H](O)C[C@H](CO)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000576040621 381593403 /nfs/dbraw/zinc/59/34/03/381593403.db2.gz MVXJTJXNTUODGM-RAIGVLPGSA-N 1 0 330.385 -0.100 20 5 EBBDRO C[NH2+][C@H](C)CNC(=O)c1cc(S(N)(=O)=O)cc([N+](=O)[O-])c1C ZINC000261679744 154196188 /nfs/dbraw/zinc/19/61/88/154196188.db2.gz HLGLATWFFXUTSW-SSDOTTSWSA-N 1 0 330.366 -0.112 20 5 EBBDRO C[NH2+][C@@H](C)CNC(=O)c1cc(S(N)(=O)=O)cc([N+](=O)[O-])c1C ZINC000261679745 154196193 /nfs/dbraw/zinc/19/61/93/154196193.db2.gz HLGLATWFFXUTSW-ZETCQYMHSA-N 1 0 330.366 -0.112 20 5 EBBDRO C[NH2+]CCC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000262583853 154238349 /nfs/dbraw/zinc/23/83/49/154238349.db2.gz UYYBYOLRFWRPHC-UHFFFAOYSA-N 1 0 330.366 -0.401 20 5 EBBDRO C[C@@H](CC(N)=O)[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000267266737 154369372 /nfs/dbraw/zinc/36/93/72/154369372.db2.gz RKXVFOIHBWFTOQ-VIFPVBQESA-N 1 0 330.366 -0.273 20 5 EBBDRO C[NH+](C)C[C@](C)(O)CNc1cc([N+](=O)[O-])ccc1S(N)(=O)=O ZINC000272732745 154563559 /nfs/dbraw/zinc/56/35/59/154563559.db2.gz AOAWXIFDIORQMW-GFCCVEGCSA-N 1 0 332.382 -0.033 20 5 EBBDRO COC(=O)[C@@H]1CSCC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000412087654 419138773 /nfs/dbraw/zinc/13/87/73/419138773.db2.gz WGKVUVXMJNQPML-CMPLNLGQSA-N 1 0 344.393 -0.010 20 5 EBBDRO C[NH2+][C@@H](C)C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000518796023 419246124 /nfs/dbraw/zinc/24/61/24/419246124.db2.gz NLSXMYGFVOYVJA-VIFPVBQESA-N 1 0 330.366 -0.403 20 5 EBBDRO C[NH+](C)CCOc1cnccc1CNC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000494673875 420943708 /nfs/dbraw/zinc/94/37/08/420943708.db2.gz MXMVRIALKAVFRG-UHFFFAOYSA-N 1 0 349.351 -0.162 20 5 EBBDRO CNc1nccc(C(=O)N2CC(C[NH+]3CCN(C)CC3)C2)c1[N+](=O)[O-] ZINC000597693493 421220599 /nfs/dbraw/zinc/22/05/99/421220599.db2.gz FETPBYOGKYPBIT-UHFFFAOYSA-N 1 0 348.407 0.351 20 5 EBBDRO CC[NH+]1CCN(CCNC(=O)c2ccnc(NC)c2[N+](=O)[O-])CC1 ZINC000553239746 421282257 /nfs/dbraw/zinc/28/22/57/421282257.db2.gz VBLOLWXRCFEDTO-UHFFFAOYSA-N 1 0 336.396 0.399 20 5 EBBDRO C[C@@H](C[NH3+])CNC(=O)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000419960139 264911316 /nfs/dbraw/zinc/91/13/16/264911316.db2.gz SCBFNNSREVJCPR-LBPRGKRZSA-N 1 0 349.391 -0.046 20 5 EBBDRO [NH3+][C@H](CNC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000423476576 265006301 /nfs/dbraw/zinc/00/63/01/265006301.db2.gz KNNVOJKUVSDCSN-SNVBAGLBSA-N 1 0 342.377 -0.273 20 5 EBBDRO O=C(COC1C[NH2+]C1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000429992990 265142145 /nfs/dbraw/zinc/14/21/45/265142145.db2.gz ZSIPPHXNWYDLEE-UHFFFAOYSA-N 1 0 348.359 -0.132 20 5 EBBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@@H]2CCCN2CCCO)c1 ZINC000516467998 272887267 /nfs/dbraw/zinc/88/72/67/272887267.db2.gz MIHMDBLTQSZGII-GXTWGEPZSA-N 1 0 327.385 -0.411 20 5 EBBDRO Cn1ncc([N+](=O)[O-])c1N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000893106619 582593562 /nfs/dbraw/zinc/59/35/62/582593562.db2.gz QZFOMWPUOCFNDR-UHFFFAOYSA-N 1 0 325.369 -0.008 20 5 EBBDRO CN(CC[NH3+])C(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000817919930 583730969 /nfs/dbraw/zinc/73/09/69/583730969.db2.gz WRABYTQLLCQPOY-UHFFFAOYSA-N 1 0 335.364 -0.340 20 5 EBBDRO C[N@@H+]1CCO[C@@H]2CN(c3ncc([N+](=O)[O-])cc3-c3nn[nH]n3)C[C@@H]21 ZINC000821628579 583797001 /nfs/dbraw/zinc/79/70/01/583797001.db2.gz LRIFZTJQYJUANZ-WDEREUQCSA-N 1 0 332.324 -0.311 20 5 EBBDRO C[C@H]([NH3+])CNC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000842230015 584061389 /nfs/dbraw/zinc/06/13/89/584061389.db2.gz OUNAXNXJIDJLKG-NSHDSACASA-N 1 0 335.364 -0.293 20 5 EBBDRO C[C@@H](C[NH3+])CNC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000842251080 584061878 /nfs/dbraw/zinc/06/18/78/584061878.db2.gz YQDFRDXYHQEHGH-LBPRGKRZSA-N 1 0 349.391 -0.046 20 5 EBBDRO NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000848766280 584161606 /nfs/dbraw/zinc/16/16/06/584161606.db2.gz OKPFRNREZFSBEB-WDEREUQCSA-N 1 0 342.377 -0.503 20 5 EBBDRO [NH3+]CCN(CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C[C@H](O)CO ZINC000852753650 584215486 /nfs/dbraw/zinc/21/54/86/584215486.db2.gz FYXGKDLAAFRNIO-JTQLQIEISA-N 1 0 346.771 -0.199 20 5 EBBDRO COc1nc(N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)nc(OC)c1[N+](=O)[O-] ZINC001164668434 719392617 /nfs/dbraw/zinc/39/26/17/719392617.db2.gz RMRYWSZNSXYWOB-BDAKNGLRSA-N 1 0 325.325 -0.079 20 5 EBBDRO O=C(N[C@@H]1[C@H]2CN(C(=O)C34CCC[NH+]3CCC4)C[C@H]21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000976479655 726323561 /nfs/dbraw/zinc/32/35/61/726323561.db2.gz ADCJNQHXDWYPCM-RGDJUOJXSA-N 1 0 348.403 -0.147 20 5 EBBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1C[C@H](NC(=O)Cn2nccn2)C1 ZINC001020198167 729097281 /nfs/dbraw/zinc/09/72/81/729097281.db2.gz AJINYXVFCZAHNR-MGCOHNPYSA-N 1 0 334.340 -0.643 20 5 EBBDRO Cn1cc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3c([N+](=O)[O-])ncn3C)C2)nn1 ZINC001022040645 729354286 /nfs/dbraw/zinc/35/42/86/729354286.db2.gz CWPFYYBHIYFQJV-DTORHVGOSA-N 1 0 334.340 -0.493 20 5 EBBDRO Cn1cnc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3c([N+](=O)[O-])ncn3C)C2)n1 ZINC001022044301 729355081 /nfs/dbraw/zinc/35/50/81/729355081.db2.gz XPQPFANBSLSITC-DTORHVGOSA-N 1 0 334.340 -0.493 20 5 EBBDRO NC(=O)c1ccc(C[NH+]2CC(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cc1 ZINC001031661563 730747394 /nfs/dbraw/zinc/74/73/94/730747394.db2.gz BRIYJULSATYYFG-ZIAGYGMSSA-N 1 0 332.360 -0.001 20 5 EBBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC2(C1)CC[NH+](CCn1cncn1)CC2 ZINC001050516457 734916679 /nfs/dbraw/zinc/91/66/79/734916679.db2.gz BXAMBDLAUYNTDI-CHWSQXEVSA-N 1 0 334.380 -0.132 20 5 EBBDRO CSCC(=O)NCC[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001055511283 736363858 /nfs/dbraw/zinc/36/38/58/736363858.db2.gz YMYPJTVMTWKKBR-VXGBXAGGSA-N 1 0 344.437 -0.289 20 5 EBBDRO O=C(NCC[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)c1ccc[nH]1 ZINC001055516424 736367110 /nfs/dbraw/zinc/36/71/10/736367110.db2.gz JXWFCJHWXRSBQR-TZMCWYRMSA-N 1 0 349.391 -0.010 20 5 EBBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]C[C@H]1C[C@H](NC(=O)c2nnc[nH]2)C1 ZINC000984937624 807417579 /nfs/dbraw/zinc/41/75/79/807417579.db2.gz VWXZQBHJADEJJI-KYZUINATSA-N 1 0 334.340 -0.255 20 5 EBBDRO O=C(NC1CN(C(=O)C23CCC[NH+](CCC2)C3)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000991288480 809242044 /nfs/dbraw/zinc/24/20/44/809242044.db2.gz QHRKKNQRQLRTKA-CHWSQXEVSA-N 1 0 336.392 -0.145 20 5 EBBDRO C[N+](C)(C)C[C@H](O)CC(=O)OCc1nc(-c2cc[n+]([O-])cc2)no1 ZINC001223395521 811703485 /nfs/dbraw/zinc/70/34/85/811703485.db2.gz CXSWZTYKXHTROZ-GFCCVEGCSA-N 1 0 337.356 -0.130 20 5 EBBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccc([C@@H]2NC(=O)NC2=O)cc1 ZINC001229779923 812055233 /nfs/dbraw/zinc/05/52/33/812055233.db2.gz GIMWYFDNIVOQMW-RISCZKNCSA-O 1 0 336.368 -0.070 20 5 EBBDRO Cn1ncc([N+](=O)[O-])c1C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC001253912830 812690655 /nfs/dbraw/zinc/69/06/55/812690655.db2.gz OBTAAQSUQJBOBR-JTQLQIEISA-N 1 0 338.368 -0.355 20 5 EBBDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC001261407536 812903224 /nfs/dbraw/zinc/90/32/24/812903224.db2.gz IJSTWUKHUUQBSL-LLVKDONJSA-N 1 0 338.368 -0.540 20 5 EBBDRO CN(CCOCC[NH3+])C(=O)C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC001261838022 812996596 /nfs/dbraw/zinc/99/65/96/812996596.db2.gz UMQWMGHAHSFKNU-UHFFFAOYSA-N 1 0 338.364 -0.013 20 5 EBBDRO COCC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 ZINC001264025840 813141128 /nfs/dbraw/zinc/14/11/28/813141128.db2.gz ZBAMESOPWZCGER-NXEZZACHSA-N 1 0 325.325 -0.800 20 5 EBBDRO O=C(NCC[N@H+](CCN1C(=O)CCC1=O)C1CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001266592120 813616663 /nfs/dbraw/zinc/61/66/63/813616663.db2.gz IVOSMDPEUXBTBI-VXGBXAGGSA-N 1 0 338.364 -0.619 20 5 EBBDRO Cn1cnc(C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3c([N+](=O)[O-])ncn3C)C2)n1 ZINC001086078494 816224893 /nfs/dbraw/zinc/22/48/93/816224893.db2.gz WFTWUQCOXKCBBM-AOOOYVTPSA-N 1 0 348.367 -0.245 20 5 EBBDRO O=C(NC[C@H]1C[C@H]([NH2+]CCN2CCNC2=O)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001086363368 816308057 /nfs/dbraw/zinc/30/80/57/816308057.db2.gz QFWVMXMIZVWYTN-DDHJBXDOSA-N 1 0 325.369 -0.839 20 5 EBBDRO CC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCN(CCNS(C)(=O)=O)CC1 ZINC001278051177 817687872 /nfs/dbraw/zinc/68/78/72/817687872.db2.gz GVYLPUYFUHVGAV-GHMZBOCLSA-N 1 0 348.425 -0.829 20 5 EBBDRO CN(CCN(C)c1ncc([N+](=O)[O-])c(N)n1)C(=O)CC[NH+](C)C ZINC001105554340 821770348 /nfs/dbraw/zinc/77/03/48/821770348.db2.gz VVZPDQRLBCWIFU-UHFFFAOYSA-N 1 0 325.373 -0.187 20 5 EBBDRO NC(=O)NC(=O)C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCCCC1 ZINC001115530714 826554383 /nfs/dbraw/zinc/55/43/83/826554383.db2.gz NELPSMTZKLUBKU-NXEZZACHSA-N 1 0 341.368 -0.745 20 5 EBBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC001117603896 826783914 /nfs/dbraw/zinc/78/39/14/826783914.db2.gz LWUKUVCPGVWAQE-LLVKDONJSA-N 1 0 338.368 -0.492 20 5 EBBDRO O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c1 ZINC001118566357 826960510 /nfs/dbraw/zinc/96/05/10/826960510.db2.gz JNDUBTFJTUOCPQ-HUUCEWRRSA-N 1 0 339.396 -0.317 20 5 EBBDRO O=C(CN1CN=NC1=O)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001126021122 828149214 /nfs/dbraw/zinc/14/92/14/828149214.db2.gz HRXBXMQNJUIFDF-UHFFFAOYSA-N 1 0 326.338 -0.141 20 5 EBBDRO Cn1cnn(CC(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)c1=O ZINC001130590906 828892794 /nfs/dbraw/zinc/89/27/94/828892794.db2.gz LXBLMWDKYASFEW-UHFFFAOYSA-N 1 0 334.336 -0.604 20 5 EBBDRO O=C(CN1CCNC(=O)C1)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001132318398 829412472 /nfs/dbraw/zinc/41/24/72/829412472.db2.gz YHEKFIQRGAGELE-UHFFFAOYSA-N 1 0 335.364 -0.768 20 5 EBBDRO C[C@H](C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC001136391031 830085846 /nfs/dbraw/zinc/08/58/46/830085846.db2.gz DUZXDYSNMAXPGJ-SNVBAGLBSA-N 1 0 344.393 -0.061 20 5 EBBDRO Cc1n[nH]c(C(=O)NCC(=O)NCC[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC001140743742 830108237 /nfs/dbraw/zinc/10/82/37/830108237.db2.gz XIRMACLXHBKPMT-UHFFFAOYSA-N 1 0 338.368 -0.042 20 5 EBBDRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001146781360 830228788 /nfs/dbraw/zinc/22/87/88/830228788.db2.gz CIXDXOQVVKMLJB-UHFFFAOYSA-N 1 0 338.368 -0.336 20 5 EBBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCCNC(=O)Cc1ccnn1C ZINC001157219673 831544871 /nfs/dbraw/zinc/54/48/71/831544871.db2.gz JDWVDLHBIFVVNT-UHFFFAOYSA-N 1 0 335.368 -0.100 20 5 EBBDRO COc1nc(NC(=N)N2CC[NH+](C)CC2)nc(OC)c1[N+](=O)[O-] ZINC001157915923 831607243 /nfs/dbraw/zinc/60/72/43/831607243.db2.gz ZXZSQYXFVWQRLU-UHFFFAOYSA-N 1 0 325.329 -0.004 20 5 EBBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCCNC(=O)c1ccn(C)c(=O)c1 ZINC001161163012 831933996 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EBBDRO O=[N+]([O-])c1c(N2CC(O)(C(F)(F)F)C2)ncnc1N1CC[NH2+]CC1 ZINC001164161759 832173387 /nfs/dbraw/zinc/17/33/87/832173387.db2.gz MGGXGLSPFANQQO-UHFFFAOYSA-N 1 0 348.285 -0.092 20 5 EBBDRO COC(=O)C(C(=O)OC)c1ncc(NOCC[NH3+])cc1[N+](=O)[O-] ZINC001164424236 832186542 /nfs/dbraw/zinc/18/65/42/832186542.db2.gz SREXKWUOMMPHCU-UHFFFAOYSA-N 1 0 328.281 -0.278 20 5 EBBDRO CS(=O)(=O)NCC[NH2+]CC1(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001164494295 832191852 /nfs/dbraw/zinc/19/18/52/832191852.db2.gz DOBUAXVUMFTFTB-GHMZBOCLSA-N 1 0 348.425 -0.923 20 5 EBBDRO CN(C)/C=C/c1cc(N2CCNC(=O)C23C[NH2+]C3)ncc1[N+](=O)[O-] ZINC001165302112 832213455 /nfs/dbraw/zinc/21/34/55/832213455.db2.gz IWVLSELMWPIYAX-HWKANZROSA-N 1 0 332.364 -0.200 20 5 EBBDRO O=C1NC[C@@H]2CCN(c3ncnc(N4CC[NH2+]CC4)c3[N+](=O)[O-])C[C@H]12 ZINC001166981570 832305522 /nfs/dbraw/zinc/30/55/22/832305522.db2.gz VHUMDNVVUXPQCS-QWRGUYRKSA-N 1 0 347.379 -0.633 20 5 EBBDRO CN(CCC1OCCO1)c1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001167025969 832306694 /nfs/dbraw/zinc/30/66/94/832306694.db2.gz AEFVBKQARHANKU-UHFFFAOYSA-N 1 0 338.368 -0.006 20 5 EBBDRO Cc1ncc(C[NH3+])c(=N)n1-c1ncnc(N2CCOCC2)c1[N+](=O)[O-] ZINC001167673259 832362608 /nfs/dbraw/zinc/36/26/08/832362608.db2.gz SFNAAHXKSSRGOI-UHFFFAOYSA-N 1 0 346.351 -0.346 20 5 EBBDRO [NH3+][C@@H](CO)Cc1cncn1-c1ncnc(N2CCOCC2)c1[N+](=O)[O-] ZINC001169072167 832446559 /nfs/dbraw/zinc/44/65/59/832446559.db2.gz JUAUUYFALQYLNF-SNVBAGLBSA-N 1 0 349.351 -0.731 20 5 EBBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCCNC(=O)CCCCC(N)=O ZINC001170626382 832516354 /nfs/dbraw/zinc/51/63/54/832516354.db2.gz PVCSZCCIBJATKW-UHFFFAOYSA-N 1 0 340.384 -0.030 20 5 EBBDRO COCCOCCC(=O)NCCC[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC001177303940 832774189 /nfs/dbraw/zinc/77/41/89/832774189.db2.gz HFNFWCKXZNDKJT-UHFFFAOYSA-N 1 0 343.384 -0.023 20 5 EBBDRO CNC(=O)NC(=O)C[NH2+]CCCCCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001178458668 832867992 /nfs/dbraw/zinc/86/79/92/832867992.db2.gz QVCLYSHCNMJVRL-GHMZBOCLSA-N 1 0 343.384 -0.627 20 5 EBBDRO O=[N+]([O-])c1cnn(C[C@@H](O)CN2CC[NH+](CCCCCO)CC2)c1 ZINC001196554034 835431829 /nfs/dbraw/zinc/43/18/29/835431829.db2.gz IBHSNNNKJIEMSG-HNNXBMFYSA-N 1 0 341.412 -0.068 20 5 EBBDRO CNC(=O)CC(=O)N1CCC([NH2+]Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC001200230493 835931846 /nfs/dbraw/zinc/93/18/46/835931846.db2.gz AOLPQYWYYOFGQD-UHFFFAOYSA-N 1 0 338.368 -0.455 20 5 EBBDRO CC(C)(CO)[NH+]1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC001319488685 838138678 /nfs/dbraw/zinc/13/86/78/838138678.db2.gz GNTNNWDYXIOOPA-CYBMUJFWSA-N 1 0 327.385 -0.459 20 5 EBBDRO COC(=O)N1CCC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC001322157739 839145505 /nfs/dbraw/zinc/14/55/05/839145505.db2.gz JNTURBXOQABCRY-GFCCVEGCSA-N 1 0 327.341 -0.074 20 5 EBBDRO Cc1nc(C)c(C[NH2+]CCN(CCO)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])o1 ZINC001326024070 840006443 /nfs/dbraw/zinc/00/64/43/840006443.db2.gz RUZFWODZPGANRE-VXGBXAGGSA-N 1 0 326.353 -0.133 20 5 EBBDRO CN(CCC[NH+](C)C)CCNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC001330921008 841296112 /nfs/dbraw/zinc/29/61/12/841296112.db2.gz HZNIGRKPUNAQER-UHFFFAOYSA-N 1 0 339.396 -0.244 20 5 EBBDRO O=C(NCCO)C1CC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC001336773831 842540601 /nfs/dbraw/zinc/54/06/01/842540601.db2.gz NFDHNYDAIXCDFZ-UHFFFAOYSA-N 1 0 338.364 -0.423 20 5 EBBDRO CN(CCNS(C)(=O)=O)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC001339033547 842889914 /nfs/dbraw/zinc/88/99/14/842889914.db2.gz RAWUXEZPZJLUDN-LBPRGKRZSA-N 1 0 347.393 -0.185 20 5 EBBDRO CS(=O)(=O)CCC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001691144285 1125837271 /nfs/dbraw/zinc/83/72/71/1125837271.db2.gz OBZIUCTVQWTQLH-DDHJBXDOSA-N 1 0 333.410 -0.429 20 5 EBBDRO CNC(=O)C[NH2+]CCCOC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001485442227 1126717578 /nfs/dbraw/zinc/71/75/78/1126717578.db2.gz HVPRZNUARJUJOQ-CHWSQXEVSA-N 1 0 342.396 -0.615 20 5 EBBDRO O=C(NC1C[NH2+]C1)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000561256786 376200217 /nfs/dbraw/zinc/20/02/17/376200217.db2.gz LDLIXLQRKSJILQ-UHFFFAOYSA-N 1 0 333.348 -0.669 20 5 EBBDRO COCC[N@@H+]1CCC[C@@H](NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000609269561 375975203 /nfs/dbraw/zinc/97/52/03/375975203.db2.gz UBYHUMCDHDMGRL-GFCCVEGCSA-N 1 0 338.364 -0.017 20 5 EBBDRO CC[NH+](CC)CC(=O)N1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000285770078 375922029 /nfs/dbraw/zinc/92/20/29/375922029.db2.gz XYRQXDZNMZKSEB-UHFFFAOYSA-N 1 0 338.368 -0.056 20 5 EBBDRO CCn1cc(C[N@H+](CCO)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cn1 ZINC000361352313 376379435 /nfs/dbraw/zinc/37/94/35/376379435.db2.gz PJEMRIKRTVHJBB-AWEZNQCLSA-N 1 0 338.368 -0.137 20 5 EBBDRO CC(C)NC(=O)OC1CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000288777421 376654934 /nfs/dbraw/zinc/65/49/34/376654934.db2.gz ADUPTDDXZDIZDO-LLVKDONJSA-N 1 0 327.341 -0.029 20 5 EBBDRO Cn1cc(N2CC[C@@H]([NH2+]C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2=O)cn1 ZINC000562996414 377070762 /nfs/dbraw/zinc/07/07/62/377070762.db2.gz PWLSOMICFVNPQW-QWHCGFSZSA-N 1 0 349.351 -0.719 20 5 EBBDRO CS(=O)(=O)CC1(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCC1 ZINC000580064489 377349579 /nfs/dbraw/zinc/34/95/79/377349579.db2.gz GKRDKIADTAPGJI-LBPRGKRZSA-N 1 0 346.409 -0.043 20 5 EBBDRO [NH3+][C@H]1C[C@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CCN2C1=O ZINC000563441563 377436466 /nfs/dbraw/zinc/43/64/66/377436466.db2.gz MFGPARQGHPRFNR-JQWIXIFHSA-N 1 0 340.361 -0.473 20 5 EBBDRO C[NH+]1CCC(O)(CNS(=O)(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000593555523 377893060 /nfs/dbraw/zinc/89/30/60/377893060.db2.gz BZBZKKCXOMDOII-UHFFFAOYSA-N 1 0 330.366 -0.275 20 5 EBBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCCN2CCCOCC2)nc1 ZINC000593589323 377896770 /nfs/dbraw/zinc/89/67/70/377896770.db2.gz RYJSJQUCQMHTQB-UHFFFAOYSA-N 1 0 330.366 -0.010 20 5 EBBDRO C[NH+](C)CC[C@H](N)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000593902070 377920231 /nfs/dbraw/zinc/92/02/31/377920231.db2.gz NCWSGDPWWUIBLT-ZDUSSCGKSA-N 1 0 336.396 -0.083 20 5 EBBDRO O=[N+]([O-])c1cnn(C[C@H](O)CN2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000075590438 377905396 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O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C[C@@H]2CCCCN2CCO)c1 ZINC000573967432 379171922 /nfs/dbraw/zinc/17/19/22/379171922.db2.gz WWCQEGWALROPNY-JSGCOSHPSA-N 1 0 327.385 -0.411 20 5 EBBDRO O=C1N=NCN1C1CC[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000574023548 379224815 /nfs/dbraw/zinc/22/48/15/379224815.db2.gz NJDIYHUXFDPFGN-LBPRGKRZSA-N 1 0 337.340 -0.214 20 5 EBBDRO C[NH2+]CCCNC(=O)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000419849902 379344897 /nfs/dbraw/zinc/34/48/97/379344897.db2.gz ZYOVTULWLYWHKL-UHFFFAOYSA-N 1 0 349.391 -0.031 20 5 EBBDRO C[C@@H]1C[N@@H+](CCCNC(=O)Cn2cnc([N+](=O)[O-])n2)C[C@H](C)O1 ZINC000077250422 379327049 /nfs/dbraw/zinc/32/70/49/379327049.db2.gz XMYXQZNJROIMGX-PHIMTYICSA-N 1 0 326.357 -0.198 20 5 EBBDRO O=C(NCCc1ccccc1[N+](=O)[O-])C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000419043199 379337831 /nfs/dbraw/zinc/33/78/31/379337831.db2.gz QPNOMBIBCNVWGQ-BETUJISGSA-N 1 0 332.360 -0.069 20 5 EBBDRO COc1cc(S(=O)(=O)N2CCO[C@@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000370427969 379390311 /nfs/dbraw/zinc/39/03/11/379390311.db2.gz KTQWHAZIRZCQPZ-VIFPVBQESA-N 1 0 331.350 -0.048 20 5 EBBDRO CC[NH2+]CCNC(=O)C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000419882027 379348117 /nfs/dbraw/zinc/34/81/17/379348117.db2.gz BXFVECQSLWSEBM-UHFFFAOYSA-N 1 0 336.348 -0.090 20 5 EBBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000377514405 379446385 /nfs/dbraw/zinc/44/63/85/379446385.db2.gz YQHRTQVOLJRWBN-CHWSQXEVSA-N 1 0 336.348 -0.264 20 5 EBBDRO NC(=O)[C@@]1(O)CC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000276587606 379483299 /nfs/dbraw/zinc/48/32/99/379483299.db2.gz PKMQQRFZJTVBLB-QMTHXVAHSA-N 1 0 325.321 -0.743 20 5 EBBDRO O=C1N[C@H]2CC[N@@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C[C@@H]2CO1 ZINC000281245682 379521702 /nfs/dbraw/zinc/52/17/02/379521702.db2.gz GLIMCGQHNOKUIU-JLLWLGSASA-N 1 0 325.325 -0.418 20 5 EBBDRO C[C@@H]1C[C@@H](N2CCOCC2)C[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000352887980 379685424 /nfs/dbraw/zinc/68/54/24/379685424.db2.gz MCXHEJPFOFQDST-NFAWXSAZSA-N 1 0 339.396 -0.053 20 5 EBBDRO CCOC(=O)C1(O)CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000348540452 379808943 /nfs/dbraw/zinc/80/89/43/379808943.db2.gz WGAFJNBOLJITIR-GFCCVEGCSA-N 1 0 342.352 -0.458 20 5 EBBDRO NS(=O)(=O)c1ccc(NCCC(=O)NCCC[NH3+])c([N+](=O)[O-])c1 ZINC000269109693 380219572 /nfs/dbraw/zinc/21/95/72/380219572.db2.gz DDGSPNFCSSPTDJ-UHFFFAOYSA-N 1 0 345.381 -0.491 20 5 EBBDRO Cc1c(C(=O)N[C@H]2CC[NH2+]C2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000269130824 380220569 /nfs/dbraw/zinc/22/05/69/380220569.db2.gz KEQCBHLHJCIZIE-QMMMGPOBSA-N 1 0 328.350 -0.358 20 5 EBBDRO CC(C)(C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)N1CCOCC1 ZINC000574356119 380723052 /nfs/dbraw/zinc/72/30/52/380723052.db2.gz GWJXQFPYPDGYPJ-CYBMUJFWSA-N 1 0 327.385 -0.147 20 5 EBBDRO O=C(NCC[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccnc1 ZINC000580887865 381042711 /nfs/dbraw/zinc/04/27/11/381042711.db2.gz RORUECDGKCHPJP-CYBMUJFWSA-N 1 0 334.336 -0.433 20 5 EBBDRO C[NH+](C)C[C@H](O)CNC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000351183083 381274305 /nfs/dbraw/zinc/27/43/05/381274305.db2.gz LJPAEPMRJADEFU-LLVKDONJSA-N 1 0 328.300 -0.289 20 5 EBBDRO C[NH+](C)C[C@](C)(O)CNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000269831999 381326425 /nfs/dbraw/zinc/32/64/25/381326425.db2.gz AFLZZSGXNRCYIG-OAHLLOKOSA-N 1 0 338.364 -0.247 20 5 EBBDRO NC(=O)[C@]1([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCOC1 ZINC000576714899 381912572 /nfs/dbraw/zinc/91/25/72/381912572.db2.gz HYHCXBZUDGXSTJ-RISCZKNCSA-N 1 0 325.321 -0.432 20 5 EBBDRO NS(=O)(=O)NC[C@H]1CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176226213 154111912 /nfs/dbraw/zinc/11/19/12/154111912.db2.gz GCLFLQOVHKJNDZ-SNVBAGLBSA-N 1 0 332.386 -0.704 20 5 EBBDRO COc1ccc(S(=O)(=O)NC[C@H]2C[NH2+]CCO2)c([N+](=O)[O-])c1 ZINC000262054388 154210513 /nfs/dbraw/zinc/21/05/13/154210513.db2.gz DEVCASLYBAIZOS-SNVBAGLBSA-N 1 0 331.350 -0.130 20 5 EBBDRO CN(CC(=O)N[C@H]1CC[NH2+]C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000262501112 154235245 /nfs/dbraw/zinc/23/52/45/154235245.db2.gz CMWZUJPDDBQJJH-JTQLQIEISA-N 1 0 342.377 -0.307 20 5 EBBDRO C[C@H](C[NH3+])C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000262617169 154239555 /nfs/dbraw/zinc/23/95/55/154239555.db2.gz ZFVMHAJVMOBPIF-SECBINFHSA-N 1 0 330.366 -0.416 20 5 EBBDRO O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@@H]1CC[NH2+]C1 ZINC000262639207 154241237 /nfs/dbraw/zinc/24/12/37/154241237.db2.gz OFUTUXAZDOWWIQ-SNVBAGLBSA-N 1 0 342.377 -0.401 20 5 EBBDRO COc1ccc(S(=O)(=O)N2CCN(CC[NH3+])CC2)cc1[N+](=O)[O-] ZINC000262957289 154251067 /nfs/dbraw/zinc/25/10/67/154251067.db2.gz KHSTUJDAGYIAAW-UHFFFAOYSA-N 1 0 344.393 -0.132 20 5 EBBDRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000264736196 154291402 /nfs/dbraw/zinc/29/14/02/154291402.db2.gz QVZFICWNWSWRND-AWEZNQCLSA-N 1 0 349.391 -0.313 20 5 EBBDRO CN1CC[N@H+](C)C[C@@H]1CNc1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1 ZINC000264781778 154292854 /nfs/dbraw/zinc/29/28/54/154292854.db2.gz RABQVTFTJYAJFS-LBPRGKRZSA-N 1 0 343.409 -0.100 20 5 EBBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000274856440 154624762 /nfs/dbraw/zinc/62/47/62/154624762.db2.gz ZHBVNZSNDYGCAR-MFKMUULPSA-N 1 0 336.348 -0.101 20 5 EBBDRO C[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000292128900 155029511 /nfs/dbraw/zinc/02/95/11/155029511.db2.gz IOFURDLAAFLLRY-ZYHUDNBSSA-N 1 0 347.397 -0.882 20 5 EBBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000358190340 157227208 /nfs/dbraw/zinc/22/72/08/157227208.db2.gz BBLMOSBXUNUKPQ-CYBMUJFWSA-N 1 0 345.377 -0.052 20 5 EBBDRO CS(=O)(=O)c1ccc(N2CCN(C(=O)C[NH3+])CC2)c([N+](=O)[O-])c1 ZINC000262142189 419004931 /nfs/dbraw/zinc/00/49/31/419004931.db2.gz MFVCAKNECYIYQG-UHFFFAOYSA-N 1 0 342.377 -0.394 20 5 EBBDRO COc1ccc(S(=O)(=O)N2CCN(C)C[C@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC000321266996 419049440 /nfs/dbraw/zinc/04/94/40/419049440.db2.gz BDJOTLWGVGYQPO-SNVBAGLBSA-N 1 0 344.393 -0.133 20 5 EBBDRO C[C@@H](CNS(=O)(=O)c1cccnc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000525703046 419077032 /nfs/dbraw/zinc/07/70/32/419077032.db2.gz YVEJQNDTBZWMES-NSHDSACASA-N 1 0 343.409 -0.096 20 5 EBBDRO O=C(NCC1C[NH2+]C1)C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000419926176 420908337 /nfs/dbraw/zinc/90/83/37/420908337.db2.gz PNTYMMDJQHXCSB-UHFFFAOYSA-N 1 0 334.332 -0.480 20 5 EBBDRO C[C@@H](C[NH3+])NC(=O)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000420026490 420908357 /nfs/dbraw/zinc/90/83/57/420908357.db2.gz JNVJYWUQBIASCM-NSHDSACASA-N 1 0 335.364 -0.293 20 5 EBBDRO [NH3+][C@@H]1CCCN(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000422693913 420921932 /nfs/dbraw/zinc/92/19/32/420921932.db2.gz RUFDQGMJRXSPEY-SNVBAGLBSA-N 1 0 342.377 -0.177 20 5 EBBDRO O=C1NCCN1[C@@H]1CCC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000533492274 420932986 /nfs/dbraw/zinc/93/29/86/420932986.db2.gz JVAYLOCSXMQNEV-YPMHNXCESA-N 1 0 338.368 -0.358 20 5 EBBDRO COC[C@]1(CNC(=O)NCCn2cc([N+](=O)[O-])cn2)CCC[NH2+]1 ZINC000417913115 264818454 /nfs/dbraw/zinc/81/84/54/264818454.db2.gz PMHUHAMMICJOFU-CYBMUJFWSA-N 1 0 326.357 -0.141 20 5 EBBDRO O=C(NC[C@@H]1C[NH2+]CCO1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000423986932 265047116 /nfs/dbraw/zinc/04/71/16/265047116.db2.gz GUTKKGNKMFPKHN-LBPRGKRZSA-N 1 0 332.320 -0.106 20 5 EBBDRO CC(C)(C[NH3+])C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000429888985 265140891 /nfs/dbraw/zinc/14/08/91/265140891.db2.gz OOODFNGIYNUVMN-UHFFFAOYSA-N 1 0 344.393 -0.026 20 5 EBBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000434447495 265202950 /nfs/dbraw/zinc/20/29/50/265202950.db2.gz BKQVNHBTTRFFMA-CYBMUJFWSA-N 1 0 338.364 -0.281 20 5 EBBDRO O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@H]1CC[NH2+]1 ZINC000444148056 265359901 /nfs/dbraw/zinc/35/99/01/265359901.db2.gz AIMHIKZMHZTQBT-LLVKDONJSA-N 1 0 328.350 -0.649 20 5 EBBDRO O=C(N[C@H]1CC[NH2+]C1)C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000419887013 272815809 /nfs/dbraw/zinc/81/58/09/272815809.db2.gz PVIRZKRQIFAYIK-JTQLQIEISA-N 1 0 334.332 -0.338 20 5 EBBDRO CN1CCN(C(=O)NCCn2cc([N+](=O)[O-])cn2)CC[N@H+](C)CC1 ZINC000893751819 582609030 /nfs/dbraw/zinc/60/90/30/582609030.db2.gz GUMZCHMKJGKTCW-UHFFFAOYSA-N 1 0 339.400 -0.320 20 5 EBBDRO C[C@@H]([NH3+])CNC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000842230014 584061398 /nfs/dbraw/zinc/06/13/98/584061398.db2.gz OUNAXNXJIDJLKG-LLVKDONJSA-N 1 0 335.364 -0.293 20 5 EBBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@H](CO)CN2CCOCC2)c1 ZINC000843116985 584071562 /nfs/dbraw/zinc/07/15/62/584071562.db2.gz XMMLHSMKEZUJGL-ZFWWWQNUSA-N 1 0 325.365 -0.089 20 5 EBBDRO O=C1O[C@@H](C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CN1C1CC1 ZINC000848679455 584160331 /nfs/dbraw/zinc/16/03/31/584160331.db2.gz VVPPSBOUYZLNQH-RYUDHWBXSA-N 1 0 325.325 -0.275 20 5 EBBDRO O=C(NC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)C12CC[NH+](CC1)C2 ZINC000946705451 653194995 /nfs/dbraw/zinc/19/49/95/653194995.db2.gz AQNOIPASAWFKPK-CHWSQXEVSA-N 1 0 336.392 -0.145 20 5 EBBDRO CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000967950892 724938863 /nfs/dbraw/zinc/93/88/63/724938863.db2.gz ZMFUQBWAXHQSHZ-CHWSQXEVSA-N 1 0 336.392 -0.193 20 5 EBBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC([NH2+]CCN2CCNC2=O)CC1 ZINC000996428455 726392231 /nfs/dbraw/zinc/39/22/31/726392231.db2.gz DXTSHKTXDGJABK-VXGBXAGGSA-N 1 0 325.369 -0.743 20 5 EBBDRO O=C(NCC1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)C12CCC[NH+]1CCC2 ZINC001003298881 726668449 /nfs/dbraw/zinc/66/84/49/726668449.db2.gz RQOUPHHAPDJREO-CHWSQXEVSA-N 1 0 336.392 -0.145 20 5 EBBDRO C[NH+](C)CCCC(=O)N1C[C@@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@@H]2C1 ZINC001055331892 736333706 /nfs/dbraw/zinc/33/37/06/736333706.db2.gz SQQKBZUXMJBOAF-XJFOESAGSA-N 1 0 338.408 -0.090 20 5 EBBDRO C[NH+]1CCC(C(=O)N2CCN(c3ncc([N+](=O)[O-])c(N)n3)CC2)CC1 ZINC001055840039 736513350 /nfs/dbraw/zinc/51/33/50/736513350.db2.gz LJNGVYHFWQSNLN-UHFFFAOYSA-N 1 0 349.395 -0.043 20 5 EBBDRO C[NH+](C)CCCCC(=O)N(CCO)CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001058237238 737727015 /nfs/dbraw/zinc/72/70/15/737727015.db2.gz VNKCILCKQDHIJW-CHWSQXEVSA-N 1 0 344.412 -0.679 20 5 EBBDRO CC(=O)Nc1nc2[nH]cnc2c(OC(=O)C[C@@H](O)C[N+](C)(C)C)n1 ZINC001225830832 811832001 /nfs/dbraw/zinc/83/20/01/811832001.db2.gz VAVSJXKFURTTGP-SECBINFHSA-O 1 0 337.360 -0.326 20 5 EBBDRO [NH3+]C[C@H]1CN(C(=O)C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)CCO1 ZINC001261424215 812905187 /nfs/dbraw/zinc/90/51/87/812905187.db2.gz PQIOHHXRSPARLF-ZDUSSCGKSA-N 1 0 334.332 -0.377 20 5 EBBDRO CN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)CC1CC[NH+](C)CC1 ZINC001284522721 819270710 /nfs/dbraw/zinc/27/07/10/819270710.db2.gz XRTQZWOLJVQPEO-CHWSQXEVSA-N 1 0 326.397 -0.042 20 5 EBBDRO C[N@H+](CCCO)C1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC1 ZINC001116390223 826617326 /nfs/dbraw/zinc/61/73/26/826617326.db2.gz ZJNXYRFSUIPMNJ-UHFFFAOYSA-N 1 0 326.357 -0.509 20 5 EBBDRO [NH3+]C[C@@H](NC(=O)C(=O)NCCOc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001118034531 826840895 /nfs/dbraw/zinc/84/08/95/826840895.db2.gz DSHJDPHZVINUEO-CYBMUJFWSA-N 1 0 336.348 -0.057 20 5 EBBDRO Cn1cc(N2CC[C@H]([NH2+]C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)cn1 ZINC001118149404 826860343 /nfs/dbraw/zinc/86/03/43/826860343.db2.gz FYMVAPLJEDAWIR-FZMZJTMJSA-N 1 0 335.368 -0.246 20 5 EBBDRO C[C@H](C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC001142674895 830134518 /nfs/dbraw/zinc/13/45/18/830134518.db2.gz WMALZAZCNDGNMP-SNVBAGLBSA-N 1 0 344.393 -0.061 20 5 EBBDRO Cc1nn(CC(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])c(=O)n1C ZINC001149576542 830701233 /nfs/dbraw/zinc/70/12/33/830701233.db2.gz HULLRNNASCWNAL-UHFFFAOYSA-N 1 0 348.363 -0.296 20 5 EBBDRO CN1CCO[C@@H](CNc2ncnc(N3CC[NH2+]CC3)c2[N+](=O)[O-])C1 ZINC001155193336 831390221 /nfs/dbraw/zinc/39/02/21/831390221.db2.gz DZILSFTYMYKEDG-NSHDSACASA-N 1 0 337.384 -0.463 20 5 EBBDRO CCNC(=O)CCC(=O)NCCC[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC001155666825 831420620 /nfs/dbraw/zinc/42/06/20/831420620.db2.gz GAWBWJMYQVXFLK-UHFFFAOYSA-N 1 0 340.384 -0.160 20 5 EBBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCCNC(=O)CCn1ccnn1 ZINC001157100735 831534508 /nfs/dbraw/zinc/53/45/08/831534508.db2.gz NTTYMDHXRLDELE-UHFFFAOYSA-N 1 0 336.356 -0.394 20 5 EBBDRO Cc1nnc(CC(=O)NCCC[NH2+]Cc2c([N+](=O)[O-])ncn2C)o1 ZINC001157479768 831570198 /nfs/dbraw/zinc/57/01/98/831570198.db2.gz HQLFSFGDRGERBY-UHFFFAOYSA-N 1 0 337.340 -0.142 20 5 EBBDRO CC(C)CNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157775627 831593249 /nfs/dbraw/zinc/59/32/49/831593249.db2.gz SMHJDLOARASEHW-GHMZBOCLSA-N 1 0 343.384 -0.771 20 5 EBBDRO CCOC(=O)CN(CC[NH3+])c1nc(OC)c([N+](=O)[O-])c(OC)n1 ZINC001159864373 831789867 /nfs/dbraw/zinc/78/98/67/831789867.db2.gz SRGMTCKHFDEJAO-UHFFFAOYSA-N 1 0 329.313 -0.270 20 5 EBBDRO COC(=O)c1ncc([N+](=O)[O-])c(C)c1N(CC[NH3+])S(C)(=O)=O ZINC001162127274 832020702 /nfs/dbraw/zinc/02/07/02/832020702.db2.gz TXMJFTZFKVLWNG-UHFFFAOYSA-N 1 0 332.338 -0.190 20 5 EBBDRO O=[N+]([O-])c1cnc(NCCN2CCCS2(=O)=O)nc1C1C[NH2+]C1 ZINC001162783173 832063243 /nfs/dbraw/zinc/06/32/43/832063243.db2.gz QZQRVSYWAKOWFA-UHFFFAOYSA-N 1 0 342.381 -0.481 20 5 EBBDRO O=[N+]([O-])c1c(NC[C@@]23C[NH2+][C@@H](CO2)C3)ncnc1N1CCOCC1 ZINC001163192869 832088131 /nfs/dbraw/zinc/08/81/31/832088131.db2.gz FTEOVOAGHRCJFR-QMTHXVAHSA-N 1 0 336.352 -0.236 20 5 EBBDRO O=[N+]([O-])c1c(N2CC[NH2+]CC2)ncnc1N1C[C@H](F)C[C@H](CO)C1 ZINC001164040418 832168865 /nfs/dbraw/zinc/16/88/65/832168865.db2.gz OIJVBRQJAWXVJI-WDEREUQCSA-N 1 0 340.359 -0.049 20 5 EBBDRO CC[N@H+](C)C(C)(C)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001354085576 832462437 /nfs/dbraw/zinc/46/24/37/832462437.db2.gz HAHNWRSIZOQSKI-LBELIVKGSA-N 1 0 338.408 -0.045 20 5 EBBDRO CNC(=O)NC[C@H]1CCCC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001175361372 832622389 /nfs/dbraw/zinc/62/23/89/832622389.db2.gz HPKPDNIVMZJYQK-YPMHNXCESA-N 1 0 340.384 -0.064 20 5 EBBDRO CS(=O)(=O)CC[NH2+]CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001205224072 836555728 /nfs/dbraw/zinc/55/57/28/836555728.db2.gz LMMVLXDETUQGGH-VXGBXAGGSA-N 1 0 333.410 -0.476 20 5 EBBDRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)c2[nH]ncc2[N+](=O)[O-])CC1 ZINC001319606402 838158131 /nfs/dbraw/zinc/15/81/31/838158131.db2.gz HJXDRBUUKJJRKA-UHFFFAOYSA-N 1 0 338.368 -0.010 20 5 EBBDRO C[NH+](C)C[C@]1(O)CCCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C1 ZINC001321617632 839034069 /nfs/dbraw/zinc/03/40/69/839034069.db2.gz BMADBSBWZKWGKN-OAHLLOKOSA-N 1 0 338.364 -0.328 20 5 EBBDRO COCC[N@H+](C)CCCNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC001322843911 839284290 /nfs/dbraw/zinc/28/42/90/839284290.db2.gz AWWAKPIUOZXUCN-UHFFFAOYSA-N 1 0 326.353 -0.159 20 5 EBBDRO CCN(CC[NH2+]CCN1CCCS1(=O)=O)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001482925076 1126303062 /nfs/dbraw/zinc/30/30/62/1126303062.db2.gz QRVSCMCYJHWDSL-VXGBXAGGSA-N 1 0 348.425 -0.875 20 5 EBBDRO O=C(NCC1([NH2+]CCN2CCNC2=O)CCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001484635200 1126612208 /nfs/dbraw/zinc/61/22/08/1126612208.db2.gz YTEVLSIBICXNBL-GHMZBOCLSA-N 1 0 325.369 -0.695 20 5 EBBDRO Cc1cnc(C[NH2+]CC2(O)CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cn1 ZINC001484952299 1126657499 /nfs/dbraw/zinc/65/74/99/1126657499.db2.gz ARLMTWGXXNNHJA-ZIAGYGMSSA-N 1 0 349.391 -0.107 20 5 EBBDRO COc1ccc(CC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cc1[N+](=O)[O-] ZINC000584183563 376218536 /nfs/dbraw/zinc/21/85/36/376218536.db2.gz NGWRCNPUXHDTLR-RYUDHWBXSA-N 1 0 348.359 -0.084 20 5 EBBDRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000338961161 376632785 /nfs/dbraw/zinc/63/27/85/376632785.db2.gz JCRWFNRVCHGRCI-NSHDSACASA-N 1 0 338.368 -0.505 20 5 EBBDRO CS(=O)(=O)CC1(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCC1 ZINC000580064488 377348757 /nfs/dbraw/zinc/34/87/57/377348757.db2.gz GKRDKIADTAPGJI-GFCCVEGCSA-N 1 0 346.409 -0.043 20 5 EBBDRO O=C(CCNc1ccccc1[N+](=O)[O-])NCC(=O)N1CC[NH2+]CC1 ZINC000566751474 377607542 /nfs/dbraw/zinc/60/75/42/377607542.db2.gz VGLOPCRLHFLRJU-UHFFFAOYSA-N 1 0 335.364 -0.055 20 5 EBBDRO NS(=O)(=O)c1c([N+](=O)[O-])cccc1N1CCN2CCOC[C@@H]2C1 ZINC000541593461 377610205 /nfs/dbraw/zinc/61/02/05/377610205.db2.gz KLSDPHKLMINCMH-JTQLQIEISA-N 1 0 342.377 -0.237 20 5 EBBDRO C[C@@H]([NH3+])CNC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000591347906 377708870 /nfs/dbraw/zinc/70/88/70/377708870.db2.gz YGZXREKFBUFUSK-SECBINFHSA-N 1 0 345.381 -0.481 20 5 EBBDRO COC(=O)[C@@H]1C[C@H](O)C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000592195984 377802408 /nfs/dbraw/zinc/80/24/08/377802408.db2.gz IVOAOFFGNFJJNG-USWWRNFRSA-N 1 0 328.325 -0.992 20 5 EBBDRO CN(CCN1CC[NH2+]CC1)S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000592982689 377868142 /nfs/dbraw/zinc/86/81/42/377868142.db2.gz FIZNTSOQEHXGFI-UHFFFAOYSA-N 1 0 329.382 -0.485 20 5 EBBDRO CCn1cc(S(=O)(=O)N(C)CCN2CC[NH2+]CC2)c([N+](=O)[O-])n1 ZINC000592983023 377868678 /nfs/dbraw/zinc/86/86/78/377868678.db2.gz RBYSXYLUHHPOOF-UHFFFAOYSA-N 1 0 346.413 -0.663 20 5 EBBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C[C@H](O)Cn1ccnn1 ZINC000566974225 377889696 /nfs/dbraw/zinc/88/96/96/377889696.db2.gz VENKVYHPKKMQIM-NWDGAFQWSA-N 1 0 337.336 -0.423 20 5 EBBDRO COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)Cn1cc([N+](=O)[O-])nc1C ZINC000592554347 377842552 /nfs/dbraw/zinc/84/25/52/377842552.db2.gz LLHWVQGCLGNWMS-JTQLQIEISA-N 1 0 325.325 -0.537 20 5 EBBDRO CCCc1n[nH]c(C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)c1[N+](=O)[O-] ZINC000594878996 377965145 /nfs/dbraw/zinc/96/51/45/377965145.db2.gz QSMGQWVTEGRUQV-DTWKUNHWSA-N 1 0 336.352 -0.346 20 5 EBBDRO CN(CC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1)c1ccccc1[N+](=O)[O-] ZINC000594885707 377966850 /nfs/dbraw/zinc/96/68/50/377966850.db2.gz CNVWHAGGONMSGQ-NEPJUHHUSA-N 1 0 347.375 -0.199 20 5 EBBDRO [NH3+][C@@H]1C[C@H]2CN(C(=O)COc3ccccc3[N+](=O)[O-])CCN2C1=O ZINC000594873631 377969073 /nfs/dbraw/zinc/96/90/73/377969073.db2.gz DJIDUFJZHYGREZ-WDEREUQCSA-N 1 0 334.332 -0.256 20 5 EBBDRO CN(C)C(=O)N(C)[C@@H]1CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000595826889 378029850 /nfs/dbraw/zinc/02/98/50/378029850.db2.gz PNHSOACLYIHHQQ-YPMHNXCESA-N 1 0 340.384 -0.160 20 5 EBBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(CC[NH3+])C[C@@H](O)CO ZINC000595901612 378034412 /nfs/dbraw/zinc/03/44/12/378034412.db2.gz YXJNDDUKPGQBKR-GFCCVEGCSA-N 1 0 326.353 -0.544 20 5 EBBDRO [NH3+]CCN(CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C[C@@H](O)CO ZINC000595901509 378034483 /nfs/dbraw/zinc/03/44/83/378034483.db2.gz XNIGNVNJFCIXQR-SNVBAGLBSA-N 1 0 346.771 -0.199 20 5 EBBDRO C[NH+](C)CC(=O)N1CCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)CC1 ZINC000596072702 378052504 /nfs/dbraw/zinc/05/25/04/378052504.db2.gz FTPBEOCYXNSUIY-UHFFFAOYSA-N 1 0 335.364 -0.096 20 5 EBBDRO Cc1nn(C)c(C(=O)N(CC[NH+](C)C)CC(=O)N(C)C)c1[N+](=O)[O-] ZINC000598185279 378158049 /nfs/dbraw/zinc/15/80/49/378158049.db2.gz IJTPZQVRZYTWDR-UHFFFAOYSA-N 1 0 340.384 -0.271 20 5 EBBDRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000598186027 378158071 /nfs/dbraw/zinc/15/80/71/378158071.db2.gz RJDUAJHDLISQQK-UHFFFAOYSA-N 1 0 339.352 -0.213 20 5 EBBDRO COC[C@@](C)([NH3+])CNc1ncnc(N2CCOCC2)c1[N+](=O)[O-] ZINC000598598802 378172510 /nfs/dbraw/zinc/17/25/10/378172510.db2.gz VZMDUESUYNAWDY-ZDUSSCGKSA-N 1 0 326.357 -0.003 20 5 EBBDRO COC(=O)[C@]1(OC)CC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000599562937 378258745 /nfs/dbraw/zinc/25/87/45/378258745.db2.gz KJXVNPQOSPOLMX-YPMHNXCESA-N 1 0 328.325 -0.584 20 5 EBBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000568848719 378441732 /nfs/dbraw/zinc/44/17/32/378441732.db2.gz FQNDZDWKXNBOLE-TXEJJXNPSA-N 1 0 348.359 -0.232 20 5 EBBDRO CC(C)(C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1)n1cc([N+](=O)[O-])cn1 ZINC000569002095 378445537 /nfs/dbraw/zinc/44/55/37/378445537.db2.gz XCZWDPYBZJNVIP-MWLCHTKSSA-N 1 0 336.352 -0.703 20 5 EBBDRO CC(C)(C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)NS(C)(=O)=O ZINC000316220064 378500087 /nfs/dbraw/zinc/50/00/87/378500087.db2.gz DRDLPNOKSKKHEN-SNVBAGLBSA-N 1 0 335.386 -0.930 20 5 EBBDRO CNC(=O)c1ccc(N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000571418638 378550734 /nfs/dbraw/zinc/55/07/34/378550734.db2.gz XGFGODOUDYCOSH-GHMZBOCLSA-N 1 0 333.348 -0.297 20 5 EBBDRO O=C1CN(CC[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCN1 ZINC000571517145 378553216 /nfs/dbraw/zinc/55/32/16/378553216.db2.gz GYYIDYDDBBJNRF-CYBMUJFWSA-N 1 0 338.364 -0.644 20 5 EBBDRO COC[C@H](O)C[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000571994360 378565377 /nfs/dbraw/zinc/56/53/77/378565377.db2.gz OWKSZCMAYRHVLA-SNVBAGLBSA-N 1 0 333.366 -0.530 20 5 EBBDRO CCOC[C@@H](O)C[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000573833915 379107326 /nfs/dbraw/zinc/10/73/26/379107326.db2.gz JPEYVUDYIJNREQ-LBPRGKRZSA-N 1 0 347.393 -0.140 20 5 EBBDRO [NH3+]CCCNC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000417705639 379326913 /nfs/dbraw/zinc/32/69/13/379326913.db2.gz VARQRVDKNYJLKR-UHFFFAOYSA-N 1 0 345.381 -0.479 20 5 EBBDRO C[C@@H](NC(=O)C(=O)N(C)[C@H]1C[NH2+]C[C@@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000418774585 379334695 /nfs/dbraw/zinc/33/46/95/379334695.db2.gz DCGSRSYYGHRFMX-ICCXJUOJSA-N 1 0 336.348 -0.437 20 5 EBBDRO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000419457899 379340846 /nfs/dbraw/zinc/34/08/46/379340846.db2.gz ATACOKXHIYCCPI-JTQLQIEISA-N 1 0 326.357 -0.603 20 5 EBBDRO CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000419462847 379341223 /nfs/dbraw/zinc/34/12/23/379341223.db2.gz KFBTXVLFCVESDJ-NSHDSACASA-N 1 0 338.368 -0.492 20 5 EBBDRO C[C@@H]1CCCN(C(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)[C@H]1C[NH3+] ZINC000419469895 379341282 /nfs/dbraw/zinc/34/12/82/379341282.db2.gz XFKBTDWUYSQCBX-PWSUYJOCSA-N 1 0 338.368 -0.507 20 5 EBBDRO CN1CC[NH2+]C[C@H]1CNS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000420448438 379353027 /nfs/dbraw/zinc/35/30/27/379353027.db2.gz DVFHUKPZBASUCQ-ZDUSSCGKSA-N 1 0 342.421 -0.040 20 5 EBBDRO CN1CC[NH2+]C[C@@H]1CNS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000420465268 379353263 /nfs/dbraw/zinc/35/32/63/379353263.db2.gz YKDHBMRAPFJNFU-CQSZACIVSA-N 1 0 342.421 -0.040 20 5 EBBDRO O=C(NCCn1cc([N+](=O)[O-])cn1)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000372037838 379412029 /nfs/dbraw/zinc/41/20/29/379412029.db2.gz QUGZYBSLRAAPCL-YPMHNXCESA-N 1 0 338.368 -0.046 20 5 EBBDRO CCC[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CC(=O)N(C)C1=O ZINC000282402264 379539419 /nfs/dbraw/zinc/53/94/19/379539419.db2.gz FIPUAAIVKFRFCW-NEPJUHHUSA-N 1 0 339.352 -0.379 20 5 EBBDRO [NH3+]CCC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000489939844 379560812 /nfs/dbraw/zinc/56/08/12/379560812.db2.gz QJZIGINNTLLUSI-UHFFFAOYSA-N 1 0 342.377 -0.224 20 5 EBBDRO C[C@H]1CN(c2cccc(S(N)(=O)=O)c2[N+](=O)[O-])CCN1CCO ZINC000490046944 379562786 /nfs/dbraw/zinc/56/27/86/379562786.db2.gz WRKWFQSVOAFLRY-JTQLQIEISA-N 1 0 344.393 -0.255 20 5 EBBDRO C[NH+]1CCN(CCNc2cccc([N+](=O)[O-])c2S(N)(=O)=O)CC1 ZINC000603930708 379694319 /nfs/dbraw/zinc/69/43/19/379694319.db2.gz HYAFUBFJIAYIDA-UHFFFAOYSA-N 1 0 343.409 -0.099 20 5 EBBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]CCN1CC[C@@H](O)C1 ZINC000600756203 379658053 /nfs/dbraw/zinc/65/80/53/379658053.db2.gz FTEWPQXCEBFYHK-OLZOCXBDSA-N 1 0 325.365 -0.009 20 5 EBBDRO CC[C@H](CO)[NH+]1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000075962716 379745232 /nfs/dbraw/zinc/74/52/32/379745232.db2.gz ADVDWYGOFYLADO-OCCSQVGLSA-N 1 0 327.385 -0.459 20 5 EBBDRO Cc1c(C(=O)N2CC[NH2+][C@H](C)C2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000269202778 380246644 /nfs/dbraw/zinc/24/66/44/380246644.db2.gz KVBCEARALQYMRZ-MRVPVSSYSA-N 1 0 342.377 -0.015 20 5 EBBDRO Cc1c(C(=O)N(C)[C@H](C)C[NH3+])cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000269180959 380238422 /nfs/dbraw/zinc/23/84/22/380238422.db2.gz DHYXVUWESFTEOS-SSDOTTSWSA-N 1 0 330.366 -0.030 20 5 EBBDRO O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000574874308 380990082 /nfs/dbraw/zinc/99/00/82/380990082.db2.gz MXKJPAWKFGDKAL-ZDUSSCGKSA-N 1 0 336.348 -0.042 20 5 EBBDRO C[NH+](C)[C@H]1CN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@@H]1O ZINC000582763616 381067140 /nfs/dbraw/zinc/06/71/40/381067140.db2.gz OLHPMHWGYSSVQA-UBHSHLNASA-N 1 0 325.365 -0.059 20 5 EBBDRO CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)C(=O)NCC[NH+](C)C)n1 ZINC000580782494 381036215 /nfs/dbraw/zinc/03/62/15/381036215.db2.gz BMUNWRMXYMKEPP-VIFPVBQESA-N 1 0 326.357 -0.393 20 5 EBBDRO [NH3+][C@@H]1C[C@@H]2CN(C(=O)CNc3ccccc3[N+](=O)[O-])CCN2C1=O ZINC000582976370 381091847 /nfs/dbraw/zinc/09/18/47/381091847.db2.gz WXTJBQOTOOZKJB-GHMZBOCLSA-N 1 0 333.348 -0.223 20 5 EBBDRO NC(=O)c1ccc(CN2C(=O)N[C@]3(CCC[NH2+]C3)C2=O)c([N+](=O)[O-])c1 ZINC000583750982 381132415 /nfs/dbraw/zinc/13/24/15/381132415.db2.gz WNVUSZLFKTZHTL-HNNXBMFYSA-N 1 0 347.331 -0.132 20 5 EBBDRO CC(C)[NH2+]C1(CO)CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000584728774 381204973 /nfs/dbraw/zinc/20/49/73/381204973.db2.gz WBPQFVXXEXIMJF-AWEZNQCLSA-N 1 0 341.412 -0.023 20 5 EBBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000619496779 381294758 /nfs/dbraw/zinc/29/47/58/381294758.db2.gz NRPUISZHKHFOSY-ZDUSSCGKSA-N 1 0 345.377 -0.052 20 5 EBBDRO COC(=O)C[C@H]([NH3+])C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000583627981 381605262 /nfs/dbraw/zinc/60/52/62/381605262.db2.gz JXSRUNUWUSGADU-NSHDSACASA-N 1 0 337.336 -0.471 20 5 EBBDRO [NH3+][C@@H]1C[C@@H]2CN(c3cc4nc[nH]c(=O)c4cc3[N+](=O)[O-])CCN2C1=O ZINC000580465404 381759366 /nfs/dbraw/zinc/75/93/66/381759366.db2.gz HNOYPPMGPXGNJS-PSASIEDQSA-N 1 0 344.331 -0.008 20 5 EBBDRO NC(=O)[C@@]1([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCOC1 ZINC000576714900 381912342 /nfs/dbraw/zinc/91/23/42/381912342.db2.gz HYHCXBZUDGXSTJ-SMDDNHRTSA-N 1 0 325.321 -0.432 20 5 EBBDRO C[C@@H]([NH3+])C(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000261828214 154201718 /nfs/dbraw/zinc/20/17/18/154201718.db2.gz MZVGYVFVSLLFGF-SNVBAGLBSA-N 1 0 342.377 -0.225 20 5 EBBDRO CS(=O)(=O)c1ccc(NCCNC(=O)CC[NH3+])c([N+](=O)[O-])c1 ZINC000262424212 154230215 /nfs/dbraw/zinc/23/02/15/154230215.db2.gz GURUYRWLXUHWTB-UHFFFAOYSA-N 1 0 330.366 -0.125 20 5 EBBDRO [NH3+]CCCC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000262426654 154231668 /nfs/dbraw/zinc/23/16/68/154231668.db2.gz HVLXVOSLVYASCE-UHFFFAOYSA-N 1 0 330.366 -0.272 20 5 EBBDRO [NH3+]CCCC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000262471102 154233118 /nfs/dbraw/zinc/23/31/18/154233118.db2.gz OAXXWJLCHYVYKP-UHFFFAOYSA-N 1 0 330.366 -0.272 20 5 EBBDRO CN(CC(=O)N[C@@H]1CC[NH2+]C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000262501115 154235054 /nfs/dbraw/zinc/23/50/54/154235054.db2.gz CMWZUJPDDBQJJH-SNVBAGLBSA-N 1 0 342.377 -0.307 20 5 EBBDRO C[NH2+]CCC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000262530971 154236191 /nfs/dbraw/zinc/23/61/91/154236191.db2.gz MAUUSSKPGIOMPE-UHFFFAOYSA-N 1 0 330.366 -0.401 20 5 EBBDRO C[NH2+]CC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000263248085 154256385 /nfs/dbraw/zinc/25/63/85/154256385.db2.gz NPSBJKVAOYOXJI-UHFFFAOYSA-N 1 0 342.377 -0.353 20 5 EBBDRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000264550629 154284076 /nfs/dbraw/zinc/28/40/76/154284076.db2.gz OWMSKEFTQUHKJQ-LBPRGKRZSA-N 1 0 338.368 -0.363 20 5 EBBDRO Cc1nn(CCC(=O)NC[C@]2(O)CC[N@@H+](C)C2)c(C)c1[N+](=O)[O-] ZINC000358056136 157204614 /nfs/dbraw/zinc/20/46/14/157204614.db2.gz ZQSWDSFDYDZDIV-CQSZACIVSA-N 1 0 325.369 -0.019 20 5 EBBDRO [NH3+]C[C@@H]1CN(CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)CCO1 ZINC000358114367 157212948 /nfs/dbraw/zinc/21/29/48/157212948.db2.gz DUSHSEDKTZJRAS-SECBINFHSA-N 1 0 338.320 -0.079 20 5 EBBDRO CNS(=O)(=O)c1ccc(NC[C@@]2(O)CC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC000358332549 157233482 /nfs/dbraw/zinc/23/34/82/157233482.db2.gz UDOJHRFUWPBVPQ-ZDUSSCGKSA-N 1 0 344.393 -0.019 20 5 EBBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)NCC(=O)N1CC[NH2+]CC1 ZINC000516554271 419091468 /nfs/dbraw/zinc/09/14/68/419091468.db2.gz KFDGCPHNCWAPGX-UHFFFAOYSA-N 1 0 335.364 -0.132 20 5 EBBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000340969594 419136045 /nfs/dbraw/zinc/13/60/45/419136045.db2.gz SRHFTRBKQCMMTP-NSHDSACASA-N 1 0 338.368 -0.444 20 5 EBBDRO CN1CCO[C@@H](C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)C1 ZINC000296994937 419967127 /nfs/dbraw/zinc/96/71/27/419967127.db2.gz QMUMMNFZLMZCEF-CYBMUJFWSA-N 1 0 335.364 -0.031 20 5 EBBDRO O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])N[C@H]1CCC[NH2+]C1 ZINC000422728171 420921601 /nfs/dbraw/zinc/92/16/01/420921601.db2.gz IUNPMWHRJJDJAL-JTQLQIEISA-N 1 0 342.377 -0.259 20 5 EBBDRO CCOC(=O)N1CC[C@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000496253008 420947807 /nfs/dbraw/zinc/94/78/07/420947807.db2.gz IGLPDUBQQNUVGI-CMPLNLGQSA-N 1 0 327.341 -0.027 20 5 EBBDRO O=C(C(=O)N1CC[NH2+]CC1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000423582457 265014442 /nfs/dbraw/zinc/01/44/42/265014442.db2.gz XMRGPABLNWEELE-UHFFFAOYSA-N 1 0 334.332 -0.384 20 5 EBBDRO CN(C(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-])C1CC([NH3+])C1 ZINC000423706894 265033620 /nfs/dbraw/zinc/03/36/20/265033620.db2.gz NKKWEWMVRACDSY-UHFFFAOYSA-N 1 0 342.377 -0.179 20 5 EBBDRO O=C(N[C@@H]1CC[NH2+]C1)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000419893320 272816440 /nfs/dbraw/zinc/81/64/40/272816440.db2.gz VFWHOLCLCZWUPL-GFCCVEGCSA-N 1 0 347.375 -0.279 20 5 EBBDRO [NH3+][C@@H]1C[C@H]2CN(C(=O)C(=O)Nc3cccc([N+](=O)[O-])c3)CCN2C1=O ZINC000521463791 272894174 /nfs/dbraw/zinc/89/41/74/272894174.db2.gz DIUFZZJDDIVSDJ-NWDGAFQWSA-N 1 0 347.331 -0.696 20 5 EBBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@@H](O)CN2CCOCC2)cc1 ZINC000746286179 583104758 /nfs/dbraw/zinc/10/47/58/583104758.db2.gz NKGIMFUUTHTQIU-HUUCEWRRSA-N 1 0 325.365 -0.089 20 5 EBBDRO O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)NCCN1CC[NH2+]CC1 ZINC000832397864 583997882 /nfs/dbraw/zinc/99/78/82/583997882.db2.gz FATDTXWGQGQPQB-UHFFFAOYSA-N 1 0 332.364 -0.034 20 5 EBBDRO [NH3+]CCCNC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000842221871 584060925 /nfs/dbraw/zinc/06/09/25/584060925.db2.gz APOJFPUZZFRCJF-UHFFFAOYSA-N 1 0 335.364 -0.292 20 5 EBBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC2(CC1)C[N@H+](CCCO)CCO2 ZINC000949365722 653873898 /nfs/dbraw/zinc/87/38/98/653873898.db2.gz CDAACWFMBIOBRS-CHWSQXEVSA-N 1 0 327.381 -0.273 20 5 EBBDRO Cn1cnnc1C[NH2+]C1CC2(CC(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 ZINC000963788951 723486883 /nfs/dbraw/zinc/48/68/83/723486883.db2.gz UURUKYZMTCKNBB-ZQUIDFRUSA-N 1 0 334.380 -0.003 20 5 EBBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2nnc3n2CCOC3)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001020138973 729081733 /nfs/dbraw/zinc/08/17/33/729081733.db2.gz KJVLKZUKTZSDAV-GWOFURMSSA-N 1 0 336.352 -0.790 20 5 EBBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1C[C@@H](NC(=O)c2c[nH]c(=O)cn2)C1 ZINC001022615136 729518919 /nfs/dbraw/zinc/51/89/19/729518919.db2.gz CMAMDTMEHFBULO-DTORHVGOSA-N 1 0 347.335 -0.538 20 5 EBBDRO O=C(Cn1cnnn1)N[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC001025671496 730066110 /nfs/dbraw/zinc/06/61/10/730066110.db2.gz CJVMEZSIZCGOMM-JYAVWHMHSA-N 1 0 343.347 -0.172 20 5 EBBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]C[C@H]1CC[C@H](NC(=O)C(N)=O)CC1 ZINC001050360599 734892915 /nfs/dbraw/zinc/89/29/15/734892915.db2.gz QJFYJKHGIILYFB-MGCOHNPYSA-N 1 0 338.368 -0.422 20 5 EBBDRO O=C(N[C@H]1C[C@H](C[NH2+]Cc2nnnn2C2CC2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000983653152 807069401 /nfs/dbraw/zinc/06/94/01/807069401.db2.gz HFDTVLNNKKSJQY-CNVPUSNMSA-N 1 0 335.368 -0.342 20 5 EBBDRO C[NH+]1CCC(OCC(=O)N2CC(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CC1 ZINC000991294971 809250736 /nfs/dbraw/zinc/25/07/36/809250736.db2.gz WLCCYNORTYOTSY-CHWSQXEVSA-N 1 0 340.380 -0.911 20 5 EBBDRO C[NH+](C)[C@H]1CC[C@H](OCC(=O)N2CC([N+](=O)[O-])([N+](=O)[O-])C2)CC1 ZINC001224800049 811776766 /nfs/dbraw/zinc/77/67/66/811776766.db2.gz MWWUSLMVIVBWLJ-XYPYZODXSA-N 1 0 330.341 -0.032 20 5 EBBDRO CN(CC[NH2+]CC(=O)N(C)c1nccs1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001266696791 813643451 /nfs/dbraw/zinc/64/34/51/813643451.db2.gz RWQDGWGNAZTUDY-NXEZZACHSA-N 1 0 341.393 -0.181 20 5 EBBDRO CN(CC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)CN1C(=O)CNC1=O ZINC001267466799 813904854 /nfs/dbraw/zinc/90/48/54/813904854.db2.gz UBJAQVHKSIPNDA-UHFFFAOYSA-N 1 0 349.347 -0.305 20 5 EBBDRO CC[NH+]1CCN(CC(C)(C)NC(=O)Cn2cnc([N+](=O)[O-])n2)CC1 ZINC001276246766 817377365 /nfs/dbraw/zinc/37/73/65/817377365.db2.gz HFAQHBIFENZYPB-UHFFFAOYSA-N 1 0 339.400 -0.281 20 5 EBBDRO CC(C)[N@H+](C)CC(=O)N[C@@H]1[C@H]2CN(c3ncc([N+](=O)[O-])c(N)n3)C[C@H]21 ZINC001097567565 819003847 /nfs/dbraw/zinc/00/38/47/819003847.db2.gz MSLZJKQEGKONRG-IWIIMEHWSA-N 1 0 349.395 -0.142 20 5 EBBDRO C[NH+](C)CC1(C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C[C@H]32)CC1 ZINC001284176368 819125260 /nfs/dbraw/zinc/12/52/60/819125260.db2.gz FRDNSRVWSQLTBQ-LBELIVKGSA-N 1 0 336.392 -0.434 20 5 EBBDRO COCCC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)nn1 ZINC001105235397 821636323 /nfs/dbraw/zinc/63/63/23/821636323.db2.gz CRJFNGJXEZNJCA-CHWSQXEVSA-N 1 0 338.368 -0.547 20 5 EBBDRO COc1ncc(C(=O)N(C)CC[NH2+]Cc2c([N+](=O)[O-])ncn2C)cn1 ZINC001317650111 822191666 /nfs/dbraw/zinc/19/16/66/822191666.db2.gz LVFLJZYRJRWYCM-UHFFFAOYSA-N 1 0 349.351 -0.011 20 5 EBBDRO CN(CC(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)S(C)(=O)=O ZINC001128603891 828485100 /nfs/dbraw/zinc/48/51/00/828485100.db2.gz PITYEAOPRBJGHO-UHFFFAOYSA-N 1 0 344.393 -0.308 20 5 EBBDRO CC(C)[NH+]1CCN(c2nnc(Cn3cnc([N+](=O)[O-])n3)n2C)CC1 ZINC001122926067 827669804 /nfs/dbraw/zinc/66/98/04/827669804.db2.gz YDCABGJYUBEFOM-UHFFFAOYSA-N 1 0 335.372 -0.107 20 5 EBBDRO CN1CC(=O)N(CC(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)C1=O ZINC001150331976 830865514 /nfs/dbraw/zinc/86/55/14/830865514.db2.gz PRDXDJQQQFNDRG-UHFFFAOYSA-N 1 0 349.347 -0.305 20 5 EBBDRO CC(C)(C)NC(=O)NCC[NH2+]CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157767868 831591814 /nfs/dbraw/zinc/59/18/14/831591814.db2.gz YSMOFGXTKQKKAF-GHMZBOCLSA-N 1 0 329.401 -0.155 20 5 EBBDRO CNC(=O)NC1CCN(c2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)CC1 ZINC001157938186 831609114 /nfs/dbraw/zinc/60/91/14/831609114.db2.gz YEMZYTXELAJDGL-UHFFFAOYSA-N 1 0 335.368 -0.031 20 5 EBBDRO CC(=O)NC[C@@H](C)CNc1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001160654247 831876643 /nfs/dbraw/zinc/87/66/43/831876643.db2.gz YHVNTVNHTBUGCM-SNVBAGLBSA-N 1 0 337.384 -0.022 20 5 EBBDRO [NH3+]CCN(CCNc1ncc([N+](=O)[O-])cc1[N+](=O)[O-])N(O)N=O ZINC001161086801 831921375 /nfs/dbraw/zinc/92/13/75/831921375.db2.gz BPYCQHYSAVTTQF-UHFFFAOYSA-N 1 0 330.261 -0.142 20 5 EBBDRO O=C1C[C@@H](Nc2ncnc(N3CC[NH2+]CC3)c2[N+](=O)[O-])CCCN1 ZINC001162447457 832045252 /nfs/dbraw/zinc/04/52/52/832045252.db2.gz FXACZHILGFBCCI-JTQLQIEISA-N 1 0 335.368 -0.125 20 5 EBBDRO O=[N+]([O-])c1c(N[C@H]2C[NH2+][C@@H]3CCO[C@@H]32)ncnc1N1CCOCC1 ZINC001163337352 832101784 /nfs/dbraw/zinc/10/17/84/832101784.db2.gz QEMQOKSXIHLZOU-SCVCMEIPSA-N 1 0 336.352 -0.237 20 5 EBBDRO CO[C@@H]1CN(c2ncnc(N3CC[NH2+]CC3)c2[N+](=O)[O-])C[C@@H]1OC ZINC001163997617 832167589 /nfs/dbraw/zinc/16/75/89/832167589.db2.gz ULQKYIMAYMIQPF-PHIMTYICSA-N 1 0 338.368 -0.356 20 5 EBBDRO CS(=O)(=O)CC[NH2+]CC1(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001164490516 832191635 /nfs/dbraw/zinc/19/16/35/832191635.db2.gz LHZHPNQGDMNEPJ-GHMZBOCLSA-N 1 0 333.410 -0.428 20 5 EBBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCCNC(=O)c1c[nH]c(=O)cn1 ZINC001165285982 832211336 /nfs/dbraw/zinc/21/13/36/832211336.db2.gz CKSMORLIIFGLEZ-UHFFFAOYSA-N 1 0 335.324 -0.679 20 5 EBBDRO COc1nc(N2C[C@H]3COC[C@@H](C2)C3[NH3+])nc(OC)c1[N+](=O)[O-] ZINC001167187759 832316467 /nfs/dbraw/zinc/31/64/67/832316467.db2.gz JLCLPITXWJNPOY-JVHMLUBASA-N 1 0 325.325 -0.188 20 5 EBBDRO COC(=O)COc1c(C)cc(-n2nnc(CC[NH3+])n2)cc1[N+](=O)[O-] ZINC001167793269 832374166 /nfs/dbraw/zinc/37/41/66/832374166.db2.gz YNXUQRHMYNETHU-UHFFFAOYSA-N 1 0 336.308 -0.068 20 5 EBBDRO O=C(CN1CC(=O)NC1=O)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001168606611 832428847 /nfs/dbraw/zinc/42/88/47/832428847.db2.gz JPFPDWPHLAUJEQ-UHFFFAOYSA-N 1 0 349.347 -0.258 20 5 EBBDRO CNC(=O)NC[C@H]1CCCC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001175361369 832622294 /nfs/dbraw/zinc/62/22/94/832622294.db2.gz HPKPDNIVMZJYQK-DGCLKSJQSA-N 1 0 340.384 -0.064 20 5 EBBDRO C[C@@H]1CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H](C)C[N@@H+]1CCO ZINC001195279073 835209843 /nfs/dbraw/zinc/20/98/43/835209843.db2.gz MMKIFHGIBYCDOU-MBNYWOFBSA-N 1 0 327.385 -0.461 20 5 EBBDRO C[C@H](CNC(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1)[N@H+](C)C1CC1 ZINC001347080414 843588304 /nfs/dbraw/zinc/58/83/04/843588304.db2.gz KOKRWRWQAXIQPJ-SNVBAGLBSA-N 1 0 338.368 -0.494 20 5 EBBDRO O=C(c1nc[nH]n1)N(CCO)CC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001484496792 1126597839 /nfs/dbraw/zinc/59/78/39/1126597839.db2.gz JTAPGPFOAQRTBT-UHFFFAOYSA-N 1 0 334.336 -0.063 20 5 EBBDRO Cn1cnnc1C[NH2+]CC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCOCC1 ZINC001484862762 1126646940 /nfs/dbraw/zinc/64/69/40/1126646940.db2.gz PHMQNBGEMRVSLT-GHMZBOCLSA-N 1 0 338.368 -0.765 20 5 EBBDRO CC[NH2+]CCCNC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000577610279 375886150 /nfs/dbraw/zinc/88/61/50/375886150.db2.gz ATJPTWRBIJIJHE-UHFFFAOYSA-N 1 0 344.393 -0.011 20 5 EBBDRO CNS(=O)(=O)c1ccc(N[C@H](CO)C[NH+](C)C)c([N+](=O)[O-])c1 ZINC000589101830 377398931 /nfs/dbraw/zinc/39/89/31/377398931.db2.gz NOXRBPONDAQRLY-VIFPVBQESA-N 1 0 332.382 -0.163 20 5 EBBDRO CN1CCN(C(=O)C(=O)NCc2cccc([N+](=O)[O-])c2)[C@H](C[NH3+])C1 ZINC000563619827 377438764 /nfs/dbraw/zinc/43/87/64/377438764.db2.gz ZYGONCGFJSYHIM-CYBMUJFWSA-N 1 0 335.364 -0.688 20 5 EBBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000564431590 377445795 /nfs/dbraw/zinc/44/57/95/377445795.db2.gz AXEAPTASHHKRDH-NSHDSACASA-N 1 0 336.348 -0.042 20 5 EBBDRO CC1CC[NH+](C[C@@H](O)CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000563140063 377417058 /nfs/dbraw/zinc/41/70/58/377417058.db2.gz BLCFQISXIFAZQN-LSDHHAIUSA-N 1 0 341.412 -0.165 20 5 EBBDRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1c1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000591985435 377777649 /nfs/dbraw/zinc/77/76/49/377777649.db2.gz NKPMXIVCMRSFDL-SECBINFHSA-N 1 0 336.352 -0.355 20 5 EBBDRO COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)c1c([N+](=O)[O-])c(C)nn1C ZINC000592547833 377840374 /nfs/dbraw/zinc/84/03/74/377840374.db2.gz AMAKPJPTKRKMAI-VIFPVBQESA-N 1 0 325.325 -0.386 20 5 EBBDRO C[C@H]([NH3+])CNC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000592546914 377839449 /nfs/dbraw/zinc/83/94/49/377839449.db2.gz KMVXHKNFPXYUCC-VIFPVBQESA-N 1 0 330.366 -0.273 20 5 EBBDRO NS(=O)(=O)c1cc([N+](=O)[O-])cc(N2CC(N3CC[C@@H](O)C3)C2)c1 ZINC000593508643 377887274 /nfs/dbraw/zinc/88/72/74/377887274.db2.gz UFCMMXOWIVEYNY-GFCCVEGCSA-N 1 0 342.377 -0.503 20 5 EBBDRO C[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cn1)N1CC[NH+](C)CC1 ZINC000593559290 377892441 /nfs/dbraw/zinc/89/24/41/377892441.db2.gz YVBUBOCBGPGHQC-LLVKDONJSA-N 1 0 343.409 -0.096 20 5 EBBDRO COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)CCn1cc([N+](=O)[O-])nc1C ZINC000592554838 377844315 /nfs/dbraw/zinc/84/43/15/377844315.db2.gz NDBABDJWFGYVHI-NSHDSACASA-N 1 0 339.352 -0.147 20 5 EBBDRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000592878580 377856334 /nfs/dbraw/zinc/85/63/34/377856334.db2.gz HASJJPIVAAXHIV-NSHDSACASA-N 1 0 338.368 -0.240 20 5 EBBDRO CCOC(=O)c1ccnc(N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)c1[N+](=O)[O-] ZINC000567179469 377983310 /nfs/dbraw/zinc/98/33/10/377983310.db2.gz GTIRWMBEJRKNFV-ONGXEEELSA-N 1 0 349.347 -0.085 20 5 EBBDRO [NH3+]CCN(Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C[C@@H](O)CO ZINC000595901197 378034624 /nfs/dbraw/zinc/03/46/24/378034624.db2.gz DMFWAFQYSOIYOX-GFCCVEGCSA-N 1 0 337.336 -0.241 20 5 EBBDRO COc1cc(CCNC(=O)C2(O)C[NH2+]C2)c([N+](=O)[O-])cc1OC ZINC000595923137 378036081 /nfs/dbraw/zinc/03/60/81/378036081.db2.gz QQVIGMWIYSHXBG-UHFFFAOYSA-N 1 0 325.321 -0.395 20 5 EBBDRO C[NH2+]C[C@@H](C)NC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000595981490 378044213 /nfs/dbraw/zinc/04/42/13/378044213.db2.gz DDLPLBFDZLUHNF-SNVBAGLBSA-N 1 0 344.393 -0.013 20 5 EBBDRO CCS(=O)(=O)N1CC(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000567710899 378186040 /nfs/dbraw/zinc/18/60/40/378186040.db2.gz VFNYSWGECIDMKO-GFCCVEGCSA-N 1 0 347.397 -0.977 20 5 EBBDRO CCn1cc(S(=O)(=O)NC2(C[NH3+])CCOCC2)c([N+](=O)[O-])n1 ZINC000599103479 378197046 /nfs/dbraw/zinc/19/70/46/378197046.db2.gz POYVDCVMHVLJFN-UHFFFAOYSA-N 1 0 333.370 -0.403 20 5 EBBDRO NS(=O)(=O)c1c(NCC[N@@H+]2CC[C@H](O)C2)cccc1[N+](=O)[O-] ZINC000599199421 378206054 /nfs/dbraw/zinc/20/60/54/378206054.db2.gz KFNWWELNECOFAY-VIFPVBQESA-N 1 0 330.366 -0.279 20 5 EBBDRO [NH3+][C@H]1C[C@@H]2CN(C(=O)c3cc4c(cc3[N+](=O)[O-])OCO4)CCN2C1=O ZINC000568654415 378406020 /nfs/dbraw/zinc/40/60/20/378406020.db2.gz PYIURLKGITYPCQ-SCZZXKLOSA-N 1 0 348.315 -0.293 20 5 EBBDRO O=[N+]([O-])c1ncccc1S(=O)(=O)NCCCN1CC[NH2+]CC1 ZINC000569007906 378446657 /nfs/dbraw/zinc/44/66/57/378446657.db2.gz OMYTYXNFIBMGQR-UHFFFAOYSA-N 1 0 329.382 -0.437 20 5 EBBDRO CN1CCN(C(=O)C(=O)NCCc2ccccc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000568737316 378421929 /nfs/dbraw/zinc/42/19/29/378421929.db2.gz JNTJAYICXSOQDR-CYBMUJFWSA-N 1 0 349.391 -0.645 20 5 EBBDRO CCOC[C@H](O)C[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000573833914 379105522 /nfs/dbraw/zinc/10/55/22/379105522.db2.gz JPEYVUDYIJNREQ-GFCCVEGCSA-N 1 0 347.393 -0.140 20 5 EBBDRO COC(=O)[C@H]1CN(C(=O)Nc2ccncc2[N+](=O)[O-])CC[N@H+](C)C1 ZINC000416946527 379322933 /nfs/dbraw/zinc/32/29/33/379322933.db2.gz ILMIISSHCSDFNM-SNVBAGLBSA-N 1 0 337.336 -0.020 20 5 EBBDRO C[C@@H](C[NH3+])NC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000417306287 379325576 /nfs/dbraw/zinc/32/55/76/379325576.db2.gz CFVCANMKPUPKCV-VIFPVBQESA-N 1 0 345.381 -0.481 20 5 EBBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000619873799 379380867 /nfs/dbraw/zinc/38/08/67/379380867.db2.gz WJNMGNVXHWMOFS-ZDUSSCGKSA-N 1 0 335.364 -0.737 20 5 EBBDRO CCC[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CC(=O)N(C)C1=O ZINC000282402274 379539273 /nfs/dbraw/zinc/53/92/73/379539273.db2.gz FIPUAAIVKFRFCW-VXGBXAGGSA-N 1 0 339.352 -0.379 20 5 EBBDRO O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NCCNc1ccccc1[N+](=O)[O-] ZINC000351524128 379620666 /nfs/dbraw/zinc/62/06/66/379620666.db2.gz QAKVFEVLAHAFIT-LBPRGKRZSA-N 1 0 335.364 -0.009 20 5 EBBDRO CN(CC(=O)N1CC[NH2+]CC1)C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000353048936 379689063 /nfs/dbraw/zinc/68/90/63/379689063.db2.gz RBYJWKJZFTZIAZ-UHFFFAOYSA-N 1 0 336.348 -0.136 20 5 EBBDRO O=C(Cn1cnc([N+](=O)[O-])n1)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000604573554 379706114 /nfs/dbraw/zinc/70/61/14/379706114.db2.gz VOJDZVXIGQCGJV-GFCCVEGCSA-N 1 0 338.368 -0.100 20 5 EBBDRO C[NH+](C)[C@H]1CN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C[C@@H]1O ZINC000556974153 379711103 /nfs/dbraw/zinc/71/11/03/379711103.db2.gz VFINTSCURITFMC-STQMWFEESA-N 1 0 336.348 -0.542 20 5 EBBDRO CS(=O)(=O)C1(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCC1 ZINC000574512890 380782229 /nfs/dbraw/zinc/78/22/29/380782229.db2.gz ZJEIOBQBQJRDSS-NSHDSACASA-N 1 0 332.382 -0.291 20 5 EBBDRO CN1CC[N@H+](C)C[C@H]1CNc1cc([N+](=O)[O-])ccc1S(N)(=O)=O ZINC000272922939 380919940 /nfs/dbraw/zinc/91/99/40/380919940.db2.gz QPDOPBPPGPLJMG-LLVKDONJSA-N 1 0 343.409 -0.100 20 5 EBBDRO NS(=O)(=O)CCCN1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000552192294 381109167 /nfs/dbraw/zinc/10/91/67/381109167.db2.gz MOTDEIFEEGQNAO-UHFFFAOYSA-N 1 0 329.382 -0.210 20 5 EBBDRO C[NH+]1CCC(O)(CNS(=O)(=O)c2cccnc2[N+](=O)[O-])CC1 ZINC000611022570 381254601 /nfs/dbraw/zinc/25/46/01/381254601.db2.gz RSZCBJRIDJMOPY-UHFFFAOYSA-N 1 0 330.366 -0.275 20 5 EBBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)n1 ZINC000576887222 381930073 /nfs/dbraw/zinc/93/00/73/381930073.db2.gz FIPCKSGQVDVHGZ-BDAKNGLRSA-N 1 0 335.320 -0.475 20 5 EBBDRO CC[NH+]1CCN(CCNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000353884121 382182782 /nfs/dbraw/zinc/18/27/82/382182782.db2.gz XOGVHEQOJMDKGR-UHFFFAOYSA-N 1 0 337.380 -0.490 20 5 EBBDRO COc1ccc(S(=O)(=O)N2CCO[C@@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000262430937 286349341 /nfs/dbraw/zinc/34/93/41/286349341.db2.gz FWGQLHIVWKDUHS-JTQLQIEISA-N 1 0 331.350 -0.048 20 5 EBBDRO [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000193698233 154160561 /nfs/dbraw/zinc/16/05/61/154160561.db2.gz RYUGPLVUMIDFLK-NSHDSACASA-N 1 0 338.368 -0.363 20 5 EBBDRO CNC(=O)c1ccc(N(C)CC(=O)N2CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000261770594 154199584 /nfs/dbraw/zinc/19/95/84/154199584.db2.gz WXRLUNAPEGLJBG-UHFFFAOYSA-N 1 0 335.364 -0.178 20 5 EBBDRO [NH3+]C1(C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000262702465 154244289 /nfs/dbraw/zinc/24/42/89/154244289.db2.gz JRDJIRLHKHYXCX-UHFFFAOYSA-N 1 0 328.350 -0.519 20 5 EBBDRO O=C(NCCn1cc([N+](=O)[O-])cn1)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000297153768 155081827 /nfs/dbraw/zinc/08/18/27/155081827.db2.gz DIDUZVBQTKDZOI-LBPRGKRZSA-N 1 0 340.384 -0.063 20 5 EBBDRO C[N@@H+]1CC[C@](O)(CNC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000358419143 157242839 /nfs/dbraw/zinc/24/28/39/157242839.db2.gz IFRMRVICMLRRMG-HNNXBMFYSA-N 1 0 336.348 -0.493 20 5 EBBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@H]2CCCN2CCCO)c1 ZINC000516468001 419089897 /nfs/dbraw/zinc/08/98/97/419089897.db2.gz MIHMDBLTQSZGII-TZMCWYRMSA-N 1 0 327.385 -0.411 20 5 EBBDRO O=C(NCCn1cc([N+](=O)[O-])cn1)NCC1CC[NH+](CCO)CC1 ZINC000152132116 419664990 /nfs/dbraw/zinc/66/49/90/419664990.db2.gz VJFQSPXKWRPKPS-UHFFFAOYSA-N 1 0 340.384 -0.205 20 5 EBBDRO C[C@H](C[NH3+])N(C)C(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000422827429 420921489 /nfs/dbraw/zinc/92/14/89/420921489.db2.gz DQKAYQSQOALVDH-SECBINFHSA-N 1 0 330.366 -0.321 20 5 EBBDRO CC(C)[C@H]([NH3+])CNC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000422847247 420922233 /nfs/dbraw/zinc/92/22/33/420922233.db2.gz HVFWEGNJKLCYMB-SNVBAGLBSA-N 1 0 344.393 -0.027 20 5 EBBDRO CN1CCO[C@@H](C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000530810844 420927879 /nfs/dbraw/zinc/92/78/79/420927879.db2.gz DTLQUAOPQWGFPI-CYBMUJFWSA-N 1 0 335.364 -0.031 20 5 EBBDRO C[C@@H]([NH3+])C(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000489920890 420938918 /nfs/dbraw/zinc/93/89/18/420938918.db2.gz DBGGQOMKUSIBLB-SNVBAGLBSA-N 1 0 342.377 -0.225 20 5 EBBDRO NC(=O)c1ccnc(NCCC[N@H+]2CCC[C@H]2C(N)=O)c1[N+](=O)[O-] ZINC000357241532 421220495 /nfs/dbraw/zinc/22/04/95/421220495.db2.gz UFRMHRRIAZXCBH-JTQLQIEISA-N 1 0 336.352 -0.160 20 5 EBBDRO CN1CC[NH+](CCCCNc2nccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000578057930 421204525 /nfs/dbraw/zinc/20/45/25/421204525.db2.gz ALGMRCYZABTIAA-UHFFFAOYSA-N 1 0 336.396 0.528 20 5 EBBDRO C[C@H](NC(=O)C(=O)N1CCO[C@H](C[NH3+])C1)c1ccccc1[N+](=O)[O-] ZINC000419156812 264853855 /nfs/dbraw/zinc/85/38/55/264853855.db2.gz VPXDPFORYHXNKA-WDEREUQCSA-N 1 0 336.348 -0.042 20 5 EBBDRO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000419466934 264870043 /nfs/dbraw/zinc/87/00/43/264870043.db2.gz RVKZNRQOHTYYDX-GFCCVEGCSA-N 1 0 340.384 -0.261 20 5 EBBDRO C[C@@H](NC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@H](C)[NH3+] ZINC000423679175 265031109 /nfs/dbraw/zinc/03/11/09/265031109.db2.gz LSOMDCNMMDAPOC-DTWKUNHWSA-N 1 0 330.366 -0.275 20 5 EBBDRO C[C@@H]1CN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC[N@@H+]1CC(C)(C)O ZINC000444555974 265365168 /nfs/dbraw/zinc/36/51/68/265365168.db2.gz ULGGIHZLUVDQNK-SNVBAGLBSA-N 1 0 326.357 -0.510 20 5 EBBDRO Cc1c(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000495121325 272873096 /nfs/dbraw/zinc/87/30/96/272873096.db2.gz VMXWNBYITGLNFE-IAZYJMLFSA-N 1 0 340.361 -0.502 20 5 EBBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@@H](O)CN2CCOCC2)cc1 ZINC000746286175 583104716 /nfs/dbraw/zinc/10/47/16/583104716.db2.gz NKGIMFUUTHTQIU-CABCVRRESA-N 1 0 325.365 -0.089 20 5 EBBDRO CON(C)C(=O)C1CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000812867945 583696884 /nfs/dbraw/zinc/69/68/84/583696884.db2.gz HCMHNLMVGWGZRQ-CYBMUJFWSA-N 1 0 341.368 -0.116 20 5 EBBDRO C[NH2+]CCN(C)C(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000817917016 583730822 /nfs/dbraw/zinc/73/08/22/583730822.db2.gz CQVLLHCQZBLQPQ-UHFFFAOYSA-N 1 0 349.391 -0.079 20 5 EBBDRO O=C(COc1ccc([N+](=O)[O-])c(F)c1)NCC(=O)N1CC[NH2+]CC1 ZINC000818561689 583745575 /nfs/dbraw/zinc/74/55/75/583745575.db2.gz LOWXNHUUBNTBCP-UHFFFAOYSA-N 1 0 340.311 -0.339 20 5 EBBDRO NC(=O)C1=NO[C@@H](C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000819250592 583756573 /nfs/dbraw/zinc/75/65/73/583756573.db2.gz BSPTYYRFRIDTDJ-NXEZZACHSA-N 1 0 338.320 -0.446 20 5 EBBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@H](CO)CN2CCOCC2)c1 ZINC000843116971 584071644 /nfs/dbraw/zinc/07/16/44/584071644.db2.gz XMMLHSMKEZUJGL-DZGCQCFKSA-N 1 0 325.365 -0.089 20 5 EBBDRO [NH3+]CCN(CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C[C@@H](O)CO ZINC000852753654 584215679 /nfs/dbraw/zinc/21/56/79/584215679.db2.gz FYXGKDLAAFRNIO-SNVBAGLBSA-N 1 0 346.771 -0.199 20 5 EBBDRO O=Cc1ccc(OCC(=O)NCC[N@H+]2CC[C@H](O)C2)c([N+](=O)[O-])c1 ZINC000863831059 584379396 /nfs/dbraw/zinc/37/93/96/584379396.db2.gz FYLGBJUUXHJPSG-LBPRGKRZSA-N 1 0 337.332 -0.031 20 5 EBBDRO Cn1nnc(CN2C[C@@H]3CCN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])CC[C@@H]3C2)n1 ZINC000946589319 653160721 /nfs/dbraw/zinc/16/07/21/653160721.db2.gz RVKCYBQUOPBOON-YVECIDJPSA-N 1 0 349.395 -0.454 20 5 EBBDRO COc1nc(N2C[C@H]3OCC[N@H+](C)[C@@H]3C2)nc(OC)c1[N+](=O)[O-] ZINC001164668442 719392918 /nfs/dbraw/zinc/39/29/18/719392918.db2.gz RMRYWSZNSXYWOB-RKDXNWHRSA-N 1 0 325.325 -0.079 20 5 EBBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]C1CCN(C(=O)Cc2nnc[nH]2)CC1 ZINC000997162507 726439894 /nfs/dbraw/zinc/43/98/94/726439894.db2.gz WIYSESZHCBHFHB-UHFFFAOYSA-N 1 0 348.367 -0.230 20 5 EBBDRO O=C(NCC1CN(C(=O)C23CCC[NH+]2CCC3)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001001804422 726624637 /nfs/dbraw/zinc/62/46/37/726624637.db2.gz BUKMMXQJMPQEIC-CHWSQXEVSA-N 1 0 336.392 -0.145 20 5 EBBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1C[C@@H](NC(=O)c2nccnc2N)C1 ZINC001021910982 729345507 /nfs/dbraw/zinc/34/55/07/729345507.db2.gz QWCMWDUZZPNGOX-DTORHVGOSA-N 1 0 346.351 -0.249 20 5 EBBDRO Cn1cnc([N+](=O)[O-])c1CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCCC1 ZINC001026146303 730125423 /nfs/dbraw/zinc/12/54/23/730125423.db2.gz OQVGNFSFADZVEE-JYAVWHMHSA-N 1 0 348.407 -0.030 20 5 EBBDRO CC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC[NH+](CCN2CCNC2=O)CC1 ZINC001045437250 733695103 /nfs/dbraw/zinc/69/51/03/733695103.db2.gz JSZQTNNRVFKHLI-VXGBXAGGSA-N 1 0 339.396 -0.353 20 5 EBBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC2(C1)CC[N@H+](CCN1CCCC1=O)C2 ZINC001072725158 741465595 /nfs/dbraw/zinc/46/55/95/741465595.db2.gz JSLRDQDIWPSQFI-CHWSQXEVSA-N 1 0 336.392 -0.192 20 5 EBBDRO Cn1cnc(C(=O)N[C@H]2C[C@H](C[NH2+]Cc3c([N+](=O)[O-])ncn3C)C2)n1 ZINC000983603860 807054887 /nfs/dbraw/zinc/05/48/87/807054887.db2.gz KEQZFNWUYWYJDH-MGCOHNPYSA-N 1 0 348.367 -0.245 20 5 EBBDRO C[N+](C)(C)C[C@H](O)CC(=O)OCc1cccc(S(N)(=O)=O)c1 ZINC001222758649 811659233 /nfs/dbraw/zinc/65/92/33/811659233.db2.gz JRAWPZJJPHEUDH-GFCCVEGCSA-N 1 0 331.414 -0.166 20 5 EBBDRO CC(=O)N(C)CC(=O)N(C)CCC[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC001268782652 814385952 /nfs/dbraw/zinc/38/59/52/814385952.db2.gz WYFYOQSWAKROCA-UHFFFAOYSA-N 1 0 340.384 -0.255 20 5 EBBDRO CN(CCNC(=O)CCC[NH+](C)C)c1ncc([N+](=O)[O-])c(N)n1 ZINC001100286887 820345445 /nfs/dbraw/zinc/34/54/45/820345445.db2.gz SSPYVGAGMAMTNH-UHFFFAOYSA-N 1 0 325.373 -0.139 20 5 EBBDRO C[C@@H](CNC(=O)Cn1cnc([N+](=O)[O-])n1)C[NH+]1CCN(C)CC1 ZINC001318491856 822327190 /nfs/dbraw/zinc/32/71/90/822327190.db2.gz SHUAGIXASINSDR-NSHDSACASA-N 1 0 325.373 -0.814 20 5 EBBDRO CN1CC[NH+](CC2CN(C(=O)Cn3cc([N+](=O)[O-])ccc3=O)C2)CC1 ZINC001117774567 826807246 /nfs/dbraw/zinc/80/72/46/826807246.db2.gz AVJWATRQGQCVMA-UHFFFAOYSA-N 1 0 349.391 -0.538 20 5 EBBDRO Cc1csc(NC(=O)C[NH2+]CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 ZINC001126936223 828234065 /nfs/dbraw/zinc/23/40/65/828234065.db2.gz BMJGAAKFVMUSML-RKDXNWHRSA-N 1 0 327.366 -0.239 20 5 EBBDRO Cc1nnc(NC(=O)C[NH2+]CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])s1 ZINC001126936937 828234096 /nfs/dbraw/zinc/23/40/96/828234096.db2.gz XRQIYWHDXYCGGF-HTQZYQBOSA-N 1 0 328.354 -0.844 20 5 EBBDRO CC(C)OCCCNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126943440 828235310 /nfs/dbraw/zinc/23/53/10/828235310.db2.gz OUAVLLLSGZBLRG-VXGBXAGGSA-N 1 0 330.385 -0.711 20 5 EBBDRO Cn1cnn(CC(=O)NCC[NH2+]Cc2csc([N+](=O)[O-])c2)c1=O ZINC001130591196 828892670 /nfs/dbraw/zinc/89/26/70/828892670.db2.gz WHWYEWUJFKKCND-UHFFFAOYSA-N 1 0 340.365 -0.543 20 5 EBBDRO O=C(NCC[NH2+]Cc1csc([N+](=O)[O-])c1)C1CC(=O)NC(=O)C1 ZINC001135277023 829936466 /nfs/dbraw/zinc/93/64/66/829936466.db2.gz QYEWLWOXXHWNIK-UHFFFAOYSA-N 1 0 340.361 -0.085 20 5 EBBDRO C[C@H](NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)[C@@H]1C[N@H+](C)CCN1C ZINC001136875038 830090587 /nfs/dbraw/zinc/09/05/87/830090587.db2.gz WQSUCIFEGFHFRU-RYUDHWBXSA-N 1 0 337.380 -0.493 20 5 EBBDRO CN1CC(=O)N(CC(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])C1=O ZINC001150332410 830865997 /nfs/dbraw/zinc/86/59/97/830865997.db2.gz SWRSMJQCQLMADP-UHFFFAOYSA-N 1 0 349.347 -0.305 20 5 EBBDRO O=C(CN1C(=O)CNC1=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001150350180 830871122 /nfs/dbraw/zinc/87/11/22/830871122.db2.gz ZUSRVYXVHDZMFJ-UHFFFAOYSA-N 1 0 335.320 -0.648 20 5 EBBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCC[N@H+](C)CCO ZINC001155251617 831395382 /nfs/dbraw/zinc/39/53/82/831395382.db2.gz TVYZIUQHBAPGAW-NSHDSACASA-N 1 0 342.400 -0.132 20 5 EBBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCCNC(=O)CN1CCOCC1 ZINC001156753726 831493999 /nfs/dbraw/zinc/49/39/99/831493999.db2.gz KHXCSVDBADKFQR-UHFFFAOYSA-N 1 0 340.384 -0.744 20 5 EBBDRO CS(=O)(=O)c1ccc(C[NH2+]CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])o1 ZINC001157767792 831591707 /nfs/dbraw/zinc/59/17/07/831591707.db2.gz UVHFCPQYICYCCW-GHMZBOCLSA-N 1 0 345.377 -0.056 20 5 EBBDRO O=[N+]([O-])c1cnc(N2CCN(c3ncncn3)CC2)nc1C1C[NH2+]C1 ZINC001157860721 831599179 /nfs/dbraw/zinc/59/91/79/831599179.db2.gz WZPQEWAJTQOXTG-UHFFFAOYSA-N 1 0 343.351 -0.417 20 5 EBBDRO COC(=O)c1nc(Cl)nc(N2C[C@@H]([NH3+])C3(COC3)C2)c1[N+](=O)[O-] ZINC001158764595 831684044 /nfs/dbraw/zinc/68/40/44/831684044.db2.gz OKHKCGBAXKPWKB-ZCFIWIBFSA-N 1 0 343.727 -0.011 20 5 EBBDRO COC(=O)c1nc(Cl)nc(N[C@H]2C[NH2+]C[C@H]2CO)c1[N+](=O)[O-] ZINC001159672566 831771031 /nfs/dbraw/zinc/77/10/31/831771031.db2.gz QDERGIYRQJYAPW-WDSKDSINSA-N 1 0 331.716 -0.183 20 5 EBBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCCNC(=O)CCS(C)(=O)=O ZINC001161095596 831924851 /nfs/dbraw/zinc/92/48/51/831924851.db2.gz YSLVFKOLVPHHHK-UHFFFAOYSA-N 1 0 347.397 -0.641 20 5 EBBDRO CS(=O)(=O)c1nc(Cl)c([N+](=O)[O-])c(N(CC[NH3+])CCO)n1 ZINC001163828190 832143380 /nfs/dbraw/zinc/14/33/80/832143380.db2.gz RZLLGZBPGMRVFB-UHFFFAOYSA-N 1 0 339.761 -0.801 20 5 EBBDRO O=[N+]([O-])c1c(N2CCC3(C2)OCCO3)ncnc1N1CC[NH2+]CC1 ZINC001166589436 832273746 /nfs/dbraw/zinc/27/37/46/832273746.db2.gz AAQSMBXENVVFBY-UHFFFAOYSA-N 1 0 336.352 -0.252 20 5 EBBDRO O=C1COC[C@@H]2CN(c3ncc([N+](=O)[O-])c(C4C[NH2+]C4)n3)CCN12 ZINC001167229497 832318973 /nfs/dbraw/zinc/31/89/73/832318973.db2.gz SXFHZRRGHOICLG-JTQLQIEISA-N 1 0 334.336 -0.881 20 5 EBBDRO CS(=O)(=O)c1nc(Cl)c([N+](=O)[O-])c(-n2nncc2C[NH3+])n1 ZINC001169304168 832457704 /nfs/dbraw/zinc/45/77/04/832457704.db2.gz QAQRCVLLBDWBQB-UHFFFAOYSA-N 1 0 333.717 -0.519 20 5 EBBDRO O=[N+]([O-])c1cc(Br)[n+]([O-])c(N[C@H]2C[NH2+]C[C@H]2CO)c1 ZINC001170777840 832524925 /nfs/dbraw/zinc/52/49/25/832524925.db2.gz DMGAWYPUZILSEC-XPUUQOCRSA-N 1 0 333.142 -0.017 20 5 EBBDRO O=[N+]([O-])c1cc(Br)[n+]([O-])c(N[C@@H]2C[NH2+]C[C@@H]2CO)c1 ZINC001170777837 832525016 /nfs/dbraw/zinc/52/50/16/832525016.db2.gz DMGAWYPUZILSEC-HTRCEHHLSA-N 1 0 333.142 -0.017 20 5 EBBDRO CCOC(=O)COc1ncc(N[C@@H]2C[NH2+]C[C@H]2CO)cc1[N+](=O)[O-] ZINC001170782335 832525762 /nfs/dbraw/zinc/52/57/62/832525762.db2.gz UWOQPMQAPRJLPM-GXSJLCMTSA-N 1 0 340.336 -0.076 20 5 EBBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCCNC(=O)c1cccn(C)c1=O ZINC001171540329 832563493 /nfs/dbraw/zinc/56/34/93/832563493.db2.gz XYVYVDXWEMPJNL-UHFFFAOYSA-N 1 0 348.363 -0.063 20 5 EBBDRO O=C(CN1C(=O)CNC1=O)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001175556771 832629477 /nfs/dbraw/zinc/62/94/77/832629477.db2.gz IKUZNKMLDBFVFD-UHFFFAOYSA-N 1 0 349.347 -0.258 20 5 EBBDRO CNS(=O)(=O)CC(=O)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001176335628 832667375 /nfs/dbraw/zinc/66/73/75/832667375.db2.gz FCLWAWZBOBTXIB-UHFFFAOYSA-N 1 0 344.393 -0.260 20 5 EBBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCCNC(=O)CCCC(N)=O ZINC001177387117 832778472 /nfs/dbraw/zinc/77/84/72/832778472.db2.gz ZYRHMKVBKFXNER-UHFFFAOYSA-N 1 0 326.357 -0.420 20 5 EBBDRO O=C(Cn1cc(Br)cc([N+](=O)[O-])c1=O)N1CC[NH2+]CC1 ZINC001328181039 840613166 /nfs/dbraw/zinc/61/31/66/840613166.db2.gz FLPJLAVURCERRW-UHFFFAOYSA-N 1 0 345.153 -0.049 20 5 EBBDRO CN1CC[NH+](CC2CN(C(=O)c3ccnc(N)c3[N+](=O)[O-])C2)CC1 ZINC001328395936 840669845 /nfs/dbraw/zinc/66/98/45/840669845.db2.gz QNNDCSACNQQYPS-UHFFFAOYSA-N 1 0 334.380 -0.109 20 5 EBBDRO O=C(Cn1cnc([N+](=O)[O-])n1)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC001329124795 840849173 /nfs/dbraw/zinc/84/91/73/840849173.db2.gz ZQEZLRIJTMZLPY-UHFFFAOYSA-N 1 0 338.368 -0.100 20 5 EBBDRO CCNC(=O)C[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@@]2(C)C1 ZINC001330524677 841228238 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MFBSVDWESYLLFN-LLVKDONJSA-N 1 0 336.352 -0.128 20 5 EBBDRO CS(=O)(=O)CCC[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCC1 ZINC001280480383 1127265391 /nfs/dbraw/zinc/26/53/91/1127265391.db2.gz MCMCGALUWPGMGM-GHMZBOCLSA-N 1 0 333.410 -0.285 20 5 EBBDRO C[NH+](C)CC1(C(=O)N2CCN(c3ncc([N+](=O)[O-])c(N)n3)CC2)CC1 ZINC001093195784 1128303801 /nfs/dbraw/zinc/30/38/01/1128303801.db2.gz UWBKSTJICKTBBN-UHFFFAOYSA-N 1 0 349.395 -0.043 20 5 EBBDRO NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000264469378 283350830 /nfs/dbraw/zinc/35/08/30/283350830.db2.gz KUCAMICQJDGWHC-LLVKDONJSA-N 1 0 337.336 -0.235 20 5 EBBDRO COc1cc(C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000577652031 375892075 /nfs/dbraw/zinc/89/20/75/375892075.db2.gz ZBVFNLAOLVOFHN-WDEREUQCSA-N 1 0 334.332 -0.013 20 5 EBBDRO COc1ccc(S(=O)(=O)N2CCN(C)C[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000321398558 375901145 /nfs/dbraw/zinc/90/11/45/375901145.db2.gz HNVGMWPIVLSKRE-JTQLQIEISA-N 1 0 344.393 -0.133 20 5 EBBDRO CC1(C)CN(CC[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCO1 ZINC000578316340 375986275 /nfs/dbraw/zinc/98/62/75/375986275.db2.gz XFTVJSWMMLNSPW-ZDUSSCGKSA-N 1 0 327.385 -0.147 20 5 EBBDRO Cn1ccnc(N2CCN(CCn3cc([N+](=O)[O-])cn3)CC2)c1=O ZINC000350040918 376358213 /nfs/dbraw/zinc/35/82/13/376358213.db2.gz LAVPRTUJEICMJA-UHFFFAOYSA-N 1 0 333.352 -0.293 20 5 EBBDRO CC(C)(CO)[NH+]1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000611165912 376435821 /nfs/dbraw/zinc/43/58/21/376435821.db2.gz ILQUTPJRQIIDAW-UHFFFAOYSA-N 1 0 338.364 -0.328 20 5 EBBDRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)Cn2ncc([N+](=O)[O-])c2N)C1 ZINC000127507331 376614968 /nfs/dbraw/zinc/61/49/68/376614968.db2.gz WQJSLQQQLZEXTQ-NSHDSACASA-N 1 0 340.384 -0.154 20 5 EBBDRO O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)c1cc([N+](=O)[O-])n[nH]1 ZINC000586782721 377132437 /nfs/dbraw/zinc/13/24/37/377132437.db2.gz NHWGONYCIOLXBW-NSHDSACASA-N 1 0 338.368 -0.546 20 5 EBBDRO COc1ccc(C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cc1[N+](=O)[O-] ZINC000563438731 377437093 /nfs/dbraw/zinc/43/70/93/377437093.db2.gz QLZUJAFAPYDFJN-QWRGUYRKSA-N 1 0 334.332 -0.013 20 5 EBBDRO C[NH+](C)[C@H]1CN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)C[C@@H]1O ZINC000564343281 377444522 /nfs/dbraw/zinc/44/45/22/377444522.db2.gz VSCTYPDZAIRQFC-KBPBESRZSA-N 1 0 346.347 -0.078 20 5 EBBDRO CS(=O)(=O)N1CCC[C@@H]1C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000566063771 377468368 /nfs/dbraw/zinc/46/83/68/377468368.db2.gz LSMZYHUGNUUEMW-ZYHUDNBSSA-N 1 0 347.397 -0.834 20 5 EBBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000590586186 377637902 /nfs/dbraw/zinc/63/79/02/377637902.db2.gz JYHJLDGUDNRZFP-QWRGUYRKSA-N 1 0 345.377 -0.101 20 5 EBBDRO COC(=O)[C@H]1C[C@@H](O)C[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000592195127 377801209 /nfs/dbraw/zinc/80/12/09/377801209.db2.gz JIWWVNGWOXGMAC-CMPLNLGQSA-N 1 0 325.321 -0.388 20 5 EBBDRO CCn1cc(S(=O)(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)c([N+](=O)[O-])n1 ZINC000592374286 377822580 /nfs/dbraw/zinc/82/25/80/377822580.db2.gz KESOQTQPBJTWDD-DTWKUNHWSA-N 1 0 333.370 -0.452 20 5 EBBDRO C[NH+](C)CCN1CCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])CC1=O ZINC000593485668 377887843 /nfs/dbraw/zinc/88/78/43/377887843.db2.gz AVLROWXKZPXWKA-UHFFFAOYSA-N 1 0 335.364 -0.096 20 5 EBBDRO O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000592562142 377844733 /nfs/dbraw/zinc/84/47/33/377844733.db2.gz DXLRTMRTVZCOFG-ZDUSSCGKSA-N 1 0 333.348 -0.257 20 5 EBBDRO CCc1n[nH]c(C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)c1[N+](=O)[O-] ZINC000593785269 377914448 /nfs/dbraw/zinc/91/44/48/377914448.db2.gz ZQRRWWHCVPSJIU-UHFFFAOYSA-N 1 0 338.368 -0.274 20 5 EBBDRO C[NH2+]C[C@H](C)NC(=O)C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000595279550 377991036 /nfs/dbraw/zinc/99/10/36/377991036.db2.gz NDPRXERQDMCRCH-QMMMGPOBSA-N 1 0 334.336 -0.189 20 5 EBBDRO CN(C)C(=O)N(C)[C@H]1CC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000595826888 378029973 /nfs/dbraw/zinc/02/99/73/378029973.db2.gz PNHSOACLYIHHQQ-WCQYABFASA-N 1 0 340.384 -0.160 20 5 EBBDRO [NH3+][C@H]1C[C@H](C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000595928620 378032814 /nfs/dbraw/zinc/03/28/14/378032814.db2.gz NBJPAHPSWWTJAD-MGCOHNPYSA-N 1 0 342.377 -0.273 20 5 EBBDRO CC[C@@H]([NH2+]C)C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000595924498 378035968 /nfs/dbraw/zinc/03/59/68/378035968.db2.gz LDGVAASRYXFACZ-GFCCVEGCSA-N 1 0 344.393 -0.013 20 5 EBBDRO CC[C@@H]([NH2+]C)C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000595924431 378036220 /nfs/dbraw/zinc/03/62/20/378036220.db2.gz JQPXGMQXOWGJRI-SNVBAGLBSA-N 1 0 344.393 -0.013 20 5 EBBDRO [NH3+]C1(CC(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000595945913 378041143 /nfs/dbraw/zinc/04/11/43/378041143.db2.gz QNGYENDGSJZONO-UHFFFAOYSA-N 1 0 342.377 -0.129 20 5 EBBDRO CCS(=O)(=O)C1(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000596066163 378052001 /nfs/dbraw/zinc/05/20/01/378052001.db2.gz ZHKKTEFBVXHJHM-LLVKDONJSA-N 1 0 332.382 -0.291 20 5 EBBDRO C[N@@H+]1CCN(CC[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1(C)C ZINC000567701907 378185060 /nfs/dbraw/zinc/18/50/60/378185060.db2.gz NTMGDTPTAFVSDF-AWEZNQCLSA-N 1 0 340.428 -0.232 20 5 EBBDRO Nc1nc(N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)nc(N)[nH+]1 ZINC000599046323 378195012 /nfs/dbraw/zinc/19/50/12/378195012.db2.gz HFHRXVVXIBRRQY-UHFFFAOYSA-N 1 0 344.335 -0.433 20 5 EBBDRO Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCC2([NH+](C)C)CCOCC2)n1 ZINC000599237638 378211227 /nfs/dbraw/zinc/21/12/27/378211227.db2.gz LWNWICXFINGSNL-UHFFFAOYSA-N 1 0 347.397 -0.283 20 5 EBBDRO COc1ccc(NC(=O)C(=O)N(C)CCOCC[NH3+])cc1[N+](=O)[O-] ZINC000599899815 378281945 /nfs/dbraw/zinc/28/19/45/378281945.db2.gz KDDUQIROFLPZHD-UHFFFAOYSA-N 1 0 340.336 -0.024 20 5 EBBDRO CCOC[C@@H](O)C[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000570443984 378509387 /nfs/dbraw/zinc/50/93/87/378509387.db2.gz HQNVQMGPSPKJGT-LBPRGKRZSA-N 1 0 347.393 -0.140 20 5 EBBDRO CCc1n[nH]c(C(=O)N[C@@H](C)C(=O)NCC[NH+](C)C)c1[N+](=O)[O-] ZINC000563403817 379014352 /nfs/dbraw/zinc/01/43/52/379014352.db2.gz QQCVNEFJQCORSR-QMMMGPOBSA-N 1 0 326.357 -0.324 20 5 EBBDRO O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCC[NH2+]1 ZINC000070807963 379090214 /nfs/dbraw/zinc/09/02/14/379090214.db2.gz JVFIDSSSZAXYAK-LBPRGKRZSA-N 1 0 342.377 -0.259 20 5 EBBDRO C[NH+]1CCN(CCNc2cccc(S(N)(=O)=O)c2[N+](=O)[O-])CC1 ZINC000273440326 379185871 /nfs/dbraw/zinc/18/58/71/379185871.db2.gz CUGFPIWTIZZRHU-UHFFFAOYSA-N 1 0 343.409 -0.099 20 5 EBBDRO CS(=O)(=O)N1CCC[C@@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000400167697 379185957 /nfs/dbraw/zinc/18/59/57/379185957.db2.gz ZEKNWKCOJVXTBE-ZYHUDNBSSA-N 1 0 347.397 -0.834 20 5 EBBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@H]2CCCCN2CCO)c1 ZINC000573967434 379172092 /nfs/dbraw/zinc/17/20/92/379172092.db2.gz WWCQEGWALROPNY-TZMCWYRMSA-N 1 0 327.385 -0.411 20 5 EBBDRO C[C@H](C[NH3+])NC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000417266127 379325496 /nfs/dbraw/zinc/32/54/96/379325496.db2.gz BXFMPSOTHPLNID-SECBINFHSA-N 1 0 345.381 -0.481 20 5 EBBDRO Cc1c(CNC(=O)C(=O)N2CCO[C@H](C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000419759440 379346006 /nfs/dbraw/zinc/34/60/06/379346006.db2.gz MGDYAGCSUHLCMO-GFCCVEGCSA-N 1 0 336.348 -0.294 20 5 EBBDRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000419459946 379340285 /nfs/dbraw/zinc/34/02/85/379340285.db2.gz DUPAYEAXRSKGKZ-PWSUYJOCSA-N 1 0 338.368 -0.364 20 5 EBBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000377514407 379446194 /nfs/dbraw/zinc/44/61/94/379446194.db2.gz YQHRTQVOLJRWBN-QWHCGFSZSA-N 1 0 336.348 -0.264 20 5 EBBDRO CC[C@@H]([NH3+])C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000574273846 379487653 /nfs/dbraw/zinc/48/76/53/379487653.db2.gz YDHWAMNLTPTCGE-LLVKDONJSA-N 1 0 330.366 -0.273 20 5 EBBDRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000331898127 379511929 /nfs/dbraw/zinc/51/19/29/379511929.db2.gz JMANMHPIGMGGHI-UHFFFAOYSA-N 1 0 336.352 -0.302 20 5 EBBDRO CN(CC(=O)N1CC[NH2+]CC1)C(=O)COc1ccccc1[N+](=O)[O-] ZINC000353047762 379688856 /nfs/dbraw/zinc/68/88/56/379688856.db2.gz XVMHDFMPPPUGBR-UHFFFAOYSA-N 1 0 336.348 -0.136 20 5 EBBDRO O=C(N1CC[NH2+]CC1)N1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000600714382 379658113 /nfs/dbraw/zinc/65/81/13/379658113.db2.gz QTKFHLAZIYBFMO-UHFFFAOYSA-N 1 0 337.384 -0.566 20 5 EBBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@@H]2CN2CCOCC2)c1 ZINC000075890250 379740205 /nfs/dbraw/zinc/74/02/05/379740205.db2.gz IGXAVEXDXCMGNE-UKRRQHHQSA-N 1 0 339.396 -0.051 20 5 EBBDRO O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)NCCN1CC[NH2+]CC1 ZINC000269134713 380222591 /nfs/dbraw/zinc/22/25/91/380222591.db2.gz QBNRMCBRMCQBSJ-UHFFFAOYSA-N 1 0 349.391 -0.264 20 5 EBBDRO C[C@H]1CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC[N@@H+]1CC(C)(C)O ZINC000189892013 380916842 /nfs/dbraw/zinc/91/68/42/380916842.db2.gz FTEYSQITMKESGC-JSGCOSHPSA-N 1 0 341.412 -0.071 20 5 EBBDRO NC(=O)c1ccc(CN2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000581321523 381070980 /nfs/dbraw/zinc/07/09/80/381070980.db2.gz OBTOLYVWOOBWCP-NWDGAFQWSA-N 1 0 333.348 -0.563 20 5 EBBDRO CN(C)C[C@H](O)C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000581370332 381073257 /nfs/dbraw/zinc/07/32/57/381073257.db2.gz ROVJWVSWMPIHAU-GFCCVEGCSA-N 1 0 331.394 -0.119 20 5 EBBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000274856438 382072112 /nfs/dbraw/zinc/07/21/12/382072112.db2.gz ZHBVNZSNDYGCAR-GXFFZTMASA-N 1 0 336.348 -0.101 20 5 EBBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@H]2CN2CCOCC2)c1 ZINC000247459982 154185569 /nfs/dbraw/zinc/18/55/69/154185569.db2.gz IGXAVEXDXCMGNE-DZGCQCFKSA-N 1 0 339.396 -0.051 20 5 EBBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000262016961 154208600 /nfs/dbraw/zinc/20/86/00/154208600.db2.gz IDYWYBRCJZJIQJ-ZDUSSCGKSA-N 1 0 336.396 -0.004 20 5 EBBDRO COC[C@@H]([NH3+])C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000262328201 154224421 /nfs/dbraw/zinc/22/44/21/154224421.db2.gz RILVDQOXUVGQAZ-SECBINFHSA-N 1 0 342.377 -0.086 20 5 EBBDRO COC[C@H]([NH3+])C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000262328203 154225219 /nfs/dbraw/zinc/22/52/19/154225219.db2.gz RILVDQOXUVGQAZ-VIFPVBQESA-N 1 0 342.377 -0.086 20 5 EBBDRO C[C@@H](C[NH3+])NC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000262496586 154233763 /nfs/dbraw/zinc/23/37/63/154233763.db2.gz ZYDZGUBVKYSOFC-VIFPVBQESA-N 1 0 330.366 -0.321 20 5 EBBDRO C[NH2+]C[C@@H](C)C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000262610855 154239756 /nfs/dbraw/zinc/23/97/56/154239756.db2.gz ITDSQTUJFVNZER-SNVBAGLBSA-N 1 0 344.393 -0.155 20 5 EBBDRO O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CC[NH2+]C1 ZINC000262630939 154240686 /nfs/dbraw/zinc/24/06/86/154240686.db2.gz WGRAKBKZHXQDOP-SNVBAGLBSA-N 1 0 342.377 -0.401 20 5 EBBDRO C[NH+](C)C[C@](C)(O)CNc1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1 ZINC000269877078 154468597 /nfs/dbraw/zinc/46/85/97/154468597.db2.gz NYHXZLTUOWHQSB-GFCCVEGCSA-N 1 0 332.382 -0.033 20 5 EBBDRO C[C@@H](C[NH+](C)C)NC(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000346271775 156393903 /nfs/dbraw/zinc/39/39/03/156393903.db2.gz RAEFYYJUAOFOHQ-QMMMGPOBSA-N 1 0 330.366 -0.078 20 5 EBBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000358190341 157227397 /nfs/dbraw/zinc/22/73/97/157227397.db2.gz BBLMOSBXUNUKPQ-ZDUSSCGKSA-N 1 0 345.377 -0.052 20 5 EBBDRO C[N@@H+]1CC[C@](O)(CNc2cccc(S(N)(=O)=O)c2[N+](=O)[O-])C1 ZINC000358306914 157232396 /nfs/dbraw/zinc/23/23/96/157232396.db2.gz NNAVDNKYWLMUPU-LBPRGKRZSA-N 1 0 330.366 -0.279 20 5 EBBDRO O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)NC[C@@H]1C[NH2+]CCO1 ZINC000517024837 419090217 /nfs/dbraw/zinc/09/02/17/419090217.db2.gz HOERUORRHVRGMK-ZDUSSCGKSA-N 1 0 336.348 -0.181 20 5 EBBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C[C@@H]2CCCN2CCCO)c1 ZINC000516467999 419090685 /nfs/dbraw/zinc/09/06/85/419090685.db2.gz MIHMDBLTQSZGII-JSGCOSHPSA-N 1 0 327.385 -0.411 20 5 EBBDRO COC(=O)[C@@H]1CN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC[N@H+](C)C1 ZINC000413895637 419320618 /nfs/dbraw/zinc/32/06/18/419320618.db2.gz FICIUSLOOGIUGI-JTQLQIEISA-N 1 0 338.320 -0.128 20 5 EBBDRO C[C@@H]1CN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)[C@@H](C)C[N@@H+]1CCO ZINC000416293030 419423923 /nfs/dbraw/zinc/42/39/23/419423923.db2.gz JHAHSDLWEALJIE-NEPJUHHUSA-N 1 0 338.364 -0.330 20 5 EBBDRO NS(=O)(=O)c1cccc(N2CCC[N@H+](CCO)CC2)c1[N+](=O)[O-] ZINC000273525315 420860567 /nfs/dbraw/zinc/86/05/67/420860567.db2.gz XTDDUJNSIADGDQ-UHFFFAOYSA-N 1 0 344.393 -0.253 20 5 EBBDRO C[NH2+][C@@H]1CCN(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000422716687 420921772 /nfs/dbraw/zinc/92/17/72/420921772.db2.gz UZORAEFHBVXQIJ-SNVBAGLBSA-N 1 0 342.377 -0.307 20 5 EBBDRO C[C@@H](C[NH3+])CNC(=O)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000419950317 264909893 /nfs/dbraw/zinc/90/98/93/264909893.db2.gz HBTMWHOMJWCUKJ-LBPRGKRZSA-N 1 0 349.391 -0.046 20 5 EBBDRO [NH3+]C[C@H]1CN(C(=O)C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)CCO1 ZINC000423300707 264996613 /nfs/dbraw/zinc/99/66/13/264996613.db2.gz DZWBCFIMJGBFDU-AWEZNQCLSA-N 1 0 348.359 -0.334 20 5 EBBDRO COc1cccc(C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)c1[N+](=O)[O-] ZINC000516089616 265627963 /nfs/dbraw/zinc/62/79/63/265627963.db2.gz UTNJWNRNHFUDID-MWLCHTKSSA-N 1 0 334.332 -0.013 20 5 EBBDRO COC(=O)c1ccc(S(=O)(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1[N+](=O)[O-] ZINC000420420448 545993365 /nfs/dbraw/zinc/99/33/65/545993365.db2.gz JSYNSUKLFNNBMZ-IAZYJMLFSA-N 1 0 341.345 -0.123 20 5 EBBDRO CN1CC[N@H+](C)C[C@H]1CNc1ncc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000736862413 582964071 /nfs/dbraw/zinc/96/40/71/582964071.db2.gz CIBTUTYFCSURHU-SNVBAGLBSA-N 1 0 333.356 -0.172 20 5 EBBDRO O=C(CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CC[NH2+]CC1 ZINC000818562180 583745518 /nfs/dbraw/zinc/74/55/18/583745518.db2.gz SSNHVDYJVGGDQT-UHFFFAOYSA-N 1 0 337.292 -0.335 20 5 EBBDRO O=[N+]([O-])c1cnn(CC[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000819176037 583755870 /nfs/dbraw/zinc/75/58/70/583755870.db2.gz GNUWWHXOJCEGCR-NSHDSACASA-N 1 0 325.285 -0.453 20 5 EBBDRO C[N@@H+]1CCO[C@@H]2CN(c3nccc(-c4nn[nH]n4)c3[N+](=O)[O-])C[C@@H]21 ZINC000821628291 583796707 /nfs/dbraw/zinc/79/67/07/583796707.db2.gz FIEDJYUOACJYNE-VHSXEESVSA-N 1 0 332.324 -0.311 20 5 EBBDRO C[NH+](C)CCN1CCN(C(=O)c2cc([N+](=O)[O-])cnc2N)CC1=O ZINC000846356668 584125280 /nfs/dbraw/zinc/12/52/80/584125280.db2.gz JLRBLAIAXBSRSD-UHFFFAOYSA-N 1 0 336.352 -0.582 20 5 EBBDRO O=[N+]([O-])c1cnc(N2CCC[N@@H+](CCO)CC2)c(-c2nn[nH]n2)c1 ZINC000738370982 598503264 /nfs/dbraw/zinc/50/32/64/598503264.db2.gz ZNNCYSYAUXRKPG-UHFFFAOYSA-N 1 0 334.340 -0.326 20 5 EBBDRO CN(C)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC[C@@H]2C1 ZINC000946589355 653160008 /nfs/dbraw/zinc/16/00/08/653160008.db2.gz UUSMSOPXPJXGGE-XJFOESAGSA-N 1 0 338.408 -0.090 20 5 EBBDRO CCN(C(=O)C12CC[NH+](CC1)C2)C1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000968164552 724971827 /nfs/dbraw/zinc/97/18/27/724971827.db2.gz QDNJFIRGKMVJEV-CHWSQXEVSA-N 1 0 336.392 -0.193 20 5 EBBDRO O=C(NCC1CC[NH+](CCN2CCNC2=O)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001001401081 726604646 /nfs/dbraw/zinc/60/46/46/726604646.db2.gz YKQUDGCCRKAZSA-CHWSQXEVSA-N 1 0 339.396 -0.495 20 5 EBBDRO C[NH+]1CCC(CC(=O)N2CC(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CC1 ZINC001001803125 726624553 /nfs/dbraw/zinc/62/45/53/726624553.db2.gz PGULVLAERBORET-ZIAGYGMSSA-N 1 0 338.408 -0.042 20 5 EBBDRO O=C(NC1CC[NH+](CCN2C(=O)CCC2=O)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001002783589 726647832 /nfs/dbraw/zinc/64/78/32/726647832.db2.gz BNFJIVPKGBDPIM-VXGBXAGGSA-N 1 0 338.364 -0.619 20 5 EBBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001011112393 727210705 /nfs/dbraw/zinc/21/07/05/727210705.db2.gz JDAYJHUBCOKXRG-CHWSQXEVSA-N 1 0 336.392 -0.049 20 5 EBBDRO CC(=O)N1CC[C@@H](C[N@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000246842967 803758917 /nfs/dbraw/zinc/75/89/17/803758917.db2.gz QLKNAFQFDDDJKD-GXTWGEPZSA-N 1 0 325.369 -0.048 20 5 EBBDRO O=C(N[C@@H]1[C@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@H]21)C12CCC[NH+]1CCC2 ZINC000976853006 803903957 /nfs/dbraw/zinc/90/39/57/803903957.db2.gz FQUHJFSNJVUKHK-RGDJUOJXSA-N 1 0 348.403 -0.147 20 5 EBBDRO CC(C)[N@@H+]1CCC[C@H](OCC(=O)N2CC([N+](=O)[O-])([N+](=O)[O-])C2)C1 ZINC001224798774 811776340 /nfs/dbraw/zinc/77/63/40/811776340.db2.gz CJZAUMXVRGMWFN-NSHDSACASA-N 1 0 330.341 -0.032 20 5 EBBDRO CN(CC[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)S(C)(=O)=O ZINC001227257850 811913185 /nfs/dbraw/zinc/91/31/85/811913185.db2.gz GINVKHXZRGZFJA-VXGBXAGGSA-N 1 0 348.425 -0.876 20 5 EBBDRO Cc1cc(NC(=O)C[NH2+]CCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n(C)n1 ZINC001266696784 813643483 /nfs/dbraw/zinc/64/34/83/813643483.db2.gz RJWRZDVSLDPVLA-GHMZBOCLSA-N 1 0 338.368 -0.620 20 5 EBBDRO CN(CC[NH2+]Cc1c([N+](=O)[O-])ncn1C)C(=O)c1cn(C)c(=O)[nH]1 ZINC001267424703 813888624 /nfs/dbraw/zinc/88/86/24/813888624.db2.gz ZKWNCPFZEOWZNL-UHFFFAOYSA-N 1 0 337.340 -0.371 20 5 EBBDRO O=C(NCC=CC[NH2+]Cc1cc(=O)n2nccc2[nH]1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001268543171 814282795 /nfs/dbraw/zinc/28/27/95/814282795.db2.gz UEKYOPFIQFMVGB-NUYITTKVSA-N 1 0 346.347 -0.550 20 5 EBBDRO NC(=O)C(=O)NCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC001278718707 817798875 /nfs/dbraw/zinc/79/88/75/817798875.db2.gz PTDOHHRDCIILRV-UHFFFAOYSA-N 1 0 336.348 -0.165 20 5 EBBDRO NC(=O)C(=O)NCCN1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001279446530 817933463 /nfs/dbraw/zinc/93/34/63/817933463.db2.gz NTVJXTWWWSXLLW-UHFFFAOYSA-N 1 0 349.391 -0.250 20 5 EBBDRO O=C(c1nc[nH]n1)N(CCO)CC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001279858764 817996456 /nfs/dbraw/zinc/99/64/56/817996456.db2.gz ZXRIHSNAWREZGG-UHFFFAOYSA-N 1 0 340.365 -0.001 20 5 EBBDRO CC[NH+](CC)CC(=O)N[C@@H]1[C@H]2CN(c3ncc([N+](=O)[O-])c(N)n3)C[C@H]21 ZINC001097567133 819003706 /nfs/dbraw/zinc/00/37/06/819003706.db2.gz LRHVVKMHAWSOKI-IWIIMEHWSA-N 1 0 349.395 -0.140 20 5 EBBDRO CN(CCNC(=O)C1CC[NH+](C)CC1)c1ncc([N+](=O)[O-])c(N)n1 ZINC001100298137 820350439 /nfs/dbraw/zinc/35/04/39/820350439.db2.gz BXBOPXOQGVFKOG-UHFFFAOYSA-N 1 0 337.384 -0.139 20 5 EBBDRO CC[N@H+](C)C(C)(C)C(=O)N1CC(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001297201611 821337270 /nfs/dbraw/zinc/33/72/70/821337270.db2.gz WFDXFTHTIYFGCG-VXGBXAGGSA-N 1 0 326.397 -0.044 20 5 EBBDRO CC[NH+]1CCN(C2CN(c3nccc(C(N)=O)c3[N+](=O)[O-])C2)CC1 ZINC001307218415 821769870 /nfs/dbraw/zinc/76/98/70/821769870.db2.gz IGGIQCRAIODCTQ-UHFFFAOYSA-N 1 0 334.380 -0.085 20 5 EBBDRO CN(CC(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-])S(C)(=O)=O ZINC001128603926 828484930 /nfs/dbraw/zinc/48/49/30/828484930.db2.gz PSFORQWIZZZZBB-UHFFFAOYSA-N 1 0 344.393 -0.308 20 5 EBBDRO O=C(CN1CCOCC1=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001129547218 828633941 /nfs/dbraw/zinc/63/39/41/828633941.db2.gz YCNHFBDWSYMRJO-UHFFFAOYSA-N 1 0 336.348 -0.341 20 5 EBBDRO O=C(CN1CCOCC1=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001129550365 828634749 /nfs/dbraw/zinc/63/47/49/828634749.db2.gz FMSPBTAMBXQDFP-UHFFFAOYSA-N 1 0 336.348 -0.341 20 5 EBBDRO COc1nc(C)c([N+](=O)[O-])c(NCCN(CC[NH3+])N(O)N=O)n1 ZINC001161092747 831923576 /nfs/dbraw/zinc/92/35/76/831923576.db2.gz YUCMBMVPVWNCKP-UHFFFAOYSA-N 1 0 330.305 -0.338 20 5 EBBDRO CS(=O)(=O)c1ccc(N[C@]23CC[NH2+][C@H]2CC(=O)N3)c([N+](=O)[O-])c1 ZINC001163254594 832094037 /nfs/dbraw/zinc/09/40/37/832094037.db2.gz OKNSNGUSIHWXSM-AAEUAGOBSA-N 1 0 340.361 -0.012 20 5 EBBDRO Cc1cc(N(C(=N)N)c2ncnc(N3CC[NH2+]CC3)c2[N+](=O)[O-])n[nH]1 ZINC001163508397 832118466 /nfs/dbraw/zinc/11/84/66/832118466.db2.gz SHEXPSUTNKKHJK-UHFFFAOYSA-N 1 0 346.355 -0.143 20 5 EBBDRO O=[N+]([O-])c1c(N2CC[NH2+]CC2)ncnc1N1CCN(C2COC2)CC1 ZINC001163750649 832135031 /nfs/dbraw/zinc/13/50/31/832135031.db2.gz JTZMKBPNEGUXBS-UHFFFAOYSA-N 1 0 349.395 -0.685 20 5 EBBDRO CN(C)C(=O)c1nc(CNc2ncnc(C3C[NH2+]C3)c2[N+](=O)[O-])no1 ZINC001164257315 832178052 /nfs/dbraw/zinc/17/80/52/832178052.db2.gz YGJPUUOOEMOYPK-UHFFFAOYSA-N 1 0 348.323 -0.232 20 5 EBBDRO COC(=O)c1ncc([N+](=O)[O-])c(C)c1N(C)S(=O)(=O)CC[NH3+] ZINC001164296588 832183027 /nfs/dbraw/zinc/18/30/27/832183027.db2.gz GFVSPYAFSILPCB-UHFFFAOYSA-N 1 0 332.338 -0.190 20 5 EBBDRO COc1nc(N2C[C@H]3C[NH2+]C[C@@]3(CO)C2)nc(OC)c1[N+](=O)[O-] ZINC001165283717 832210953 /nfs/dbraw/zinc/21/09/53/832210953.db2.gz KMPSTZYJFLQODI-OQPBUACISA-N 1 0 325.325 -0.580 20 5 EBBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCCNC(=O)c1cccc(=O)n1C ZINC001166333288 832257312 /nfs/dbraw/zinc/25/73/12/832257312.db2.gz LMAFAFOSJCDBNM-UHFFFAOYSA-N 1 0 348.363 -0.063 20 5 EBBDRO C[C@H]1C(=O)N(C)CCN1c1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001167034418 832306350 /nfs/dbraw/zinc/30/63/50/832306350.db2.gz FSFYPMFBELECTH-JTQLQIEISA-N 1 0 335.368 -0.539 20 5 EBBDRO O=C1NCC2(CCOCC2)[C@@H]1[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001176504882 832676758 /nfs/dbraw/zinc/67/67/58/832676758.db2.gz IXGPWCZGBUASDK-VXGBXAGGSA-N 1 0 339.352 -0.963 20 5 EBBDRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC001319458156 838131936 /nfs/dbraw/zinc/13/19/36/838131936.db2.gz KYPZCGNGRYFLRL-GRYCIOLGSA-N 1 0 338.368 -0.104 20 5 EBBDRO CN1C(=O)NCC12CC[NH+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)CC2 ZINC001329180084 840866360 /nfs/dbraw/zinc/86/63/60/840866360.db2.gz OHVGZVYRHIRDBF-GFCCVEGCSA-N 1 0 338.368 -0.358 20 5 EBBDRO CCN(CC[NH3+])C(=O)C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC001329241268 840881965 /nfs/dbraw/zinc/88/19/65/840881965.db2.gz PHJKHXMXZYXWMN-UHFFFAOYSA-N 1 0 336.348 -0.008 20 5 EBBDRO O=[N+]([O-])c1cnn(C[C@H](O)CN2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c1 ZINC001330089652 841113663 /nfs/dbraw/zinc/11/36/63/841113663.db2.gz UEZZOGDIRFMXBC-RBSFLKMASA-N 1 0 339.396 -0.317 20 5 EBBDRO [NH3+]CCCOCCNC(=O)C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001331761248 841487247 /nfs/dbraw/zinc/48/72/47/841487247.db2.gz GSWBPYPFURVGSU-UHFFFAOYSA-N 1 0 336.348 -0.081 20 5 EBBDRO Cc1ccc(S(=O)(=O)NCC(=O)N2CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000577608789 375886233 /nfs/dbraw/zinc/88/62/33/375886233.db2.gz DCYHWGUSMMVDPQ-UHFFFAOYSA-N 1 0 342.377 -0.387 20 5 EBBDRO COc1ccc(CC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cc1[N+](=O)[O-] ZINC000584183562 376218271 /nfs/dbraw/zinc/21/82/71/376218271.db2.gz NGWRCNPUXHDTLR-NWDGAFQWSA-N 1 0 348.359 -0.084 20 5 EBBDRO COc1ccc(CC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000584183561 376218311 /nfs/dbraw/zinc/21/83/11/376218311.db2.gz NGWRCNPUXHDTLR-NEPJUHHUSA-N 1 0 348.359 -0.084 20 5 EBBDRO C[N@H+](CCN1CCCS1(=O)=O)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000610604111 376300498 /nfs/dbraw/zinc/30/04/98/376300498.db2.gz ATJPNIVUBPHCIB-LBPRGKRZSA-N 1 0 347.397 -0.881 20 5 EBBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000588863575 376397775 /nfs/dbraw/zinc/39/77/75/376397775.db2.gz QJCCAMLTIPMTQT-WCQYABFASA-N 1 0 336.348 -0.576 20 5 EBBDRO CCn1cc(S(=O)(=O)NC[C@](C)(O)C[NH+](C)C)c([N+](=O)[O-])n1 ZINC000339046288 376638594 /nfs/dbraw/zinc/63/85/94/376638594.db2.gz AJRPAJMXTRXOAS-NSHDSACASA-N 1 0 335.386 -0.598 20 5 EBBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N[C@H](CO)C[NH+]1CCCCC1 ZINC000288458344 376640933 /nfs/dbraw/zinc/64/09/33/376640933.db2.gz JTXZILZWNKLEKB-LBPRGKRZSA-N 1 0 338.364 -0.281 20 5 EBBDRO COC(=O)C[C@]1([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCOC1 ZINC000362269410 376725505 /nfs/dbraw/zinc/72/55/05/376725505.db2.gz IYWTZKHSNIKZSS-DGCLKSJQSA-N 1 0 328.325 -0.536 20 5 EBBDRO NC(=O)C1(O)CC[NH+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000340216190 376701004 /nfs/dbraw/zinc/70/10/04/376701004.db2.gz BJFQSPXKMHBMBZ-LBPRGKRZSA-N 1 0 339.348 -0.353 20 5 EBBDRO C[NH2+][C@H]1CCN(C(=O)C(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000562821448 376986414 /nfs/dbraw/zinc/98/64/14/376986414.db2.gz KFPJIQOCNDWLIQ-NSHDSACASA-N 1 0 336.348 -0.090 20 5 EBBDRO C[C@@H](CN1CC[NH+](C)CC1)NS(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000570099493 377210335 /nfs/dbraw/zinc/21/03/35/377210335.db2.gz NOIUEVJSMNICLX-NSHDSACASA-N 1 0 343.409 -0.096 20 5 EBBDRO CN1CC[N@H+](C)C[C@@H]1CNc1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000590577802 377639426 /nfs/dbraw/zinc/63/94/26/377639426.db2.gz IYZORMDACAPIJN-NSHDSACASA-N 1 0 343.409 -0.100 20 5 EBBDRO C[C@H](C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)CN1CCOCC1 ZINC000591743619 377755448 /nfs/dbraw/zinc/75/54/48/377755448.db2.gz PVOBOSRBYSBBDK-TZMCWYRMSA-N 1 0 327.385 -0.290 20 5 EBBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000592477187 377838602 /nfs/dbraw/zinc/83/86/02/377838602.db2.gz SDOSQEGUCANOJM-RISCZKNCSA-N 1 0 349.391 -0.186 20 5 EBBDRO [NH3+]CCN(Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C[C@@H](O)CO ZINC000595901201 378034001 /nfs/dbraw/zinc/03/40/01/378034001.db2.gz DNRYPBUDPVTJHT-GFCCVEGCSA-N 1 0 337.336 -0.241 20 5 EBBDRO NS(=O)(=O)c1ccc(N2CCC[N@H+](CCO)CC2)cc1[N+](=O)[O-] ZINC000596113297 378052401 /nfs/dbraw/zinc/05/24/01/378052401.db2.gz TYZIYGXIZRORBW-UHFFFAOYSA-N 1 0 344.393 -0.253 20 5 EBBDRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000596817706 378073715 /nfs/dbraw/zinc/07/37/15/378073715.db2.gz RLKNFVZUTUNATH-UHFFFAOYSA-N 1 0 338.368 -0.105 20 5 EBBDRO Nc1nc(N2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)nc(N)[nH+]1 ZINC000599086485 378196867 /nfs/dbraw/zinc/19/68/67/378196867.db2.gz MFHBTCBMJIFMHE-UHFFFAOYSA-N 1 0 344.335 -0.433 20 5 EBBDRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000598188457 378159782 /nfs/dbraw/zinc/15/97/82/378159782.db2.gz SZRQYJVMXDMHIO-UHFFFAOYSA-N 1 0 326.357 -0.580 20 5 EBBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000599900184 378281722 /nfs/dbraw/zinc/28/17/22/378281722.db2.gz SJWUIJJOXTXSDT-VIFPVBQESA-N 1 0 338.320 -0.354 20 5 EBBDRO [NH3+][C@@H]1C[C@H]2CN(C(=O)c3cc4c(cc3[N+](=O)[O-])OCO4)CCN2C1=O ZINC000568654416 378406607 /nfs/dbraw/zinc/40/66/07/378406607.db2.gz PYIURLKGITYPCQ-WCBMZHEXSA-N 1 0 348.315 -0.293 20 5 EBBDRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000341848597 378377898 /nfs/dbraw/zinc/37/78/98/378377898.db2.gz BHQGQIKOUCXHRS-LLVKDONJSA-N 1 0 338.368 -0.505 20 5 EBBDRO O=C(NC1CC1)N[C@H]1CC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000274064884 379241810 /nfs/dbraw/zinc/24/18/10/379241810.db2.gz UHJPGHNDPMAYBC-WCQYABFASA-N 1 0 338.368 -0.312 20 5 EBBDRO [NH3+]C1(CNC(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)CCCCC1 ZINC000419465674 379340879 /nfs/dbraw/zinc/34/08/79/379340879.db2.gz PJFPJOPQLLFNGJ-UHFFFAOYSA-N 1 0 338.368 -0.315 20 5 EBBDRO C[C@H](O)C[N@@H+]1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H](C)C1 ZINC000249525205 379370022 /nfs/dbraw/zinc/37/00/22/379370022.db2.gz XUUCDMMQUSHKIW-SGMGOOAPSA-N 1 0 327.385 -0.461 20 5 EBBDRO O=C(NCCn1cc([N+](=O)[O-])cn1)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000372037836 379411990 /nfs/dbraw/zinc/41/19/90/379411990.db2.gz QUGZYBSLRAAPCL-DGCLKSJQSA-N 1 0 338.368 -0.046 20 5 EBBDRO C[NH+]1CCN(CCNC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000281171689 379520581 /nfs/dbraw/zinc/52/05/81/379520581.db2.gz QSMOIXBSUWXLKF-UHFFFAOYSA-N 1 0 349.391 -0.312 20 5 EBBDRO C[N@@H+]1CC[C@](O)(CNC(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C1 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COC(=O)c1ccc([N+](=O)[O-])c(N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)n1 ZINC000576887223 381930288 /nfs/dbraw/zinc/93/02/88/381930288.db2.gz FIPCKSGQVDVHGZ-DTWKUNHWSA-N 1 0 335.320 -0.475 20 5 EBBDRO CC(C)(O)C[NH+]1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000330668082 155299025 /nfs/dbraw/zinc/29/90/25/155299025.db2.gz YVLNTLRZGHSGAU-UHFFFAOYSA-N 1 0 338.364 -0.328 20 5 EBBDRO C[C@H]([NH3+])[C@H](C)C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000262529670 154236453 /nfs/dbraw/zinc/23/64/53/154236453.db2.gz MWYQKXJAOFZSTC-UWVGGRQHSA-N 1 0 344.393 -0.027 20 5 EBBDRO C[C@H](C[NH3+])C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000262555930 154236845 /nfs/dbraw/zinc/23/68/45/154236845.db2.gz PNZSFGZIYZHFCW-SECBINFHSA-N 1 0 330.366 -0.416 20 5 EBBDRO C[NH2+]CCCC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000262613352 154239484 /nfs/dbraw/zinc/23/94/84/154239484.db2.gz JSMHYRUJWFDEQX-UHFFFAOYSA-N 1 0 344.393 -0.011 20 5 EBBDRO O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(C(=O)[C@H]2C[NH2+]CCO2)CC1 ZINC000262640524 154240732 /nfs/dbraw/zinc/24/07/32/154240732.db2.gz RDEWZSOBLSVVFF-CQSZACIVSA-N 1 0 348.359 -0.132 20 5 EBBDRO C[NH2+]CCN(C)C(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000263279830 154256694 /nfs/dbraw/zinc/25/66/94/154256694.db2.gz ZRNPVKFCJGELGL-UHFFFAOYSA-N 1 0 344.393 -0.059 20 5 EBBDRO CC[NH+](CC)CC(=O)N1CCN(c2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000264215653 154274658 /nfs/dbraw/zinc/27/46/58/154274658.db2.gz NUBPKFRBHORHDQ-UHFFFAOYSA-N 1 0 337.384 -0.043 20 5 EBBDRO C[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000292128896 155028770 /nfs/dbraw/zinc/02/87/70/155028770.db2.gz IOFURDLAAFLLRY-JQWIXIFHSA-N 1 0 347.397 -0.882 20 5 EBBDRO C[NH+](C)CCNS(=O)(=O)c1ccc(NCCO)c([N+](=O)[O-])c1 ZINC000298202987 155104390 /nfs/dbraw/zinc/10/43/90/155104390.db2.gz LEGSQEYZUQJSME-UHFFFAOYSA-N 1 0 332.382 -0.161 20 5 EBBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000358217925 157229671 /nfs/dbraw/zinc/22/96/71/157229671.db2.gz VSJCSNJPXUMTTN-CYBMUJFWSA-N 1 0 345.377 -0.052 20 5 EBBDRO C[N@@H+]1CC[C@](O)(CNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000358331588 157234093 /nfs/dbraw/zinc/23/40/93/157234093.db2.gz RHBINIRPGJSDNB-LBPRGKRZSA-N 1 0 330.366 -0.279 20 5 EBBDRO C[C@H](O)C[N@@H+]1CCN(C(=O)NCCn2cc([N+](=O)[O-])cn2)C[C@H]1C ZINC000248625833 419076875 /nfs/dbraw/zinc/07/68/75/419076875.db2.gz OANPVKGFNINONS-NEPJUHHUSA-N 1 0 340.384 -0.112 20 5 EBBDRO COC(=O)[C@H]1CSCC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000412087663 419139773 /nfs/dbraw/zinc/13/97/73/419139773.db2.gz WGKVUVXMJNQPML-ZYHUDNBSSA-N 1 0 344.393 -0.010 20 5 EBBDRO C[C@H](C[NH3+])CNC(=O)C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000419951290 420907529 /nfs/dbraw/zinc/90/75/29/420907529.db2.gz IJQSUGYTYOZRKC-SNVBAGLBSA-N 1 0 336.348 -0.105 20 5 EBBDRO CN(CC[NH3+])C(=O)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000422986757 420921192 /nfs/dbraw/zinc/92/11/92/420921192.db2.gz DJKUIZBFPUDQDW-UHFFFAOYSA-N 1 0 335.364 -0.340 20 5 EBBDRO C[C@H]1CN(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC[NH2+]1 ZINC000422838015 420921270 /nfs/dbraw/zinc/92/12/70/420921270.db2.gz NNPJBJVYSYKELF-JTQLQIEISA-N 1 0 342.377 -0.307 20 5 EBBDRO O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])NC[C@@H]1CCC[NH2+]1 ZINC000422792760 420921569 /nfs/dbraw/zinc/92/15/69/420921569.db2.gz WJNMHYKLPRWCBY-JTQLQIEISA-N 1 0 342.377 -0.259 20 5 EBBDRO CC1(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C[NH2+]C1 ZINC000423101646 420923302 /nfs/dbraw/zinc/92/33/02/420923302.db2.gz WEQHEHFAXOVHNL-UHFFFAOYSA-N 1 0 342.377 -0.401 20 5 EBBDRO O=C1NCCN1[C@@H]1CCC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000533492268 420932630 /nfs/dbraw/zinc/93/26/30/420932630.db2.gz JVAYLOCSXMQNEV-DGCLKSJQSA-N 1 0 338.368 -0.358 20 5 EBBDRO C[NH+](C)CCn1ccc(NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)n1 ZINC000338649757 421193470 /nfs/dbraw/zinc/19/34/70/421193470.db2.gz OPJHTLCPRMXEMJ-UHFFFAOYSA-N 1 0 334.336 0.153 20 5 EBBDRO CNc1nccc(C(=O)N2CCC[C@@](O)(C[NH+](C)C)C2)c1[N+](=O)[O-] ZINC000597573337 421220527 /nfs/dbraw/zinc/22/05/27/421220527.db2.gz DOOOCIRCRZHGKN-OAHLLOKOSA-N 1 0 337.380 0.560 20 5 EBBDRO COc1ccc(S(=O)(=O)NC[C@@H]2C[NH2+]CCN2C)cc1[N+](=O)[O-] ZINC000394068356 264686987 /nfs/dbraw/zinc/68/69/87/264686987.db2.gz NDYCGCIQKYNXMI-JTQLQIEISA-N 1 0 344.393 -0.215 20 5 EBBDRO C[NH2+]CCNC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000417282550 264812397 /nfs/dbraw/zinc/81/23/97/264812397.db2.gz PXGSTTKBEMYUKZ-UHFFFAOYSA-N 1 0 345.381 -0.608 20 5 EBBDRO O=C(NCCn1cc([N+](=O)[O-])cn1)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000419459605 264869041 /nfs/dbraw/zinc/86/90/41/264869041.db2.gz DDMISTXJSRJFED-PHIMTYICSA-N 1 0 336.352 -0.740 20 5 EBBDRO C[C@H]1CCN(C(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)C[C@@H]1C[NH3+] ZINC000419469932 264871642 /nfs/dbraw/zinc/87/16/42/264871642.db2.gz XJXRVDYDGXBEHG-QWRGUYRKSA-N 1 0 338.368 -0.649 20 5 EBBDRO C[C@H](C[NH3+])CNC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000423457702 265006516 /nfs/dbraw/zinc/00/65/16/265006516.db2.gz PHMQAIBGHLMKRC-SECBINFHSA-N 1 0 330.366 -0.416 20 5 EBBDRO Cc1cc(C(=O)NCC(=O)N2CCO[C@@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000423538448 265011283 /nfs/dbraw/zinc/01/12/83/265011283.db2.gz MWYKODNDRFKRFI-LBPRGKRZSA-N 1 0 336.348 -0.181 20 5 EBBDRO C[C@H]1CN(C(=O)C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)C[C@H]1[NH3+] ZINC000423567446 265012436 /nfs/dbraw/zinc/01/24/36/265012436.db2.gz CWSXCUJCXKYFMV-IINYFYTJSA-N 1 0 348.359 -0.010 20 5 EBBDRO C[NH2+][C@H](C)CNC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000423630777 265022352 /nfs/dbraw/zinc/02/23/52/265022352.db2.gz LPOVMYOQEVJHEQ-SECBINFHSA-N 1 0 330.366 -0.403 20 5 EBBDRO O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@H]1CC[NH2+]1 ZINC000444117920 265360143 /nfs/dbraw/zinc/36/01/43/265360143.db2.gz ULOOGSXCJIJIBA-SECBINFHSA-N 1 0 328.350 -0.649 20 5 EBBDRO C[NH+](C)C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)CCO1 ZINC000736758630 582953952 /nfs/dbraw/zinc/95/39/52/582953952.db2.gz HLSSVTOUCCMWNH-SNVBAGLBSA-N 1 0 334.340 -0.063 20 5 EBBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@@H](CO)CN2CCOCC2)cc1 ZINC000843113396 584071301 /nfs/dbraw/zinc/07/13/01/584071301.db2.gz NTUOCWGFMHCJQX-HIFRSBDPSA-N 1 0 325.365 -0.089 20 5 EBBDRO C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000851690988 584199986 /nfs/dbraw/zinc/19/99/86/584199986.db2.gz CQBYCAQJVMMNIT-GFCCVEGCSA-N 1 0 349.391 -0.033 20 5 EBBDRO CN(C)S(=O)(=O)N1CC([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000863587393 584374142 /nfs/dbraw/zinc/37/41/42/584374142.db2.gz MKYGRBFMNXXDFT-CYBMUJFWSA-N 1 0 344.393 -0.292 20 5 EBBDRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000594374036 650016027 /nfs/dbraw/zinc/01/60/27/650016027.db2.gz LRIZUSGHXQORNS-VIFPVBQESA-N 1 0 336.352 -0.236 20 5 EBBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]C1CCN(C(=O)c2nc[nH]n2)CC1 ZINC000997097146 726438013 /nfs/dbraw/zinc/43/80/13/726438013.db2.gz MUZFTKPIAIHGNU-UHFFFAOYSA-N 1 0 334.340 -0.159 20 5 EBBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1C[C@H](NC(=O)c2c[nH]c(=O)n2C)C1 ZINC001020469271 729179189 /nfs/dbraw/zinc/17/91/89/729179189.db2.gz SBCPSTLLZZKXPN-KYZUINATSA-N 1 0 349.351 -0.182 20 5 EBBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001020486630 729183658 /nfs/dbraw/zinc/18/36/58/729183658.db2.gz IJSGTQUXUZESDX-OZHLHINWSA-N 1 0 335.364 -0.043 20 5 EBBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1C[C@@H](NC(=O)Cn2cccn2)C1 ZINC001021836148 729341217 /nfs/dbraw/zinc/34/12/17/729341217.db2.gz JVMVQKZEHHKKGA-PHIMTYICSA-N 1 0 333.352 -0.038 20 5 EBBDRO Cc1nn[nH]c1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2c([N+](=O)[O-])ncn2C)C1 ZINC001022526768 729503432 /nfs/dbraw/zinc/50/34/32/729503432.db2.gz HCPWSRNMMANVGP-DTORHVGOSA-N 1 0 334.340 -0.195 20 5 EBBDRO O=C(C[NH+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CC1)NC1CC1 ZINC001050517458 734916823 /nfs/dbraw/zinc/91/68/23/734916823.db2.gz UJXYBNOBSPKQKG-CHWSQXEVSA-N 1 0 336.392 -0.145 20 5 EBBDRO Cc1nc[nH]c1CC(=O)N1CCN(c2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC001055869853 736528018 /nfs/dbraw/zinc/52/80/18/736528018.db2.gz KGUROPCJJMUPMC-UHFFFAOYSA-N 1 0 346.351 -0.110 20 5 EBBDRO C[NH+](C)CCC(=O)N1CCOC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 ZINC001068455734 740331344 /nfs/dbraw/zinc/33/13/44/740331344.db2.gz DLSOBRMARMDCJE-VXGBXAGGSA-N 1 0 340.380 -0.957 20 5 EBBDRO CCN(C(=O)COCC[NH+](C)C)C1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001080138870 811912698 /nfs/dbraw/zinc/91/26/98/811912698.db2.gz RMCQCJZIASTAQD-CHWSQXEVSA-N 1 0 342.396 -0.711 20 5 EBBDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC001261407537 812903203 /nfs/dbraw/zinc/90/32/03/812903203.db2.gz IJSTWUKHUUQBSL-NSHDSACASA-N 1 0 338.368 -0.540 20 5 EBBDRO Cc1nn(C)c(C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)c1[N+](=O)[O-] ZINC001261456132 812910173 /nfs/dbraw/zinc/91/01/73/812910173.db2.gz MPJNTTVQMDPTKK-WDEREUQCSA-N 1 0 333.352 -0.063 20 5 EBBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1C[C@H](CNC(=O)Cn2cncn2)C1 ZINC001264438812 813176638 /nfs/dbraw/zinc/17/66/38/813176638.db2.gz BAAITELSVSQWBZ-XYPYZODXSA-N 1 0 348.367 -0.396 20 5 EBBDRO CN(CC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)CN1CCNC(=O)C1 ZINC001267412128 813883275 /nfs/dbraw/zinc/88/32/75/813883275.db2.gz KBFCKOVOZARSLU-UHFFFAOYSA-N 1 0 349.391 -0.425 20 5 EBBDRO CN(CCC[NH2+]Cc1c([N+](=O)[O-])ncn1C)C(=O)c1c[nH]c(=O)cn1 ZINC001268825592 814399871 /nfs/dbraw/zinc/39/98/71/814399871.db2.gz MWCGDAYPYKATNS-UHFFFAOYSA-N 1 0 349.351 -0.337 20 5 EBBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@@H]1C[C@@H](CNC(=O)c2nnn(C)n2)C1 ZINC001086450228 816342119 /nfs/dbraw/zinc/34/21/19/816342119.db2.gz LZMZWSGURHGMOC-KYZUINATSA-N 1 0 349.355 -0.850 20 5 EBBDRO C[NH+](C)CCC(=O)N1CCC(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001283453362 818814445 /nfs/dbraw/zinc/81/44/45/818814445.db2.gz KIDCBLMADQEJIP-CHWSQXEVSA-N 1 0 326.397 -0.042 20 5 EBBDRO CCN(CCNC(=O)CC[NH+](C)C)c1ncc([N+](=O)[O-])c(N)n1 ZINC001100700903 820517406 /nfs/dbraw/zinc/51/74/06/820517406.db2.gz SXGCWCSJYWGVAB-UHFFFAOYSA-N 1 0 325.373 -0.139 20 5 EBBDRO COC1CC[NH+](CCNC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC1 ZINC001294233987 820905343 /nfs/dbraw/zinc/90/53/43/820905343.db2.gz SZEUPSZCILITPP-UHFFFAOYSA-N 1 0 338.364 -0.017 20 5 EBBDRO CCn1cc([N+](=O)[O-])c(C(=O)NCCN2CCC3(C2)OCCO3)n1 ZINC001301182457 821746591 /nfs/dbraw/zinc/74/65/91/821746591.db2.gz WGFPRIWWMZZEGW-UHFFFAOYSA-N 1 0 339.352 -0.010 20 5 EBBDRO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CC([NH2+]C3CCOCC3)C2)n1 ZINC001309850767 821782932 /nfs/dbraw/zinc/78/29/32/821782932.db2.gz NPMPPXBVYVDEEE-UHFFFAOYSA-N 1 0 345.381 -0.530 20 5 EBBDRO C[C@H](CNC(=O)Cn1cnc([N+](=O)[O-])n1)C[NH+]1CCN(C)CC1 ZINC001318491855 822327700 /nfs/dbraw/zinc/32/77/00/822327700.db2.gz SHUAGIXASINSDR-LLVKDONJSA-N 1 0 325.373 -0.814 20 5 EBBDRO C[NH+](C)C1CCN(CCNC(=O)Cn2cnc([N+](=O)[O-])n2)CC1 ZINC001116204753 826604115 /nfs/dbraw/zinc/60/41/15/826604115.db2.gz GDCYVTNZJWSTLP-UHFFFAOYSA-N 1 0 325.373 -0.672 20 5 EBBDRO Cn1cc([C@@H]2CN(C(=O)CCn3cc([N+](=O)[O-])cn3)C[C@H]2[NH3+])cn1 ZINC001118125588 826856845 /nfs/dbraw/zinc/85/68/45/826856845.db2.gz UWBKADWWCYZUBV-QWHCGFSZSA-N 1 0 333.352 -0.132 20 5 EBBDRO CN(CCOCC[NH3+])C(=O)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC001118865326 827010679 /nfs/dbraw/zinc/01/06/79/827010679.db2.gz KWJIPDBLJWERIS-UHFFFAOYSA-N 1 0 338.364 -0.313 20 5 EBBDRO O=C(C[NH2+]CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])NCc1ccc(F)cc1 ZINC001126936884 828233578 /nfs/dbraw/zinc/23/35/78/828233578.db2.gz WASAIMLXFZPKCH-CHWSQXEVSA-N 1 0 338.339 -0.187 20 5 EBBDRO Cc1ccccc1CNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126942787 828234919 /nfs/dbraw/zinc/23/49/19/828234919.db2.gz GTVIMOXVJFOFQK-ZIAGYGMSSA-N 1 0 334.376 -0.018 20 5 EBBDRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC001136689704 830088766 /nfs/dbraw/zinc/08/87/66/830088766.db2.gz PWUNMRNNTRQAPB-GFCCVEGCSA-N 1 0 337.380 -0.491 20 5 EBBDRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC001136689705 830089123 /nfs/dbraw/zinc/08/91/23/830089123.db2.gz PWUNMRNNTRQAPB-LBPRGKRZSA-N 1 0 337.380 -0.491 20 5 EBBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCCNC(=O)c1cc[n+]([O-])cc1 ZINC001154372756 831329470 /nfs/dbraw/zinc/32/94/70/831329470.db2.gz FGURNWHKZRUFRS-UHFFFAOYSA-N 1 0 334.336 -0.129 20 5 EBBDRO CC(=O)N1CC(C(=O)NCCC[NH2+]Cc2c([N+](=O)[O-])ncn2C)C1 ZINC001157116639 831535993 /nfs/dbraw/zinc/53/59/93/831535993.db2.gz MQANGXOJNUTTFI-UHFFFAOYSA-N 1 0 338.368 -0.598 20 5 EBBDRO CCn1ncc(C(=O)NCCC[NH2+]Cc2c([N+](=O)[O-])ncn2C)n1 ZINC001157521125 831575257 /nfs/dbraw/zinc/57/52/57/831575257.db2.gz RUTREMFXFYLGGT-UHFFFAOYSA-N 1 0 336.356 -0.151 20 5 EBBDRO CC(C)(C)n1nnnc1C[NH2+]CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157760302 831590745 /nfs/dbraw/zinc/59/07/45/831590745.db2.gz BAGDYGVXLLIIDV-NXEZZACHSA-N 1 0 325.373 -0.311 20 5 EBBDRO CC(C)(C)n1nnc(CC[NH2+]CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 ZINC001157767810 831591373 /nfs/dbraw/zinc/59/13/73/831591373.db2.gz VPKIXWIDACKILN-GHMZBOCLSA-N 1 0 339.400 -0.268 20 5 EBBDRO CC1(C)NC(=O)N(CC[NH2+]CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1=O ZINC001157775795 831593308 /nfs/dbraw/zinc/59/33/08/831593308.db2.gz XDOSKJRJEBFJQU-NXEZZACHSA-N 1 0 341.368 -0.922 20 5 EBBDRO COC(=O)c1nc(Cl)nc(N2C[C@@H](OC)[C@@H]([NH3+])C2)c1[N+](=O)[O-] ZINC001158705656 831681094 /nfs/dbraw/zinc/68/10/94/831681094.db2.gz RUKLIGJVMDJDBI-NTSWFWBYSA-N 1 0 331.716 -0.013 20 5 EBBDRO CC(=O)N[C@H]1C[C@H](Nc2ncnc(N3CC[NH2+]CC3)c2[N+](=O)[O-])C1 ZINC001159508092 831757732 /nfs/dbraw/zinc/75/77/32/831757732.db2.gz PPYATBRNPHMEIH-XYPYZODXSA-N 1 0 335.368 -0.127 20 5 EBBDRO CNC(=O)CN1CCC(Nc2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)CC1 ZINC001161144039 831931322 /nfs/dbraw/zinc/93/13/22/831931322.db2.gz GOBYFYWUBRINOW-UHFFFAOYSA-N 1 0 349.395 -0.306 20 5 EBBDRO COC(=O)CC[C@H](Nc1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1)C(N)=O ZINC001161761795 831990153 /nfs/dbraw/zinc/99/01/53/831990153.db2.gz LZCGXSDOMYRPHC-QMMMGPOBSA-N 1 0 338.324 -0.709 20 5 EBBDRO CCOC(=O)[C@H](N)CNc1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001161944933 832005266 /nfs/dbraw/zinc/00/52/66/832005266.db2.gz AYZOMYOWPJRBBT-SECBINFHSA-N 1 0 339.356 -0.903 20 5 EBBDRO NC(=O)c1ccnc(NCc2nnc3n2CCC[NH2+]C3)c1[N+](=O)[O-] ZINC001163016397 832076319 /nfs/dbraw/zinc/07/63/19/832076319.db2.gz CTSXXKYPKODHJX-UHFFFAOYSA-N 1 0 332.324 -0.214 20 5 EBBDRO N[C@H]1CN(c2ncnc(N3CC[NH2+]CC3)c2[N+](=O)[O-])CCC1(F)F ZINC001164319609 832183659 /nfs/dbraw/zinc/18/36/59/832183659.db2.gz KSEJASGESNGRNL-VIFPVBQESA-N 1 0 343.338 -0.033 20 5 EBBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CC(=O)NC3(CC[NH2+]CC3)C2)n1 ZINC001165257166 832209152 /nfs/dbraw/zinc/20/91/52/832209152.db2.gz HECMRTMGJQSMKK-UHFFFAOYSA-N 1 0 349.347 -0.165 20 5 EBBDRO COc1nc(N2CCCO[C@]3(C[NH2+]CCOC3)C2)ncc1[N+](=O)[O-] ZINC001165340913 832216086 /nfs/dbraw/zinc/21/60/86/832216086.db2.gz YFHHVALOCZXFRE-CQSZACIVSA-N 1 0 339.352 -0.021 20 5 EBBDRO CS(=O)(=O)N1CCN(CC[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168976570 832442313 /nfs/dbraw/zinc/44/23/13/832442313.db2.gz DQTJELSZUYZDSP-STQMWFEESA-N 1 0 334.442 -0.401 20 5 EBBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@@H](CC(N)=O)C(N)=O)c1F ZINC001173178744 832583712 /nfs/dbraw/zinc/58/37/12/832583712.db2.gz IAHLXFQJMFAYMD-APPZFPTMSA-N 1 0 342.327 -0.008 20 5 EBBDRO NC(=O)C[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCOCC1 ZINC001175782397 832645054 /nfs/dbraw/zinc/64/50/54/832645054.db2.gz KSBXZFPNUDIFPS-LBPRGKRZSA-N 1 0 327.341 -0.882 20 5 EBBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1C[C@@H](C)[C@H](CS(N)(=O)=O)C1 ZINC001176611255 832682095 /nfs/dbraw/zinc/68/20/95/832682095.db2.gz URHVRUGUORJGPV-KOLCDFICSA-N 1 0 331.398 -0.044 20 5 EBBDRO COC(=O)COc1ccc(C[NH2+]C[C@H](O)[C@H](C)O)cc1[N+](=O)[O-] ZINC001179274852 832964950 /nfs/dbraw/zinc/96/49/50/832964950.db2.gz UJFVEYLAOQRFOQ-CABZTGNLSA-N 1 0 328.321 -0.022 20 5 EBBDRO Cn1cc(C[NH2+]C2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCOCC2)cn1 ZINC001325002311 839751265 /nfs/dbraw/zinc/75/12/65/839751265.db2.gz JQTHJYRAAUGVIH-CHWSQXEVSA-N 1 0 337.380 -0.160 20 5 EBBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCN(CCO)C(=O)c1cccnn1 ZINC001326118924 840038407 /nfs/dbraw/zinc/03/84/07/840038407.db2.gz HEFNZCCGAZPYNL-UHFFFAOYSA-N 1 0 349.351 -0.657 20 5 EBBDRO CC[NH+]1CCN([C@H](C)CNC(=O)Cn2cnc([N+](=O)[O-])n2)CC1 ZINC001328076855 840580327 /nfs/dbraw/zinc/58/03/27/840580327.db2.gz VIJJIKRXDAHHDO-LLVKDONJSA-N 1 0 325.373 -0.672 20 5 EBBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC001328732647 840736447 /nfs/dbraw/zinc/73/64/47/840736447.db2.gz LJGCRIJDFLJPHX-NSHDSACASA-N 1 0 336.348 -0.042 20 5 EBBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)C(=O)NCC12CC(C1)C[NH2+]2 ZINC001329822139 841031393 /nfs/dbraw/zinc/03/13/93/841031393.db2.gz KSVDDEOTXGIKPU-UHFFFAOYSA-N 1 0 348.359 -0.042 20 5 EBBDRO C[C@@H]([NH3+])CN(C)C(=O)C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC001335392028 842272476 /nfs/dbraw/zinc/27/24/76/842272476.db2.gz MUDAHPHHEAMZKU-SNVBAGLBSA-N 1 0 336.348 -0.010 20 5 EBBDRO CC(C)(CC[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)S(C)(=O)=O ZINC000575116725 376513599 /nfs/dbraw/zinc/51/35/99/376513599.db2.gz KKLHBVSSYUAMKJ-NSHDSACASA-N 1 0 334.398 -0.045 20 5 EBBDRO CC[N@@H+]1CC[C@H]2OCCN(C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)[C@H]2C1 ZINC000550225707 376540397 /nfs/dbraw/zinc/54/03/97/376540397.db2.gz MFYNYCXZMMOIBH-QLFBSQMISA-N 1 0 339.396 -0.053 20 5 EBBDRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)Cn2ncc([N+](=O)[O-])c2N)C1 ZINC000127507091 376615352 /nfs/dbraw/zinc/61/53/52/376615352.db2.gz WQJSLQQQLZEXTQ-LLVKDONJSA-N 1 0 340.384 -0.154 20 5 EBBDRO CNS(=O)(=O)[C@@H]1CCC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000363349733 376797911 /nfs/dbraw/zinc/79/79/11/376797911.db2.gz RLURLSNOWWVBIW-VXGBXAGGSA-N 1 0 347.397 -0.834 20 5 EBBDRO CC[C@@H](CNS(C)(=O)=O)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000570794720 377282058 /nfs/dbraw/zinc/28/20/58/377282058.db2.gz FVYJDXMZHDPGDZ-GXSJLCMTSA-N 1 0 335.386 -0.930 20 5 EBBDRO CS(=O)(=O)NCC[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000564652350 377445032 /nfs/dbraw/zinc/44/50/32/377445032.db2.gz YWWBSGHBKCNUSJ-LLVKDONJSA-N 1 0 333.366 -0.527 20 5 EBBDRO CCS(=O)(=O)NCC[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000566106031 377483342 /nfs/dbraw/zinc/48/33/42/377483342.db2.gz FAVGEYIUKMOVIR-NSHDSACASA-N 1 0 347.393 -0.137 20 5 EBBDRO [NH3+][C@H]1C[C@H]2CN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CCN2C1=O ZINC000594876030 377965721 /nfs/dbraw/zinc/96/57/21/377965721.db2.gz ZTMGSWYBVFLXQA-JQWIXIFHSA-N 1 0 340.361 -0.473 20 5 EBBDRO [NH3+]CCN(CCC(=O)Nc1ccccc1[N+](=O)[O-])C[C@H](O)CO ZINC000595903661 378036097 /nfs/dbraw/zinc/03/60/97/378036097.db2.gz ZKVHYPHCPTUBOC-NSHDSACASA-N 1 0 326.353 -0.463 20 5 EBBDRO NC(=O)C1([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCOCC1 ZINC000595727947 378026237 /nfs/dbraw/zinc/02/62/37/378026237.db2.gz GTDSRXFKSVNGAO-GFCCVEGCSA-N 1 0 339.348 -0.041 20 5 EBBDRO NS(=O)(=O)c1ccc(C(=O)N2CC[N@@H+]3CC[C@H]2C3)cc1[N+](=O)[O-] ZINC000597708086 378129233 /nfs/dbraw/zinc/12/92/33/378129233.db2.gz IFXLZYTUQNRFTK-JTQLQIEISA-N 1 0 340.361 -0.228 20 5 EBBDRO COC[C@]1(CNS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CCC[NH2+]1 ZINC000599105434 378196480 /nfs/dbraw/zinc/19/64/80/378196480.db2.gz CIUFOBAINOBKBK-LLVKDONJSA-N 1 0 333.370 -0.625 20 5 EBBDRO CNS(=O)(=O)c1ccc(NCC[N@@H+]2CC[C@@H](O)C2)c([N+](=O)[O-])c1 ZINC000599175959 378201034 /nfs/dbraw/zinc/20/10/34/378201034.db2.gz LAYKVKYAXMFRFY-SNVBAGLBSA-N 1 0 344.393 -0.019 20 5 EBBDRO CN1CC[NH2+]C[C@@H]1CNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000567671227 378175208 /nfs/dbraw/zinc/17/52/08/378175208.db2.gz KKPDSWNWUTVRLP-GFCCVEGCSA-N 1 0 345.363 -0.191 20 5 EBBDRO COc1ccc(NC(=O)C(=O)NC[C@H]2COCC[NH2+]2)cc1[N+](=O)[O-] ZINC000599900552 378282184 /nfs/dbraw/zinc/28/21/84/378282184.db2.gz XBQJYYMWUAWYDF-JTQLQIEISA-N 1 0 338.320 -0.354 20 5 EBBDRO [NH3+][C@H]1C[C@H]2CN(C(=O)c3cc4c(cc3[N+](=O)[O-])OCO4)CCN2C1=O ZINC000568654417 378406723 /nfs/dbraw/zinc/40/67/23/378406723.db2.gz PYIURLKGITYPCQ-WPRPVWTQSA-N 1 0 348.315 -0.293 20 5 EBBDRO CNC(=O)c1ccc(N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000571418644 378551270 /nfs/dbraw/zinc/55/12/70/378551270.db2.gz XGFGODOUDYCOSH-WDEREUQCSA-N 1 0 333.348 -0.297 20 5 EBBDRO NS(=O)(=O)c1cc([N+](=O)[O-])cc(N2CCC[N@H+](CCO)CC2)c1 ZINC000265847147 379204102 /nfs/dbraw/zinc/20/41/02/379204102.db2.gz UPJASKBSOKIJDY-UHFFFAOYSA-N 1 0 344.393 -0.253 20 5 EBBDRO [NH3+]CCNC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000417286146 379325814 /nfs/dbraw/zinc/32/58/14/379325814.db2.gz VBYBHLPTIAQSIV-UHFFFAOYSA-N 1 0 331.354 -0.869 20 5 EBBDRO O=[N+]([O-])c1cnn(C[C@H](O)CN2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000075590420 379301505 /nfs/dbraw/zinc/30/15/05/379301505.db2.gz MGXHEEBYESUCML-CABCVRRESA-N 1 0 339.396 -0.051 20 5 EBBDRO C[C@@H](C[NH3+])NC(=O)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000420031961 379348288 /nfs/dbraw/zinc/34/82/88/379348288.db2.gz SLSBSNLJQYBVES-NSHDSACASA-N 1 0 335.364 -0.293 20 5 EBBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000428948639 379444315 /nfs/dbraw/zinc/44/43/15/379444315.db2.gz UPTRPENDXPKIAT-LLVKDONJSA-N 1 0 338.368 -0.587 20 5 EBBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000377514408 379445880 /nfs/dbraw/zinc/44/58/80/379445880.db2.gz YQHRTQVOLJRWBN-STQMWFEESA-N 1 0 336.348 -0.264 20 5 EBBDRO COc1ccc(NC(=O)CC[N@H+]2C[C@@H](O)[C@@H](O)C2)c([N+](=O)[O-])c1 ZINC000278674554 379500369 /nfs/dbraw/zinc/50/03/69/379500369.db2.gz IJSGQCGBDWEFKQ-BETUJISGSA-N 1 0 325.321 -0.031 20 5 EBBDRO C[NH+](C)CC(=O)N1CCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000277920676 379495311 /nfs/dbraw/zinc/49/53/11/379495311.db2.gz PVYVSJUCPXPOIX-UHFFFAOYSA-N 1 0 337.336 -0.459 20 5 EBBDRO CCC[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CC(=O)N(C)C1=O ZINC000282402266 379538689 /nfs/dbraw/zinc/53/86/89/379538689.db2.gz FIPUAAIVKFRFCW-NWDGAFQWSA-N 1 0 339.352 -0.379 20 5 EBBDRO C[NH+](C)CCN1C[C@H](C(=O)NCCn2cc([N+](=O)[O-])cn2)CC1=O ZINC000156982284 379551141 /nfs/dbraw/zinc/55/11/41/379551141.db2.gz BUIUNWKIAVMWKX-LLVKDONJSA-N 1 0 338.368 -0.682 20 5 EBBDRO C[C@H]1CN(c2cc([N+](=O)[O-])ccc2S(N)(=O)=O)CCN1CCO ZINC000490075751 379563812 /nfs/dbraw/zinc/56/38/12/379563812.db2.gz ZEPAZDNXWIIMGH-JTQLQIEISA-N 1 0 344.393 -0.255 20 5 EBBDRO O=C(NCC[N@H+]1CC[C@H](O)C1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000600808418 379660827 /nfs/dbraw/zinc/66/08/27/379660827.db2.gz NVBZKTKGGCVQEF-ZDUSSCGKSA-N 1 0 346.347 -0.028 20 5 EBBDRO C[NH+]1CCN(CCCNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000354319881 379705680 /nfs/dbraw/zinc/70/56/80/379705680.db2.gz SUYOBWMPDXHZHS-UHFFFAOYSA-N 1 0 337.380 -0.490 20 5 EBBDRO CC[NH2+]CCNC(=O)c1cc(S(N)(=O)=O)cc([N+](=O)[O-])c1C ZINC000269154000 380234859 /nfs/dbraw/zinc/23/48/59/380234859.db2.gz SFTIUDSRRXELJF-UHFFFAOYSA-N 1 0 330.366 -0.110 20 5 EBBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000444692919 380348015 /nfs/dbraw/zinc/34/80/15/380348015.db2.gz FXRXXFQEMHDERK-RYUDHWBXSA-N 1 0 325.321 -0.031 20 5 EBBDRO NS(=O)(=O)c1ccc([N+](=O)[O-])cc1N1CCC([NH2+]CCO)CC1 ZINC000357484658 380928813 /nfs/dbraw/zinc/92/88/13/380928813.db2.gz RLMGTHZVTCMXIK-UHFFFAOYSA-N 1 0 344.393 -0.207 20 5 EBBDRO CS(=O)(=O)c1cc(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)cc([N+](=O)[O-])c1 ZINC000368166653 381005381 /nfs/dbraw/zinc/00/53/81/381005381.db2.gz PWJILHPDSLSJMW-GDNZZTSVSA-N 1 0 325.346 -0.054 20 5 EBBDRO [NH3+][C@H]1CCN(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000580834260 381037859 /nfs/dbraw/zinc/03/78/59/381037859.db2.gz YVKGZEHPXUSKGR-VIFPVBQESA-N 1 0 328.350 -0.567 20 5 EBBDRO NC(=O)[C@@H]1CC[C@@H](C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])O1 ZINC000580828942 381038311 /nfs/dbraw/zinc/03/83/11/381038311.db2.gz RYVSWCAOYWNZBR-SUNKGSAMSA-N 1 0 339.348 -0.043 20 5 EBBDRO O=C(NCCn1cc([N+](=O)[O-])cn1)NC[C@H]1CCCC[N@H+]1CCO ZINC000458549449 381246456 /nfs/dbraw/zinc/24/64/56/381246456.db2.gz CRJVJTWJWAOAJQ-GFCCVEGCSA-N 1 0 340.384 -0.063 20 5 EBBDRO [NH3+][C@@H]1C[C@H]2CN(c3nc4ccc([N+](=O)[O-])cc4c(=O)[nH]3)CCN2C1=O ZINC000583575486 381515185 /nfs/dbraw/zinc/51/51/85/381515185.db2.gz HOBWTVFIOAGNDD-GXSJLCMTSA-N 1 0 344.331 -0.008 20 5 EBBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CCN(C(=O)C[NH+](C)C)CC2)n1 ZINC000191769671 381564442 /nfs/dbraw/zinc/56/44/42/381564442.db2.gz ICFGYRJGDYMIPN-UHFFFAOYSA-N 1 0 338.368 -0.343 20 5 EBBDRO C[NH+](C)C[C@@](C)(O)CNc1ccc([N+](=O)[O-])cc1S(N)(=O)=O ZINC000269891475 381605683 /nfs/dbraw/zinc/60/56/83/381605683.db2.gz RHLAGCLXKVCLAJ-LBPRGKRZSA-N 1 0 332.382 -0.033 20 5 EBBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)NCCCC[NH+]1CCOCC1 ZINC000299478294 155157054 /nfs/dbraw/zinc/15/70/54/155157054.db2.gz DSFHHLDPOQXOOC-UHFFFAOYSA-N 1 0 338.364 -0.015 20 5 EBBDRO C[NH+](C)CC(=O)N1CCN(c2ccc3ncc([N+](=O)[O-])n3n2)CC1 ZINC000301838416 155170136 /nfs/dbraw/zinc/17/01/36/155170136.db2.gz NHHXQOKELGFKEP-UHFFFAOYSA-N 1 0 333.352 -0.152 20 5 EBBDRO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000237888195 154175143 /nfs/dbraw/zinc/17/51/43/154175143.db2.gz SHCLMIPXLWSYDN-LLVKDONJSA-N 1 0 338.368 -0.505 20 5 EBBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000262348814 154226832 /nfs/dbraw/zinc/22/68/32/154226832.db2.gz VCMJSHFISXCCHN-JTQLQIEISA-N 1 0 331.350 -0.130 20 5 EBBDRO C[C@@H](C[NH3+])C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000262555931 154237089 /nfs/dbraw/zinc/23/70/89/154237089.db2.gz PNZSFGZIYZHFCW-VIFPVBQESA-N 1 0 330.366 -0.416 20 5 EBBDRO CC[NH2+]CCNC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000262603563 154239277 /nfs/dbraw/zinc/23/92/77/154239277.db2.gz YNRPVTGGIOMHRJ-UHFFFAOYSA-N 1 0 344.393 -0.059 20 5 EBBDRO C[NH2+]C[C@@H](C)C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000262617315 154239413 /nfs/dbraw/zinc/23/94/13/154239413.db2.gz DVOREMYNBOODRS-SNVBAGLBSA-N 1 0 344.393 -0.155 20 5 EBBDRO C[C@@H](CC(N)=O)[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000267284640 154369594 /nfs/dbraw/zinc/36/95/94/154369594.db2.gz WFGNXGOKWMGNFJ-VIFPVBQESA-N 1 0 330.366 -0.273 20 5 EBBDRO CCn1cc(S(=O)(=O)NC[C@]2(O)CC[N@H+](C)C2)c([N+](=O)[O-])n1 ZINC000358215177 157228995 /nfs/dbraw/zinc/22/89/95/157228995.db2.gz RKXXBLKVLXEQDM-LLVKDONJSA-N 1 0 333.370 -0.844 20 5 EBBDRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000594374035 420646898 /nfs/dbraw/zinc/64/68/98/420646898.db2.gz LRIZUSGHXQORNS-SECBINFHSA-N 1 0 336.352 -0.236 20 5 EBBDRO C[C@H](C[NH3+])CNC(=O)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000419960137 420908007 /nfs/dbraw/zinc/90/80/07/420908007.db2.gz SCBFNNSREVJCPR-GFCCVEGCSA-N 1 0 349.391 -0.046 20 5 EBBDRO CC[NH2+]CCNC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000422778544 420921843 /nfs/dbraw/zinc/92/18/43/420921843.db2.gz DTMHSLLIWRJCFU-UHFFFAOYSA-N 1 0 330.366 -0.401 20 5 EBBDRO C[NH2+]CCN(C)C(=O)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000423160583 420923292 /nfs/dbraw/zinc/92/32/92/420923292.db2.gz ZTNICWVZIYUNRM-UHFFFAOYSA-N 1 0 349.391 -0.079 20 5 EBBDRO [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)CCO1 ZINC000423300708 420923504 /nfs/dbraw/zinc/92/35/04/420923504.db2.gz DZWBCFIMJGBFDU-CQSZACIVSA-N 1 0 348.359 -0.334 20 5 EBBDRO O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N1CC[NH2+]CC1 ZINC000353087777 420944419 /nfs/dbraw/zinc/94/44/19/420944419.db2.gz NQUBHBXZWYNZLU-UHFFFAOYSA-N 1 0 342.377 -0.305 20 5 EBBDRO CNc1nccc(C(=O)NC[C@](C)(O)CC[NH+](C)C)c1[N+](=O)[O-] ZINC000577231499 421220982 /nfs/dbraw/zinc/22/09/82/421220982.db2.gz LZLIWQJAJGNMCV-CQSZACIVSA-N 1 0 325.369 0.464 20 5 EBBDRO CNc1nccc(C(=O)N[C@@H](C)C(=O)NCC[NH+](C)C)c1[N+](=O)[O-] ZINC000569707712 421221044 /nfs/dbraw/zinc/22/10/44/421221044.db2.gz JPOXMFVXSAUABM-VIFPVBQESA-N 1 0 338.368 -0.172 20 5 EBBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000321453821 264629958 /nfs/dbraw/zinc/62/99/58/264629958.db2.gz QOIRULGPFPJNFI-LLVKDONJSA-N 1 0 344.393 -0.133 20 5 EBBDRO CNS(=O)(=O)c1ccc(NC[C@H]2C[NH2+]CCN2C)c([N+](=O)[O-])c1 ZINC000394723295 264687762 /nfs/dbraw/zinc/68/77/62/264687762.db2.gz GPCCLMIRNPWHOH-SNVBAGLBSA-N 1 0 343.409 -0.182 20 5 EBBDRO C[C@@H]1CN(C(=O)NCCn2cc([N+](=O)[O-])cn2)[C@@H](C)C[N@@H+]1CCO ZINC000419500114 264871450 /nfs/dbraw/zinc/87/14/50/264871450.db2.gz WTQJZRXNEUMSBJ-NEPJUHHUSA-N 1 0 340.384 -0.112 20 5 EBBDRO C[NH2+][C@@H](C)CNC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000423630778 265022096 /nfs/dbraw/zinc/02/20/96/265022096.db2.gz LPOVMYOQEVJHEQ-VIFPVBQESA-N 1 0 330.366 -0.403 20 5 EBBDRO Cn1cnc([N+](=O)[O-])c1CN1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430613369 265150268 /nfs/dbraw/zinc/15/02/68/265150268.db2.gz WBEUMNQRLLAHDA-GFCCVEGCSA-N 1 0 336.396 -0.028 20 5 EBBDRO C[C@H](C[NH3+])CNC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000441610417 265308959 /nfs/dbraw/zinc/30/89/59/265308959.db2.gz LGCWKRRIHXENBR-SNVBAGLBSA-N 1 0 344.393 -0.074 20 5 EBBDRO C[C@@H](C[NH3+])CNC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000441618640 265308975 /nfs/dbraw/zinc/30/89/75/265308975.db2.gz HJDYGPBECJKRRZ-JTQLQIEISA-N 1 0 344.393 -0.026 20 5 EBBDRO CCOC(=O)N1CC[C@@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000496253011 272876477 /nfs/dbraw/zinc/87/64/77/272876477.db2.gz IGLPDUBQQNUVGI-ZYHUDNBSSA-N 1 0 327.341 -0.027 20 5 EBBDRO O=C(C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)N1CC[NH2+]CC1 ZINC000817916969 583730854 /nfs/dbraw/zinc/73/08/54/583730854.db2.gz BWKNAHKUUXOLAG-UHFFFAOYSA-N 1 0 347.375 -0.325 20 5 EBBDRO COC(=O)N1CCC[C@@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000819003306 583753945 /nfs/dbraw/zinc/75/39/45/583753945.db2.gz OFSRTHPXAFCFOM-ZYHUDNBSSA-N 1 0 327.341 -0.027 20 5 EBBDRO C[C@H](C[NH3+])NC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000842252880 584062440 /nfs/dbraw/zinc/06/24/40/584062440.db2.gz GHIIMWMOKOJYOU-LLVKDONJSA-N 1 0 335.364 -0.293 20 5 EBBDRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)Cn2ncc([N+](=O)[O-])n2)C1 ZINC000863374440 584369539 /nfs/dbraw/zinc/36/95/39/584369539.db2.gz PTGIUALLPRMKMN-NSHDSACASA-N 1 0 326.357 -0.341 20 5 EBBDRO O=C(N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000882637907 584592676 /nfs/dbraw/zinc/59/26/76/584592676.db2.gz ZRNXRSPODMWWMB-MGPQQGTHSA-N 1 0 326.397 -0.436 20 5 EBBDRO Cn1cc(N2CC[NH+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)cn1 ZINC000074798734 584667206 /nfs/dbraw/zinc/66/72/06/584667206.db2.gz XRJPPSVSKNTTKH-CQSZACIVSA-N 1 0 335.368 -0.292 20 5 EBBDRO Cc1nnc(CC(=O)N[C@H]2C[C@@H]([NH2+]Cc3c([N+](=O)[O-])ncn3C)C2)o1 ZINC001022043847 729354957 /nfs/dbraw/zinc/35/49/57/729354957.db2.gz MLSMDZBRRXZBPL-AOOOYVTPSA-N 1 0 349.351 -0.001 20 5 EBBDRO O=C(N[C@@H]1[C@H]2C[N@H+](CCCN3CCCC3=O)C[C@H]21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025775329 730086183 /nfs/dbraw/zinc/08/61/83/730086183.db2.gz PTKXXLWWTSELDS-VVSAWPALSA-N 1 0 336.392 -0.290 20 5 EBBDRO O=C(C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])N1CCCCC1 ZINC001025775266 730086324 /nfs/dbraw/zinc/08/63/24/730086324.db2.gz JOOAOOWFTAPCPV-VVSAWPALSA-N 1 0 336.392 -0.290 20 5 EBBDRO CC[NH+](CC)CC(=O)N1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@H]2C1 ZINC001055331506 736333399 /nfs/dbraw/zinc/33/33/99/736333399.db2.gz KLBYTRIROCZBNE-XJFOESAGSA-N 1 0 338.408 -0.090 20 5 EBBDRO O=C(NC1CC[NH+](CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)c1cc[nH]c1 ZINC001055574884 736389605 /nfs/dbraw/zinc/38/96/05/736389605.db2.gz BUJHBQBTPDRRSO-ZIAGYGMSSA-N 1 0 349.391 -0.010 20 5 EBBDRO C[NH+](C)CCOCC(=O)NCC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCC1 ZINC001063718605 739185586 /nfs/dbraw/zinc/18/55/86/739185586.db2.gz LFBWRZVUORKOTN-VXGBXAGGSA-N 1 0 342.396 -0.615 20 5 EBBDRO C[NH+](C)CCC(=O)N1CCC(O)(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001074713472 742084295 /nfs/dbraw/zinc/08/42/95/742084295.db2.gz WWXINUVQYTXVJV-VXGBXAGGSA-N 1 0 342.396 -0.927 20 5 EBBDRO O=C(N[C@H]1C[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000980059754 805713633 /nfs/dbraw/zinc/71/36/33/805713633.db2.gz UCPWWJRWUWVSMN-FDYHWXHSSA-N 1 0 336.392 -0.242 20 5 EBBDRO CC(C)[N@@H+]1CCC[C@@H](OCC(=O)N2CC([N+](=O)[O-])([N+](=O)[O-])C2)C1 ZINC001224798773 811776370 /nfs/dbraw/zinc/77/63/70/811776370.db2.gz CJZAUMXVRGMWFN-LLVKDONJSA-N 1 0 330.341 -0.032 20 5 EBBDRO CN(CCCN1CC[NH+](C)CC1)C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC001251771584 812632903 /nfs/dbraw/zinc/63/29/03/812632903.db2.gz JMASSNBHOGOHTI-UHFFFAOYSA-N 1 0 325.373 -0.718 20 5 EBBDRO O=C(C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)Nc1ccon1 ZINC001264419850 813174040 /nfs/dbraw/zinc/17/40/40/813174040.db2.gz HAUCEBRNKCZQHK-GWOFURMSSA-N 1 0 337.336 -0.237 20 5 EBBDRO CCCNC(=O)C[NH2+]CC1(O)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001281613716 818234573 /nfs/dbraw/zinc/23/45/73/818234573.db2.gz RSABUISHXCGGBY-VXGBXAGGSA-N 1 0 342.396 -0.879 20 5 EBBDRO O=C(Cn1cnc([N+](=O)[O-])n1)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001318447423 822318272 /nfs/dbraw/zinc/31/82/72/822318272.db2.gz TWSRVKUELLWBEF-LBPRGKRZSA-N 1 0 338.368 -0.054 20 5 EBBDRO O=C(NCC[NH2+]Cc1cccc([N+](=O)[O-])c1)C1CS(=O)(=O)C1 ZINC001128108066 828416162 /nfs/dbraw/zinc/41/61/62/828416162.db2.gz IZWHMDVYJZULJR-UHFFFAOYSA-N 1 0 327.362 -0.155 20 5 EBBDRO CCS(=O)(=O)NCC(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001128594750 828480945 /nfs/dbraw/zinc/48/09/45/828480945.db2.gz MCOOLOYJDFVFJU-UHFFFAOYSA-N 1 0 344.393 -0.260 20 5 EBBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]Cc2ccc(-n3cncn3)nc2)c1 ZINC001118088714 826848275 /nfs/dbraw/zinc/84/82/75/826848275.db2.gz OPVGLWMIELLSPF-ZDUSSCGKSA-N 1 0 344.335 -0.082 20 5 EBBDRO C[NH2+][C@@H](C)CCNC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC001118197907 826875157 /nfs/dbraw/zinc/87/51/57/826875157.db2.gz XQOQQRMNTGYUSC-JTQLQIEISA-N 1 0 344.393 -0.013 20 5 EBBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CC(C[NH+]2CCN(C)CC2)C1 ZINC001119896925 827158773 /nfs/dbraw/zinc/15/87/73/827158773.db2.gz UMXZPEBVSQEEHN-UHFFFAOYSA-N 1 0 336.396 -0.194 20 5 EBBDRO O=C(NCC[NH2+]CCCNC(=O)C(F)(F)F)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126936662 828234133 /nfs/dbraw/zinc/23/41/33/828234133.db2.gz PQMWEYNBGRTIQM-HTQZYQBOSA-N 1 0 326.275 -0.574 20 5 EBBDRO CN(C(=O)C[NH2+]CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1nccs1 ZINC001126939442 828235356 /nfs/dbraw/zinc/23/53/56/828235356.db2.gz YNLCJJVWOAQTTH-RKDXNWHRSA-N 1 0 327.366 -0.523 20 5 EBBDRO NC(=O)Cn1cc(C(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)nn1 ZINC001152409318 831159548 /nfs/dbraw/zinc/15/95/48/831159548.db2.gz FLXAZYIUCSXLDN-UHFFFAOYSA-N 1 0 347.335 -0.809 20 5 EBBDRO CCOC(=O)c1nc(Cl)nc(-n2nnc(CC[NH3+])n2)c1[N+](=O)[O-] ZINC001156985888 831522591 /nfs/dbraw/zinc/52/25/91/831522591.db2.gz PDLXQXQTCHOIOH-UHFFFAOYSA-N 1 0 342.703 -0.308 20 5 EBBDRO CN(C)S(=O)(=O)CCC[NH2+]CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157775076 831592285 /nfs/dbraw/zinc/59/22/85/831592285.db2.gz KTRCVFQDWIRIEL-GHMZBOCLSA-N 1 0 336.414 -0.971 20 5 EBBDRO CN1CCN(C2CN(c3ncc([N+](=O)[O-])c(C4C[NH2+]C4)n3)C2)CC1=O ZINC001165113177 832205264 /nfs/dbraw/zinc/20/52/64/832205264.db2.gz SQXODBNDQRFDKU-UHFFFAOYSA-N 1 0 347.379 -0.966 20 5 EBBDRO CC1(C)C(=O)NCCN1c1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001166605431 832274158 /nfs/dbraw/zinc/27/41/58/832274158.db2.gz HOIQZGNCONLIRU-UHFFFAOYSA-N 1 0 335.368 -0.491 20 5 EBBDRO CS(=O)(=O)N1CCN(CC[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168976566 832442348 /nfs/dbraw/zinc/44/23/48/832442348.db2.gz DQTJELSZUYZDSP-OLZOCXBDSA-N 1 0 334.442 -0.401 20 5 EBBDRO CN(C)C(=O)O[C@@H]1CC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC001170478793 832507637 /nfs/dbraw/zinc/50/76/37/832507637.db2.gz GAUWNDFYUYQBJI-VXGBXAGGSA-N 1 0 327.341 -0.075 20 5 EBBDRO CS(=O)(=O)c1nc(Cl)c([N+](=O)[O-])c(N[C@H](N)CCC[NH3+])n1 ZINC001170899259 832530681 /nfs/dbraw/zinc/53/06/81/832530681.db2.gz TUIZXFZCROZSQA-YFKPBYRVSA-N 1 0 338.777 -0.123 20 5 EBBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]CC(=O)NCC(N)=O)c1F ZINC001173187270 832584187 /nfs/dbraw/zinc/58/41/87/832584187.db2.gz XZQCAGAZOKSIOK-MRVPVSSYSA-N 1 0 342.327 -0.135 20 5 EBBDRO O=C(CN1C(=O)CNC1=O)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001175567044 832631112 /nfs/dbraw/zinc/63/11/12/832631112.db2.gz GZIOGFCURIKGLT-UHFFFAOYSA-N 1 0 349.347 -0.258 20 5 EBBDRO CC(=O)NCC(=O)N1CCC([NH2+]Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC001199130977 835770585 /nfs/dbraw/zinc/77/05/85/835770585.db2.gz VQKVOOXWSIEEBU-UHFFFAOYSA-N 1 0 338.368 -0.455 20 5 EBBDRO COC(=O)N1CCC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC001322157741 839145243 /nfs/dbraw/zinc/14/52/43/839145243.db2.gz JNTURBXOQABCRY-LBPRGKRZSA-N 1 0 327.341 -0.074 20 5 EBBDRO CC(C)NC(=O)C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCOCC1 ZINC001325001806 839750641 /nfs/dbraw/zinc/75/06/41/839750641.db2.gz GJYIHRVCYIOCFG-VXGBXAGGSA-N 1 0 342.396 -0.569 20 5 EBBDRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC001326705620 840181483 /nfs/dbraw/zinc/18/14/83/840181483.db2.gz SUFAXUQDGIEIHJ-LLVKDONJSA-N 1 0 336.352 -0.128 20 5 EBBDRO Cn1cc(C[C@H](CO)C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cn1 ZINC001328412545 840672026 /nfs/dbraw/zinc/67/20/26/840672026.db2.gz IMFAJFJRMQEIQY-JSGCOSHPSA-N 1 0 338.368 -0.674 20 5 EBBDRO [NH3+]C1(CO)CCN(c2ncnc(N3CCOCC3)c2[N+](=O)[O-])CC1 ZINC001328556231 840705670 /nfs/dbraw/zinc/70/56/70/840705670.db2.gz HVOYPDKMCLDCCH-UHFFFAOYSA-N 1 0 338.368 -0.489 20 5 EBBDRO O=C(NCCn1cc([N+](=O)[O-])cn1)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC001331586503 841432818 /nfs/dbraw/zinc/43/28/18/841432818.db2.gz YRJDPIQEZMAIMZ-LLVKDONJSA-N 1 0 336.352 -0.692 20 5 EBBDRO O=C1NC2(CO1)CC[NH+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)CC2 ZINC001342230284 843151046 /nfs/dbraw/zinc/15/10/46/843151046.db2.gz ZRPOOAQSNAORLP-LLVKDONJSA-N 1 0 325.325 -0.273 20 5 EBBDRO C[N@H+](CCOCCO)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001692011488 1125839095 /nfs/dbraw/zinc/83/90/95/1125839095.db2.gz UEMCDCAVKHXHFG-ZIAGYGMSSA-N 1 0 329.397 -0.169 20 5 EBBDRO COC(=O)CC1([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCOCC1 ZINC000490000385 376231563 /nfs/dbraw/zinc/23/15/63/376231563.db2.gz PEBVWLSCXJHTRN-LBPRGKRZSA-N 1 0 342.352 -0.146 20 5 EBBDRO O=C(Cn1cnc([N+](=O)[O-])n1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000337703366 376363266 /nfs/dbraw/zinc/36/32/66/376363266.db2.gz WCXCGXPBQIMOLH-GFCCVEGCSA-N 1 0 338.368 -0.243 20 5 EBBDRO Cc1ncc([N+](=O)[O-])n1CCN1CCN(CC(=O)NC2CC2)CC1 ZINC000611547636 376721497 /nfs/dbraw/zinc/72/14/97/376721497.db2.gz RFFAKJRXYQFNCL-UHFFFAOYSA-N 1 0 336.396 -0.004 20 5 EBBDRO NS(=O)(=O)c1ccc(N2CCC([NH2+]CCO)CC2)cc1[N+](=O)[O-] ZINC000589112518 377399914 /nfs/dbraw/zinc/39/99/14/377399914.db2.gz LUWKXDMMSFAIJP-UHFFFAOYSA-N 1 0 344.393 -0.207 20 5 EBBDRO C[C@H]([NH3+])CNC(=O)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000591418900 377714767 /nfs/dbraw/zinc/71/47/67/377714767.db2.gz OEQVJDWZQAZACP-NSHDSACASA-N 1 0 335.364 -0.293 20 5 EBBDRO Cc1c(C(=O)N(C)CCC[NH3+])cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000592471485 377837199 /nfs/dbraw/zinc/83/71/99/377837199.db2.gz LKXACYGLWJWTAY-UHFFFAOYSA-N 1 0 330.366 -0.029 20 5 EBBDRO COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000592557296 377844211 /nfs/dbraw/zinc/84/42/11/377844211.db2.gz YUPOKVLXDCGTRP-NSHDSACASA-N 1 0 325.325 -0.455 20 5 EBBDRO O=C(C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)N1CC[NH2+]CC1 ZINC000567041334 377925993 /nfs/dbraw/zinc/92/59/93/377925993.db2.gz VATZJUDPPQBFOQ-UHFFFAOYSA-N 1 0 348.363 -0.930 20 5 EBBDRO [NH3+]CCN(CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C[C@@H](O)CO ZINC000595901815 378034788 /nfs/dbraw/zinc/03/47/88/378034788.db2.gz JTNITJQNWRUTBE-CYBMUJFWSA-N 1 0 338.364 -0.902 20 5 EBBDRO [NH3+]CCn1cc(C(=O)N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)nn1 ZINC000595924754 378036243 /nfs/dbraw/zinc/03/62/43/378036243.db2.gz NNVAGSMXPJOYQV-JTQLQIEISA-N 1 0 346.351 -0.133 20 5 EBBDRO O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)N1CCOC2(C[NH2+]C2)C1 ZINC000596098613 378052513 /nfs/dbraw/zinc/05/25/13/378052513.db2.gz SDWZSDXCHLFYPY-UHFFFAOYSA-N 1 0 348.359 -0.085 20 5 EBBDRO CS(=O)(=O)NCC[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000567492698 378109194 /nfs/dbraw/zinc/10/91/94/378109194.db2.gz NGKPXORINQRGCW-SNVBAGLBSA-N 1 0 333.366 -0.527 20 5 EBBDRO CCS(=O)(=O)N1CC(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000567710900 378185969 /nfs/dbraw/zinc/18/59/69/378185969.db2.gz VFNYSWGECIDMKO-LBPRGKRZSA-N 1 0 347.397 -0.977 20 5 EBBDRO CCn1cc(S(=O)(=O)NCC2([NH3+])CCOCC2)c([N+](=O)[O-])n1 ZINC000599104307 378196852 /nfs/dbraw/zinc/19/68/52/378196852.db2.gz VNEIRMIFHCCAJJ-UHFFFAOYSA-N 1 0 333.370 -0.403 20 5 EBBDRO NS(=O)(=O)c1ccc(NCC[N@@H+]2CC[C@@H](O)C2)c([N+](=O)[O-])c1 ZINC000599175662 378199879 /nfs/dbraw/zinc/19/98/79/378199879.db2.gz GWDAWYWJZFYAIJ-SECBINFHSA-N 1 0 330.366 -0.279 20 5 EBBDRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)c1c([N+](=O)[O-])cnn1C ZINC000598188623 378160085 /nfs/dbraw/zinc/16/00/85/378160085.db2.gz VSUPRDCVDUXBRZ-UHFFFAOYSA-N 1 0 326.357 -0.580 20 5 EBBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH+]2C[C@@H](CO)[C@H](CO)C2)c1 ZINC000599531376 378255726 /nfs/dbraw/zinc/25/57/26/378255726.db2.gz VDMAHOPLAGSWET-SGMGOOAPSA-N 1 0 326.349 -0.133 20 5 EBBDRO O=C(CNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N1CC[NH2+]CC1 ZINC000315058005 378471065 /nfs/dbraw/zinc/47/10/65/378471065.db2.gz GRIAEWDNFOWRAV-UHFFFAOYSA-N 1 0 328.350 -0.695 20 5 EBBDRO Cc1c(C(=O)NC[C@H]2CC[NH2+]C2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000342747077 378628308 /nfs/dbraw/zinc/62/83/08/378628308.db2.gz WCOIXZHCQQPMDH-VIFPVBQESA-N 1 0 342.377 -0.110 20 5 EBBDRO COc1cc(S(=O)(=O)N2CCO[C@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000370427968 379388536 /nfs/dbraw/zinc/38/85/36/379388536.db2.gz KTQWHAZIRZCQPZ-SECBINFHSA-N 1 0 331.350 -0.048 20 5 EBBDRO O=C(N[C@@H]1CC[NH2+]C1)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000419891894 379348156 /nfs/dbraw/zinc/34/81/56/379348156.db2.gz UKBNKIDMNORFGG-GFCCVEGCSA-N 1 0 347.375 -0.279 20 5 EBBDRO C[NH+](C)CC(=O)N1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000068423581 379428278 /nfs/dbraw/zinc/42/82/78/379428278.db2.gz MIXPFQIHJDBPJS-UHFFFAOYSA-N 1 0 338.368 -0.586 20 5 EBBDRO O=C(CNC(=O)[C@H]1CCC[NH2+]1)NCCNc1ccccc1[N+](=O)[O-] ZINC000351524119 379620979 /nfs/dbraw/zinc/62/09/79/379620979.db2.gz QAKVFEVLAHAFIT-GFCCVEGCSA-N 1 0 335.364 -0.009 20 5 EBBDRO CN(CC(=O)N1CC[NH2+]CC1)C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000353042139 379689253 /nfs/dbraw/zinc/68/92/53/379689253.db2.gz DKYYZMYKICHPBI-UHFFFAOYSA-N 1 0 336.348 -0.136 20 5 EBBDRO Nc1ccc(N2CCN(C(=O)N3CC[NH2+]CC3)CC2)nc1[N+](=O)[O-] ZINC000600676667 379657883 /nfs/dbraw/zinc/65/78/83/379657883.db2.gz ZJMQDHSLEODTQC-UHFFFAOYSA-N 1 0 335.368 -0.281 20 5 EBBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]CCN2CC[C@@H](O)C2)c1 ZINC000600761216 379659743 /nfs/dbraw/zinc/65/97/43/379659743.db2.gz WUOIFNNBCNNJNR-KGLIPLIRSA-N 1 0 325.365 -0.009 20 5 EBBDRO C[C@H](O)C[N@@H+]1CCN(C(=O)NCCn2cc([N+](=O)[O-])cn2)[C@H](C)C1 ZINC000354551231 379708516 /nfs/dbraw/zinc/70/85/16/379708516.db2.gz KLQQSCIJTHQCRH-NEPJUHHUSA-N 1 0 340.384 -0.112 20 5 EBBDRO C[NH2+][C@H]1CCN(C(=O)c2cc(S(N)(=O)=O)cc([N+](=O)[O-])c2C)C1 ZINC000269109879 380219767 /nfs/dbraw/zinc/21/97/67/380219767.db2.gz DRBXNDDWAIDGBO-VIFPVBQESA-N 1 0 342.377 -0.015 20 5 EBBDRO O=C(NCCc1ccccc1[N+](=O)[O-])NCC(=O)N1CC[NH2+]CC1 ZINC000583801824 381142018 /nfs/dbraw/zinc/14/20/18/381142018.db2.gz RQXDTMMFAAGFCR-UHFFFAOYSA-N 1 0 335.364 -0.132 20 5 EBBDRO CCNC(=O)N1CC[C@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000575174896 381518163 /nfs/dbraw/zinc/51/81/63/381518163.db2.gz YLOJTTWHDJAKIT-JQWIXIFHSA-N 1 0 326.357 -0.454 20 5 EBBDRO CN(CC(=O)N1CC[NH2+]CC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000261617670 154194429 /nfs/dbraw/zinc/19/44/29/154194429.db2.gz AKLSAVCVSZNUIO-UHFFFAOYSA-N 1 0 342.377 -0.353 20 5 EBBDRO C[C@@H]([NH3+])C(=O)NCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000261743709 154200423 /nfs/dbraw/zinc/20/04/23/154200423.db2.gz GSMBKDGUGOLILT-MRVPVSSYSA-N 1 0 330.366 -0.126 20 5 EBBDRO C[C@@H]([NH3+])CC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000261925068 154206315 /nfs/dbraw/zinc/20/63/15/154206315.db2.gz YCYBZXSXWUDWHQ-SECBINFHSA-N 1 0 330.366 -0.273 20 5 EBBDRO C[C@H]([NH3+])C(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000262222785 154218823 /nfs/dbraw/zinc/21/88/23/154218823.db2.gz MZVGYVFVSLLFGF-JTQLQIEISA-N 1 0 342.377 -0.225 20 5 EBBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000262548733 154237026 /nfs/dbraw/zinc/23/70/26/154237026.db2.gz SBOJZWULYJDOLH-JTQLQIEISA-N 1 0 331.350 -0.048 20 5 EBBDRO O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1CC[NH2+]C1 ZINC000262638052 154240746 /nfs/dbraw/zinc/24/07/46/154240746.db2.gz XXISGQDCSJSEHQ-SNVBAGLBSA-N 1 0 342.377 -0.401 20 5 EBBDRO C[NH2+]C[C@@H](C)C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000262633962 154241311 /nfs/dbraw/zinc/24/13/11/154241311.db2.gz VMNSJCFIZYYVEX-SNVBAGLBSA-N 1 0 344.393 -0.155 20 5 EBBDRO CNC(=O)C[C@@H](C)[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000271504441 154529291 /nfs/dbraw/zinc/52/92/91/154529291.db2.gz REESGCXTYAZYRF-SNVBAGLBSA-N 1 0 344.393 -0.013 20 5 EBBDRO [NH3+]C[C@@H]1CN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)CCO1 ZINC000358513535 157252932 /nfs/dbraw/zinc/25/29/32/157252932.db2.gz JTZSHRZFSOLWDU-LLVKDONJSA-N 1 0 332.320 -0.025 20 5 EBBDRO CN1CCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000319294504 418999839 /nfs/dbraw/zinc/99/98/39/418999839.db2.gz HWVLVBIORFWNHM-VIFPVBQESA-N 1 0 332.357 -0.003 20 5 EBBDRO NC(=O)[C@@]1([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCOC1 ZINC000514611847 419061379 /nfs/dbraw/zinc/06/13/79/419061379.db2.gz MAHASPWFRIARAQ-QMTHXVAHSA-N 1 0 325.321 -0.432 20 5 EBBDRO C[C@H]1C[NH2+]CCN1C(=O)C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000515144721 419080104 /nfs/dbraw/zinc/08/01/04/419080104.db2.gz BNHUCNRFGJENHD-NSHDSACASA-N 1 0 336.348 -0.090 20 5 EBBDRO C[NH+](C)[C@H]1CN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H]1O ZINC000518061594 419273948 /nfs/dbraw/zinc/27/39/48/419273948.db2.gz ASBGVHNTORPHSA-QEJZJMRPSA-N 1 0 325.365 -0.059 20 5 EBBDRO COC(=O)[C@H]1CN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC[N@H+](C)C1 ZINC000413928741 419320583 /nfs/dbraw/zinc/32/05/83/419320583.db2.gz ZCPVZUMEUHSALP-SNVBAGLBSA-N 1 0 325.325 -0.646 20 5 EBBDRO [NH3+][C@H]1CCN(C(=O)C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000422986049 420921261 /nfs/dbraw/zinc/92/12/61/420921261.db2.gz BEHMZRBMJJAQLC-LBPRGKRZSA-N 1 0 347.375 -0.197 20 5 EBBDRO C[NH2+]C[C@H](C)CNC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000422826446 420921979 /nfs/dbraw/zinc/92/19/79/420921979.db2.gz LNLANCAZHXFWRK-JTQLQIEISA-N 1 0 344.393 -0.155 20 5 EBBDRO CNc1nccc(C(=O)N2CC[C@H]([N@@H+]3CC[C@H](O)C3)C2)c1[N+](=O)[O-] ZINC000599938707 421220576 /nfs/dbraw/zinc/22/05/76/421220576.db2.gz FDFGTZYZVDDVFH-QWRGUYRKSA-N 1 0 335.364 0.313 20 5 EBBDRO Cc1cc(C(=O)NCC(=O)NC[C@@H]2C[NH2+]CCN2C)ccc1[N+](=O)[O-] ZINC000423711774 265036187 /nfs/dbraw/zinc/03/61/87/265036187.db2.gz CKAPUXMMDYOGAN-ZDUSSCGKSA-N 1 0 349.391 -0.347 20 5 EBBDRO C[NH+]1CCC(O)(CNC(=O)NCCn2cc([N+](=O)[O-])cn2)CC1 ZINC000426973574 265101976 /nfs/dbraw/zinc/10/19/76/265101976.db2.gz KVEUMMWJLUFRRI-UHFFFAOYSA-N 1 0 326.357 -0.453 20 5 EBBDRO O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N[C@H]1CC[NH2+]C1 ZINC000428649246 265128003 /nfs/dbraw/zinc/12/80/03/265128003.db2.gz KINZNLSXMDJFGH-JTQLQIEISA-N 1 0 342.377 -0.259 20 5 EBBDRO O=C(Cn1cnc([N+](=O)[O-])n1)N1CC[C@@H](OCC[NH+]2CCCC2)C1 ZINC000443865175 265356207 /nfs/dbraw/zinc/35/62/07/265356207.db2.gz APQGXBWCHHZOKR-GFCCVEGCSA-N 1 0 338.368 -0.100 20 5 EBBDRO CC(C)NS(=O)(=O)CC[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000514788877 272883963 /nfs/dbraw/zinc/88/39/63/272883963.db2.gz PMCXYIFCMPZULC-LLVKDONJSA-N 1 0 335.386 -0.930 20 5 EBBDRO O=C(NCC[N@H+]1CC[C@H](O)C1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000600810477 545714130 /nfs/dbraw/zinc/71/41/30/545714130.db2.gz ZPIADIMWBLBQKM-LBPRGKRZSA-N 1 0 346.347 -0.028 20 5 EBBDRO O=C(c1ccc(-n2cncn2)c([N+](=O)[O-])c1)N1CCOC2(C[NH2+]C2)C1 ZINC000596099281 545967295 /nfs/dbraw/zinc/96/72/95/545967295.db2.gz RAOYCCKHXNDGOG-UHFFFAOYSA-N 1 0 344.331 -0.010 20 5 EBBDRO COC(=O)C[C@]1([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCCOC1 ZINC000770711384 583340978 /nfs/dbraw/zinc/34/09/78/583340978.db2.gz VCAQMPZZTGXCPG-GXTWGEPZSA-N 1 0 342.352 -0.146 20 5 EBBDRO NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCC([NH2+]CCO)CC1 ZINC000811823962 583693686 /nfs/dbraw/zinc/69/36/86/583693686.db2.gz AJZLYMQSYKPMHO-UHFFFAOYSA-N 1 0 344.393 -0.207 20 5 EBBDRO O=C(NC1C[NH2+]C1)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000842234133 584061637 /nfs/dbraw/zinc/06/16/37/584061637.db2.gz BEMGLZPXZFJXRR-UHFFFAOYSA-N 1 0 333.348 -0.669 20 5 EBBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H]1C[NH2+]CCN1C ZINC000394070057 650008171 /nfs/dbraw/zinc/00/81/71/650008171.db2.gz SWWOSKAPNJAPPE-LLVKDONJSA-N 1 0 344.393 -0.215 20 5 EBBDRO CN1CC[NH2+]C[C@H]1C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000912364333 650203835 /nfs/dbraw/zinc/20/38/35/650203835.db2.gz HRYTUVUXVFLHKN-ZDUSSCGKSA-N 1 0 334.380 -0.458 20 5 EBBDRO CN1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@@H]1CO ZINC000931404356 651630782 /nfs/dbraw/zinc/63/07/82/651630782.db2.gz WXLUAKQUHBBALE-OLZOCXBDSA-N 1 0 325.365 -0.057 20 5 EBBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC2(C1)CCN(C(=O)C13CC[NH+](CC1)C3)C2 ZINC001019014954 728774153 /nfs/dbraw/zinc/77/41/53/728774153.db2.gz IHOPRLXUOLOYBN-CHWSQXEVSA-N 1 0 348.403 -0.192 20 5 EBBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC2(CN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001019209537 728827073 /nfs/dbraw/zinc/82/70/73/728827073.db2.gz CAZAWCBVTUYRPW-CHWSQXEVSA-N 1 0 348.403 -0.192 20 5 EBBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1C[C@H](NC(=O)Cn2cccn2)C1 ZINC001019987818 729054257 /nfs/dbraw/zinc/05/42/57/729054257.db2.gz JVMVQKZEHHKKGA-XYPYZODXSA-N 1 0 333.352 -0.038 20 5 EBBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2ncnn2CC(F)F)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001020139056 729081858 /nfs/dbraw/zinc/08/18/58/729081858.db2.gz ONITZDHHKZBWEU-ZYUZMQFOSA-N 1 0 344.322 -0.055 20 5 EBBDRO CCn1cc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3c([N+](=O)[O-])ncn3C)C2)nn1 ZINC001020839403 729246225 /nfs/dbraw/zinc/24/62/25/729246225.db2.gz XNJNRCDHYLUNHG-MGCOHNPYSA-N 1 0 348.367 -0.010 20 5 EBBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1C[C@@H](NC(=O)c2cnnn2C)C1 ZINC001022029544 729353100 /nfs/dbraw/zinc/35/31/00/729353100.db2.gz BBGUOXOXISNFAX-DTORHVGOSA-N 1 0 334.340 -0.493 20 5 EBBDRO Cc1nnc(CC(=O)N[C@H]2C[C@@H]([NH2+]Cc3c([N+](=O)[O-])ncn3C)C2)[nH]1 ZINC001022055446 729355492 /nfs/dbraw/zinc/35/54/92/729355492.db2.gz PMEBDRKEWVDZRQ-AOOOYVTPSA-N 1 0 348.367 -0.266 20 5 EBBDRO CSCC(=O)NC1CC[NH+](CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001055575069 736389358 /nfs/dbraw/zinc/38/93/58/736389358.db2.gz KOLMKNXAEKOCGO-VXGBXAGGSA-N 1 0 344.437 -0.289 20 5 EBBDRO C[NH+](C)C1(C(=O)NCCN(CCO)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCC1 ZINC001057545708 737324850 /nfs/dbraw/zinc/32/48/50/737324850.db2.gz LQWFVYSVRBPGBZ-VXGBXAGGSA-N 1 0 342.396 -0.927 20 5 EBBDRO C[N@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC(=O)NCC(F)(F)F ZINC001265845173 813383681 /nfs/dbraw/zinc/38/36/81/813383681.db2.gz FRYCXWABJGZKLG-RKDXNWHRSA-N 1 0 340.302 -0.232 20 5 EBBDRO CCN(CC[NH2+]Cc1c([N+](=O)[O-])ncn1C)C(=O)c1ncn(C)n1 ZINC001268449546 814245553 /nfs/dbraw/zinc/24/55/53/814245553.db2.gz VWZQPMLXDRDDLK-UHFFFAOYSA-N 1 0 336.356 -0.291 20 5 EBBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@@H]1C[C@@H](CNC(=O)c2cnn(C)n2)C1 ZINC001086504799 816356997 /nfs/dbraw/zinc/35/69/97/816356997.db2.gz PERWCCGQWGGPNR-MGCOHNPYSA-N 1 0 348.367 -0.245 20 5 EBBDRO CNS(=O)(=O)NC1CC[NH+](CCn2c(C)ncc2[N+](=O)[O-])CC1 ZINC001307742276 821772665 /nfs/dbraw/zinc/77/26/65/821772665.db2.gz UFYDWDDVDWWERO-UHFFFAOYSA-N 1 0 346.413 -0.382 20 5 EBBDRO CC(=O)N(C)CC(=O)N(C)CC[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC001317569261 822159706 /nfs/dbraw/zinc/15/97/06/822159706.db2.gz IOHZWVYFUPRPAE-UHFFFAOYSA-N 1 0 326.357 -0.645 20 5 EBBDRO O=C(CN1CCN(c2ccc([N+](=O)[O-])nc2)CC1)N1CC[NH2+]CC1 ZINC001118198097 826875342 /nfs/dbraw/zinc/87/53/42/826875342.db2.gz GOSQUMLRGYROLE-UHFFFAOYSA-N 1 0 334.380 -0.456 20 5 EBBDRO CC(C)N1C(=O)C[C@@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1=O ZINC001120469276 827229493 /nfs/dbraw/zinc/22/94/93/827229493.db2.gz RUHOJNCZIOOROX-WDEREUQCSA-N 1 0 325.325 -0.722 20 5 EBBDRO C[C@H](CNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)N1CC[NH+](C)CC1 ZINC001144219428 830160247 /nfs/dbraw/zinc/16/02/47/830160247.db2.gz GFANFQYWKPZMIU-GFCCVEGCSA-N 1 0 337.380 -0.491 20 5 EBBDRO O=C(NCC[N@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1)C1CC1 ZINC001147508274 830355015 /nfs/dbraw/zinc/35/50/15/830355015.db2.gz VSWQPJVBEWDTNE-CHWSQXEVSA-N 1 0 336.392 -0.288 20 5 EBBDRO Cc1nn(CC(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)c(=O)n1C ZINC001149571293 830698479 /nfs/dbraw/zinc/69/84/79/830698479.db2.gz XEZDYYOTIFAEBW-UHFFFAOYSA-N 1 0 348.363 -0.296 20 5 EBBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCCNC(=O)c1ccc(=O)[nH]n1 ZINC001154382253 831330204 /nfs/dbraw/zinc/33/02/04/831330204.db2.gz DWERWTPNPKPJNI-UHFFFAOYSA-N 1 0 335.324 -0.266 20 5 EBBDRO O=[N+]([O-])c1c(N[C@@H]2CCS(=O)(=O)C2)ncnc1N1CC[NH2+]CC1 ZINC001155051508 831382713 /nfs/dbraw/zinc/38/27/13/831382713.db2.gz YHIMHRQSNKOJEK-SECBINFHSA-N 1 0 342.381 -0.607 20 5 EBBDRO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N(C)S(=O)(=O)CC[NH3+])n1 ZINC001156240598 831463435 /nfs/dbraw/zinc/46/34/35/831463435.db2.gz SGMGQDCIGUTXAB-UHFFFAOYSA-N 1 0 332.342 -0.624 20 5 EBBDRO O=c1[nH][nH]cc1CCCNc1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001156278748 831466274 /nfs/dbraw/zinc/46/62/74/831466274.db2.gz QGNQKHBJXWFDPS-SNVBAGLBSA-N 1 0 348.367 -0.282 20 5 EBBDRO CCNC(=O)CC(=O)NCCC[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC001156857511 831507711 /nfs/dbraw/zinc/50/77/11/831507711.db2.gz RQQPWXUVJISNJP-UHFFFAOYSA-N 1 0 326.357 -0.550 20 5 EBBDRO CCOC(=O)[C@@H](Nc1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1)[C@@H](C)O ZINC001157276938 831548887 /nfs/dbraw/zinc/54/88/87/831548887.db2.gz XTSJUBXXTCGDLX-XCBNKYQSSA-N 1 0 325.325 -0.204 20 5 EBBDRO O=C(NCCC[NH2+]CCCNC(=O)C(F)(F)F)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157767513 831591276 /nfs/dbraw/zinc/59/12/76/831591276.db2.gz POBXDTXHMHPQMG-RKDXNWHRSA-N 1 0 340.302 -0.184 20 5 EBBDRO CN1C[C@@H](CNc2ncnc(N3CC[NH2+]CC3)c2[N+](=O)[O-])CC1=O ZINC001157902785 831605131 /nfs/dbraw/zinc/60/51/31/831605131.db2.gz QPDDVTHASFVPEI-SNVBAGLBSA-N 1 0 335.368 -0.315 20 5 EBBDRO COC(=O)c1ncc(=O)[nH]c1Nc1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1 ZINC001159422985 831750554 /nfs/dbraw/zinc/75/05/54/831750554.db2.gz GMTGGYKOBQCULA-UHFFFAOYSA-N 1 0 347.291 -0.315 20 5 EBBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCCNC(=O)c1cnc[nH]c1=O ZINC001160640247 831874164 /nfs/dbraw/zinc/87/41/64/831874164.db2.gz UMZDTCXPRBOXER-UHFFFAOYSA-N 1 0 335.324 -0.266 20 5 EBBDRO COC(=O)c1cc(C)nc(N(CC[NH3+])S(C)(=O)=O)c1[N+](=O)[O-] ZINC001162127085 832020113 /nfs/dbraw/zinc/02/01/13/832020113.db2.gz POUBRHUTWYBARA-UHFFFAOYSA-N 1 0 332.338 -0.190 20 5 EBBDRO CCOC(=O)c1c(C[NH3+])ncn1-c1ncc([N+](=O)[O-])cc1C(N)=O ZINC001162529447 832050769 /nfs/dbraw/zinc/05/07/69/832050769.db2.gz AFYJPTDUHRCMME-UHFFFAOYSA-N 1 0 334.292 -0.090 20 5 EBBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC001351546992 832249669 /nfs/dbraw/zinc/24/96/69/832249669.db2.gz WHCMOXVHLRPPLL-GFCCVEGCSA-N 1 0 336.348 -0.642 20 5 EBBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCCNC(=O)c1cc(C(N)=O)c[nH]1 ZINC001169305550 832457427 /nfs/dbraw/zinc/45/74/27/832457427.db2.gz BSMOXGNPJFIFLU-UHFFFAOYSA-N 1 0 349.351 -0.335 20 5 EBBDRO CC[N+](C)(C)Cc1ccccc1N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O ZINC001169975003 832485200 /nfs/dbraw/zinc/48/52/00/832485200.db2.gz DCEKUGPUVMXIQO-WRQOLXDDSA-N 1 0 341.428 -0.505 20 5 EBBDRO CCOC(=O)COc1ncc(N[C@@H]2C[NH2+]C[C@@H]2CO)cc1[N+](=O)[O-] ZINC001170782338 832525936 /nfs/dbraw/zinc/52/59/36/832525936.db2.gz UWOQPMQAPRJLPM-MWLCHTKSSA-N 1 0 340.336 -0.076 20 5 EBBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC(N2CC[NH+](C)CC2)C1 ZINC001321170033 838927031 /nfs/dbraw/zinc/92/70/31/838927031.db2.gz MMYYSPQMYMKXDV-UHFFFAOYSA-N 1 0 336.396 -0.052 20 5 EBBDRO C[NH+](C)[C@H]1CCCN(C(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC001324314961 839628002 /nfs/dbraw/zinc/62/80/02/839628002.db2.gz CKCKURCPHZEFKA-NSHDSACASA-N 1 0 338.368 -0.540 20 5 EBBDRO Cn1cc([C@@H]2CN(C(=O)Cn3cc([N+](=O)[O-])ccc3=O)C[C@H]2[NH3+])cn1 ZINC001325739149 839925395 /nfs/dbraw/zinc/92/53/95/839925395.db2.gz STTNUHRFENWQGO-QWHCGFSZSA-N 1 0 346.347 -0.557 20 5 EBBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CCCN2CCC(O)CC2)c1 ZINC001326232268 840066919 /nfs/dbraw/zinc/06/69/19/840066919.db2.gz OKIHGZBCPXSSTP-AWEZNQCLSA-N 1 0 327.385 -0.411 20 5 EBBDRO CS(=O)(=O)c1cc(C(=O)N2CCO[C@H](C[NH3+])C2)cc([N+](=O)[O-])c1 ZINC001326376247 840094301 /nfs/dbraw/zinc/09/43/01/840094301.db2.gz SMELZHIWBHTUHB-LLVKDONJSA-N 1 0 343.361 -0.202 20 5 EBBDRO CN1CC[C@H]([NH+]2CCC(NC(=O)c3c[nH]nc3[N+](=O)[O-])CC2)C1=O ZINC001329530878 840947763 /nfs/dbraw/zinc/94/77/63/840947763.db2.gz SIKBKHIUWHIPLF-NSHDSACASA-N 1 0 336.352 -0.257 20 5 EBBDRO O=C(NCCn1cc([N+](=O)[O-])cn1)c1cnnn1C1CC[NH2+]CC1 ZINC001329925096 841062903 /nfs/dbraw/zinc/06/29/03/841062903.db2.gz YYLBXHYGUIGVIV-UHFFFAOYSA-N 1 0 334.340 -0.263 20 5 EBBDRO O=C(NCCC1CC[NH2+]CC1)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC001332694712 841721472 /nfs/dbraw/zinc/72/14/72/841721472.db2.gz XRGOTCDLAVBFHN-UHFFFAOYSA-N 1 0 338.368 -0.587 20 5 EBBDRO C[C@@H]1COCC[N@@H+]1C1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC1 ZINC001347787705 843644624 /nfs/dbraw/zinc/64/46/24/843644624.db2.gz QSFDSBFNMHWMMQ-LLVKDONJSA-N 1 0 338.368 -0.102 20 5 EBBDRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC001348308182 843681305 /nfs/dbraw/zinc/68/13/05/843681305.db2.gz MUQDRBFPHIQCEZ-GXFFZTMASA-N 1 0 336.348 -0.044 20 5 EBBDRO [NH3+]CCC1CCN(C(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)CC1 ZINC001349626499 843923209 /nfs/dbraw/zinc/92/32/09/843923209.db2.gz LZDYYBMEHWAKEJ-UHFFFAOYSA-N 1 0 338.368 -0.505 20 5 EBBDRO Cc1nonc1CC(=O)N(C)CC[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC001691538364 1126299759 /nfs/dbraw/zinc/29/97/59/1126299759.db2.gz OPUBYTWLNFGVJA-UHFFFAOYSA-N 1 0 337.340 -0.190 20 5 EBBDRO CC[N@H+](C)CCC(=O)N1CCN(c2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC001093174749 1128303153 /nfs/dbraw/zinc/30/31/53/1128303153.db2.gz GTQRIPOIOLPLPK-UHFFFAOYSA-N 1 0 337.384 -0.043 20 5 EBBDRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000408074882 376304405 /nfs/dbraw/zinc/30/44/05/376304405.db2.gz SBELQWGJZPHJSY-NSHDSACASA-N 1 0 336.352 -0.304 20 5 EBBDRO COC[C@@H](O)C[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000584286345 376532272 /nfs/dbraw/zinc/53/22/72/376532272.db2.gz IUTJZQSPPSGQDP-NSHDSACASA-N 1 0 333.366 -0.530 20 5 EBBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N[C@@H](CO)C[NH+]1CCCCC1 ZINC000288458339 376640488 /nfs/dbraw/zinc/64/04/88/376640488.db2.gz JTXZILZWNKLEKB-GFCCVEGCSA-N 1 0 338.364 -0.281 20 5 EBBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000289361956 376685040 /nfs/dbraw/zinc/68/50/40/376685040.db2.gz ZGZZHQJWTIWBIT-LBPRGKRZSA-N 1 0 335.364 -0.737 20 5 EBBDRO CNS(=O)(=O)[C@@H]1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000363485852 376804027 /nfs/dbraw/zinc/80/40/27/376804027.db2.gz BTCFRXDGVLOPRT-LLVKDONJSA-N 1 0 342.377 -0.183 20 5 EBBDRO C[NH+](C)C[C@@H](CO)NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000590369301 377478687 /nfs/dbraw/zinc/47/86/87/377478687.db2.gz BOPKXBQLGSTLID-JTQLQIEISA-N 1 0 334.336 -0.172 20 5 EBBDRO C[C@@H]([NH3+])CNC(=O)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000591418754 377713230 /nfs/dbraw/zinc/71/32/30/377713230.db2.gz LKLIXMOJASZFKE-LLVKDONJSA-N 1 0 335.364 -0.293 20 5 EBBDRO CN1CC[NH2+]C[C@H]1CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000591684201 377750034 /nfs/dbraw/zinc/75/00/34/377750034.db2.gz VDSVJKLSKFUFNB-JTQLQIEISA-N 1 0 336.348 -0.001 20 5 EBBDRO COC(=O)[C@@H]1C[C@@H](O)C[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000592195985 377803327 /nfs/dbraw/zinc/80/33/27/377803327.db2.gz IVOAOFFGNFJJNG-YUSALJHKSA-N 1 0 328.325 -0.992 20 5 EBBDRO C[C@H]([NH3+])CNC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000592333050 377819494 /nfs/dbraw/zinc/81/94/94/377819494.db2.gz HDZFTLAMSHJMDI-VIFPVBQESA-N 1 0 330.366 -0.321 20 5 EBBDRO C[C@@H]([NH3+])CNC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000592546913 377840770 /nfs/dbraw/zinc/84/07/70/377840770.db2.gz KMVXHKNFPXYUCC-SECBINFHSA-N 1 0 330.366 -0.273 20 5 EBBDRO CCO[C@@H]1CN(S(=O)(=O)c2cccnc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000593731448 377910179 /nfs/dbraw/zinc/91/01/79/377910179.db2.gz XDTGKADKBDVYML-NXEZZACHSA-N 1 0 330.366 -0.026 20 5 EBBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCCCN2CC[NH2+]CC2)nc1 ZINC000595111876 377976067 /nfs/dbraw/zinc/97/60/67/377976067.db2.gz VTWFAKOWEHZGIY-UHFFFAOYSA-N 1 0 329.382 -0.437 20 5 EBBDRO C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000595281854 377989917 /nfs/dbraw/zinc/98/99/17/377989917.db2.gz SWPAHYCTKCWKTN-LBPRGKRZSA-N 1 0 349.391 -0.033 20 5 EBBDRO [NH3+]CCN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C[C@H](O)CO ZINC000595902266 378035861 /nfs/dbraw/zinc/03/58/61/378035861.db2.gz QGCOHHLVXMLQMQ-JTQLQIEISA-N 1 0 346.771 -0.199 20 5 EBBDRO NS(=O)(=O)c1ccc(NCC[N@@H+]2CC[C@H](O)C2)c([N+](=O)[O-])c1 ZINC000599201576 378206079 /nfs/dbraw/zinc/20/60/79/378206079.db2.gz GWDAWYWJZFYAIJ-VIFPVBQESA-N 1 0 330.366 -0.279 20 5 EBBDRO CS[C@H]1CN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000599269310 378217780 /nfs/dbraw/zinc/21/77/80/378217780.db2.gz RJWPTOYVANDYIG-WPRPVWTQSA-N 1 0 349.438 -0.006 20 5 EBBDRO C[NH+](C)[C@H]1CN(c2ncnc(N3CCOCC3)c2[N+](=O)[O-])C[C@@H]1O ZINC000598628091 378174346 /nfs/dbraw/zinc/17/43/46/378174346.db2.gz ZIYYQBKLFPTUDM-QWRGUYRKSA-N 1 0 338.368 -0.668 20 5 EBBDRO C[NH+](C)C[C@@](C)(O)CNc1ncnc(N2CCOCC2)c1[N+](=O)[O-] ZINC000598607208 378175283 /nfs/dbraw/zinc/17/52/83/378175283.db2.gz LHFDBEMKKFLJNQ-AWEZNQCLSA-N 1 0 340.384 -0.054 20 5 EBBDRO O=C(c1cc([N+](=O)[O-])n[nH]1)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000567835290 378253385 /nfs/dbraw/zinc/25/33/85/378253385.db2.gz HBCHMDVWHIRPQV-JTQLQIEISA-N 1 0 336.352 -0.398 20 5 EBBDRO CC(C)(C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1)n1cc([N+](=O)[O-])cn1 ZINC000569002094 378444964 /nfs/dbraw/zinc/44/49/64/378444964.db2.gz XCZWDPYBZJNVIP-KOLCDFICSA-N 1 0 336.352 -0.703 20 5 EBBDRO [NH3+]C1CCN(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000570093578 378508575 /nfs/dbraw/zinc/50/85/75/378508575.db2.gz WLVSSJLQPJXHFN-UHFFFAOYSA-N 1 0 342.377 -0.177 20 5 EBBDRO COc1ccc(C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000563438729 379020197 /nfs/dbraw/zinc/02/01/97/379020197.db2.gz QLZUJAFAPYDFJN-GHMZBOCLSA-N 1 0 334.332 -0.013 20 5 EBBDRO C[NH2+]CCNC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000417349202 379324477 /nfs/dbraw/zinc/32/44/77/379324477.db2.gz ZYFIHIFJAMJCIB-UHFFFAOYSA-N 1 0 345.381 -0.608 20 5 EBBDRO [NH3+]CCCNC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000417339569 379325687 /nfs/dbraw/zinc/32/56/87/379325687.db2.gz LGXASSSDGZPREB-UHFFFAOYSA-N 1 0 345.381 -0.479 20 5 EBBDRO [NH3+]CCNC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000417701792 379327469 /nfs/dbraw/zinc/32/74/69/379327469.db2.gz OCDSMMZPVKKQQO-UHFFFAOYSA-N 1 0 331.354 -0.869 20 5 EBBDRO CCn1nc2c(cc1=O)C[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)CC2 ZINC000078613186 379373723 /nfs/dbraw/zinc/37/37/23/379373723.db2.gz OPHKRRZBYIPHMJ-ZDUSSCGKSA-N 1 0 348.363 -0.213 20 5 EBBDRO C[NH+](C)CCCNC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000350901338 379580606 /nfs/dbraw/zinc/58/06/06/379580606.db2.gz ZWNRHHLWQXHRLH-UHFFFAOYSA-N 1 0 344.393 -0.059 20 5 EBBDRO O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)NCC[N@H+]1CC[C@@H](O)C1 ZINC000600525814 379650655 /nfs/dbraw/zinc/65/06/55/379650655.db2.gz DSZDOKMWQMRRKJ-CYBMUJFWSA-N 1 0 336.348 -0.493 20 5 EBBDRO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000353844077 379701393 /nfs/dbraw/zinc/70/13/93/379701393.db2.gz SVEZQBXRRFYODJ-UHFFFAOYSA-N 1 0 339.400 -0.329 20 5 EBBDRO NS(=O)(=O)c1ccc(N2CCC([NH2+]CCO)CC2)c([N+](=O)[O-])c1 ZINC000356787196 379726475 /nfs/dbraw/zinc/72/64/75/379726475.db2.gz BWFDCYRYFHIDQP-UHFFFAOYSA-N 1 0 344.393 -0.207 20 5 EBBDRO Cc1c(C(=O)N2CC([NH+](C)C)C2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000271758717 379762010 /nfs/dbraw/zinc/76/20/10/379762010.db2.gz OMUJAIKDZYSEMD-UHFFFAOYSA-N 1 0 342.377 -0.063 20 5 EBBDRO [NH3+][C@@H]1CCN(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000580647103 380807599 /nfs/dbraw/zinc/80/75/99/380807599.db2.gz YVKGZEHPXUSKGR-SECBINFHSA-N 1 0 328.350 -0.567 20 5 EBBDRO [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)CCO1 ZINC000579942288 381023207 /nfs/dbraw/zinc/02/32/07/381023207.db2.gz UKOAMIINFXNDLC-GFCCVEGCSA-N 1 0 348.359 -0.334 20 5 EBBDRO NC(=O)[C@@H]1CC[C@@H](C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)O1 ZINC000581365167 381069454 /nfs/dbraw/zinc/06/94/54/381069454.db2.gz HTHFCJQPEJDEQV-XBFCOCLRSA-N 1 0 339.348 -0.043 20 5 EBBDRO NC(=O)[C@@H]1CC[C@@H](C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])O1 ZINC000580828941 381038002 /nfs/dbraw/zinc/03/80/02/381038002.db2.gz RYVSWCAOYWNZBR-MJVIPROJSA-N 1 0 339.348 -0.043 20 5 EBBDRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000151623162 381464885 /nfs/dbraw/zinc/46/48/85/381464885.db2.gz DLRNJPAECHUMDN-JTQLQIEISA-N 1 0 335.368 -0.290 20 5 EBBDRO COCC[N@H+](C)CCCNC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000299537621 155161087 /nfs/dbraw/zinc/16/10/87/155161087.db2.gz SXCVEKYJQMRPLR-UHFFFAOYSA-N 1 0 326.353 -0.159 20 5 EBBDRO [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000193698225 154161952 /nfs/dbraw/zinc/16/19/52/154161952.db2.gz RYUGPLVUMIDFLK-LLVKDONJSA-N 1 0 338.368 -0.363 20 5 EBBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC[C@H]2CN2CCOCC2)c1 ZINC000247459989 154186724 /nfs/dbraw/zinc/18/67/24/154186724.db2.gz IGXAVEXDXCMGNE-ZFWWWQNUSA-N 1 0 339.396 -0.051 20 5 EBBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CC[C@@H](CN3CCOCC3)C2)c1 ZINC000247493976 154187181 /nfs/dbraw/zinc/18/71/81/154187181.db2.gz LDIYITGURVULKG-ZFWWWQNUSA-N 1 0 339.396 -0.194 20 5 EBBDRO CN(CC(=O)Nc1ccccc1[N+](=O)[O-])CC(=O)N1CC[NH2+]CC1 ZINC000261941302 154205937 /nfs/dbraw/zinc/20/59/37/154205937.db2.gz UTCBRSACCJEMDA-UHFFFAOYSA-N 1 0 335.364 -0.103 20 5 EBBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC[C@H]1C[NH2+]C[C@H]1O ZINC000262340476 154227102 /nfs/dbraw/zinc/22/71/02/154227102.db2.gz TTWPKBXKLVAFIZ-UFGOTCBOSA-N 1 0 336.348 -0.590 20 5 EBBDRO C[C@H]([NH3+])[C@H](C)C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000262463687 154231979 /nfs/dbraw/zinc/23/19/79/154231979.db2.gz KWYIKIAYXQFJQR-UWVGGRQHSA-N 1 0 344.393 -0.027 20 5 EBBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000262559893 154238265 /nfs/dbraw/zinc/23/82/65/154238265.db2.gz VCQZBEUWQRUFRO-JTQLQIEISA-N 1 0 331.350 -0.048 20 5 EBBDRO O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@H]1CC[NH2+]C1 ZINC000262638051 154241232 /nfs/dbraw/zinc/24/12/32/154241232.db2.gz XXISGQDCSJSEHQ-JTQLQIEISA-N 1 0 342.377 -0.401 20 5 EBBDRO CN1CC[N@H+](C)C[C@H]1CNc1ccc([N+](=O)[O-])cc1S(N)(=O)=O ZINC000264733649 154290774 /nfs/dbraw/zinc/29/07/74/154290774.db2.gz JJFWZIHIFFSHJY-LLVKDONJSA-N 1 0 343.409 -0.100 20 5 EBBDRO C[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000292128894 155029265 /nfs/dbraw/zinc/02/92/65/155029265.db2.gz IOFURDLAAFLLRY-CMPLNLGQSA-N 1 0 347.397 -0.882 20 5 EBBDRO C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000294540129 155061384 /nfs/dbraw/zinc/06/13/84/155061384.db2.gz GMFHCBNQZZBJDY-DGCLKSJQSA-N 1 0 338.364 -0.330 20 5 EBBDRO O=C(Cn1cnc([N+](=O)[O-])n1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000345970723 156375254 /nfs/dbraw/zinc/37/52/54/156375254.db2.gz CPVSFDROMDVXHA-UHFFFAOYSA-N 1 0 338.368 -0.243 20 5 EBBDRO COC(=O)c1cc([N+](=O)[O-])cn(C[C@@H](O)C[N@H+](C)C2CC2)c1=O ZINC000357433120 157143662 /nfs/dbraw/zinc/14/36/62/157143662.db2.gz CRVBIVGCUWCISN-NSHDSACASA-N 1 0 325.321 -0.002 20 5 EBBDRO COc1ccc(S(=O)(=O)NC[C@]2(O)CC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000358190251 157227153 /nfs/dbraw/zinc/22/71/53/157227153.db2.gz DTQVFPMYRCHDQC-CYBMUJFWSA-N 1 0 345.377 -0.052 20 5 EBBDRO COC(=O)[C@H]1CSCC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000412087661 419141115 /nfs/dbraw/zinc/14/11/15/419141115.db2.gz WGKVUVXMJNQPML-PWSUYJOCSA-N 1 0 344.393 -0.010 20 5 EBBDRO C[C@H](C[NH3+])CNC(=O)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000419950316 420908041 /nfs/dbraw/zinc/90/80/41/420908041.db2.gz HBTMWHOMJWCUKJ-GFCCVEGCSA-N 1 0 349.391 -0.046 20 5 EBBDRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(c2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000301800444 420912467 /nfs/dbraw/zinc/91/24/67/420912467.db2.gz BXEIPBHNPAXIKI-JTQLQIEISA-N 1 0 335.368 -0.115 20 5 EBBDRO NC(=O)c1ccnc(NCCC[N@H+]2CCC[C@@H]2C(N)=O)c1[N+](=O)[O-] ZINC000357241537 421220443 /nfs/dbraw/zinc/22/04/43/421220443.db2.gz UFRMHRRIAZXCBH-SNVBAGLBSA-N 1 0 336.352 -0.160 20 5 EBBDRO C[C@@H]1CCN(C(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)C[C@@H]1C[NH3+] ZINC000419469930 264871095 /nfs/dbraw/zinc/87/10/95/264871095.db2.gz XJXRVDYDGXBEHG-MNOVXSKESA-N 1 0 338.368 -0.649 20 5 EBBDRO [NH3+][C@H]1CCCN(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000422693911 264970608 /nfs/dbraw/zinc/97/06/08/264970608.db2.gz RUFDQGMJRXSPEY-JTQLQIEISA-N 1 0 342.377 -0.177 20 5 EBBDRO [NH3+]C[C@H]1CCN(C(=O)C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000423583005 265014385 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-0.299 20 5 EBBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2nnc3n2CCOC3)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001022063736 729451598 /nfs/dbraw/zinc/45/15/98/729451598.db2.gz KJVLKZUKTZSDAV-LMLFDSFASA-N 1 0 336.352 -0.790 20 5 EBBDRO O=C(Cn1ncnn1)N[C@@H]1[C@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC001025783588 730087434 /nfs/dbraw/zinc/08/74/34/730087434.db2.gz PFMULZCDPSIPRJ-NHAGDIPZSA-N 1 0 343.347 -0.172 20 5 EBBDRO O=C(N[C@H]1CC[C@H]([NH2+]CCN2CCNC2=O)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001034644478 731147971 /nfs/dbraw/zinc/14/79/71/731147971.db2.gz HMIVMQBLBDTEAP-FDYHWXHSSA-N 1 0 339.396 -0.306 20 5 EBBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]C[C@H]1C[C@H](NC(=O)c2cn[nH]n2)C1 ZINC000984147053 807192288 /nfs/dbraw/zinc/19/22/88/807192288.db2.gz JPXBXMJCHGAIQY-KYZUINATSA-N 1 0 334.340 -0.255 20 5 EBBDRO C[NH+](C)Cc1ccoc1C(=O)N1CC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000991292688 809248097 /nfs/dbraw/zinc/24/80/97/809248097.db2.gz HMDNXUKHCCAEBN-VXGBXAGGSA-N 1 0 336.348 -0.053 20 5 EBBDRO C[C@@H](Cn1cnc2c1c(=O)n(C)c(=O)n2C)OCCC[N+](C)(C)C ZINC001224622542 811768381 /nfs/dbraw/zinc/76/83/81/811768381.db2.gz HYXSQJVORIPDRO-LBPRGKRZSA-N 1 0 338.432 -0.065 20 5 EBBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccnc(N2CCOCC2)n1 ZINC001226752140 811883151 /nfs/dbraw/zinc/88/31/51/811883151.db2.gz DMQZLHFLJTXZGG-GFCCVEGCSA-N 1 0 325.389 -0.324 20 5 EBBDRO COC(=O)Cc1c(=O)[nH]cnc1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001230502197 812177614 /nfs/dbraw/zinc/17/76/14/812177614.db2.gz WDWXPGAKLOYHHG-SECBINFHSA-O 1 0 328.345 -0.740 20 5 EBBDRO COC(=O)c1nc(C)[nH]c(=O)c1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001234557514 812438554 /nfs/dbraw/zinc/43/85/54/812438554.db2.gz LOLRXOHOMGLTTJ-SECBINFHSA-O 1 0 328.345 -0.360 20 5 EBBDRO Cn1ncc([N+](=O)[O-])c1C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC001253912831 812690863 /nfs/dbraw/zinc/69/08/63/812690863.db2.gz OBTAAQSUQJBOBR-SNVBAGLBSA-N 1 0 338.368 -0.355 20 5 EBBDRO CC(C)NC(=O)NCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001266683205 813639253 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MEWRDPFLJNKSCE-GWOFURMSSA-N 1 0 334.336 -0.683 20 5 EBBDRO COc1cc(C(=O)N(C)CC[NH2+]Cc2c([N+](=O)[O-])ncn2C)ncn1 ZINC001317586955 822165209 /nfs/dbraw/zinc/16/52/09/822165209.db2.gz BKVNJQPINJMEDH-UHFFFAOYSA-N 1 0 349.351 -0.011 20 5 EBBDRO COC(=O)C1(O)CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC001116447584 826619872 /nfs/dbraw/zinc/61/98/72/826619872.db2.gz OEINFRIYWNZJCZ-LLVKDONJSA-N 1 0 328.325 -0.848 20 5 EBBDRO O=C(NC[C@@H]1C[NH2+]CCCO1)C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001117984974 826835566 /nfs/dbraw/zinc/83/55/66/826835566.db2.gz DGDLNSBQAFXCHC-AWEZNQCLSA-N 1 0 348.359 -0.068 20 5 EBBDRO Cc1nn(C)c(C)c1NC(=O)C[NH2+]CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126943447 828235453 /nfs/dbraw/zinc/23/54/53/828235453.db2.gz OVGMCBQERVYEEK-GHMZBOCLSA-N 1 0 338.368 -0.654 20 5 EBBDRO CC(C)CCOCCNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126949397 828235520 /nfs/dbraw/zinc/23/55/20/828235520.db2.gz QQIRVHOFEFYPFF-CHWSQXEVSA-N 1 0 344.412 -0.464 20 5 EBBDRO Cn1c(=O)[nH]cc(C(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)c1=O ZINC001132241570 829392343 /nfs/dbraw/zinc/39/23/43/829392343.db2.gz AXTQNRLILJGZFP-UHFFFAOYSA-N 1 0 347.331 -0.086 20 5 EBBDRO C[C@@H](NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)[C@H]1C[N@H+](C)CCN1C ZINC001136875039 830090999 /nfs/dbraw/zinc/09/09/99/830090999.db2.gz WQSUCIFEGFHFRU-VXGBXAGGSA-N 1 0 337.380 -0.493 20 5 EBBDRO O=C(Cn1cnnn1)NCCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001154499368 831342538 /nfs/dbraw/zinc/34/25/38/831342538.db2.gz MBTIXNRTBYAQJD-UHFFFAOYSA-N 1 0 325.354 -0.061 20 5 EBBDRO C[N@H+](CCO)CCNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC001155250854 831395002 /nfs/dbraw/zinc/39/50/02/831395002.db2.gz DFFQVXQBKBQPGC-UHFFFAOYSA-N 1 0 334.336 -0.171 20 5 EBBDRO Cc1nnc(CC(=O)NCCC[NH2+]Cc2c([N+](=O)[O-])ncn2C)[nH]1 ZINC001157736321 831588211 /nfs/dbraw/zinc/58/82/11/831588211.db2.gz DXPWCQIKAGHCJI-UHFFFAOYSA-N 1 0 336.356 -0.407 20 5 EBBDRO Cc1csc(=O)n1CC[NH2+]CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157774792 831591359 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349.347 -0.258 20 5 EBBDRO CCS(=O)(=O)CC(=O)NCCC[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC001176953051 832717095 /nfs/dbraw/zinc/71/70/95/832717095.db2.gz FWFHGLAZIDIRJY-UHFFFAOYSA-N 1 0 347.397 -0.641 20 5 EBBDRO O=C(C[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)Nc1cnccn1 ZINC001200461468 835970627 /nfs/dbraw/zinc/97/06/27/835970627.db2.gz DBPNPBZSHSCPDC-VXGBXAGGSA-N 1 0 348.363 -0.339 20 5 EBBDRO Cc1nn(C)c(C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)c1[N+](=O)[O-] ZINC001326281463 840079526 /nfs/dbraw/zinc/07/95/26/840079526.db2.gz AHPBYLLUKYCVBG-JTQLQIEISA-N 1 0 338.368 -0.436 20 5 EBBDRO O=C(CN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)N1CC[NH2+]CC1 ZINC001326392433 840098232 /nfs/dbraw/zinc/09/82/32/840098232.db2.gz ZKXOGSGOVIPESF-GFCCVEGCSA-N 1 0 334.380 -0.092 20 5 EBBDRO C[NH2+]CCOCCN(C)C(=O)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC001328981567 840806323 /nfs/dbraw/zinc/80/63/23/840806323.db2.gz PMBWPDICYUXKLO-UHFFFAOYSA-N 1 0 338.364 -0.095 20 5 EBBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CC2(OCCO)CCOCC2)c1 ZINC001329432674 840917614 /nfs/dbraw/zinc/91/76/14/840917614.db2.gz GWMHTWMDVZLKNI-ZDUSSCGKSA-N 1 0 344.368 -0.700 20 5 EBBDRO O=C(NC[C@@H]1COCC[NH2+]1)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001330052444 841103968 /nfs/dbraw/zinc/10/39/68/841103968.db2.gz OHPZNALMDSSYIY-CYBMUJFWSA-N 1 0 348.359 -0.416 20 5 EBBDRO CCN(CCC[NH+](C)C)C(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC001343187139 843204855 /nfs/dbraw/zinc/20/48/55/843204855.db2.gz WSGIJQMLIXAASY-UHFFFAOYSA-N 1 0 340.384 -0.292 20 5 EBBDRO CN(CC[NH2+]Cc1c([N+](=O)[O-])ncn1C)C(=O)c1cc[n+]([O-])cc1 ZINC001493472617 1125821427 /nfs/dbraw/zinc/82/14/27/1125821427.db2.gz PLKOGAIKYIWROF-UHFFFAOYSA-N 1 0 334.336 -0.177 20 5 EBBDRO CN(C)C(=O)C[NH+]1CCC(C)(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001484136005 1126508405 /nfs/dbraw/zinc/50/84/05/1126508405.db2.gz QTVTWXNWMJJPAO-VXGBXAGGSA-N 1 0 326.397 -0.042 20 5 EBBDRO CS(=O)(=O)CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001484567707 1126603877 /nfs/dbraw/zinc/60/38/77/1126603877.db2.gz STJDXWXVVRTYOG-FDYHWXHSSA-N 1 0 347.437 -0.039 20 5 EBBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000319767022 375885923 /nfs/dbraw/zinc/88/59/23/375885923.db2.gz KSHALKBCDUFZHZ-UHFFFAOYSA-N 1 0 342.377 -0.387 20 5 EBBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000319913965 375890365 /nfs/dbraw/zinc/89/03/65/375890365.db2.gz ANOSPJQCXGWCDQ-UHFFFAOYSA-N 1 0 342.377 -0.387 20 5 EBBDRO C[C@@H](NC(=O)CCn1cc([N+](=O)[O-])cn1)C(=O)NCC[NH+](C)C ZINC000560566888 376085760 /nfs/dbraw/zinc/08/57/60/376085760.db2.gz QWLVMTPTFUOODL-SNVBAGLBSA-N 1 0 326.357 -0.636 20 5 EBBDRO C[NH+](C)CCN1C[C@@H](C(=O)NCCn2cc([N+](=O)[O-])cn2)CC1=O ZINC000156982425 376245423 /nfs/dbraw/zinc/24/54/23/376245423.db2.gz BUIUNWKIAVMWKX-NSHDSACASA-N 1 0 338.368 -0.682 20 5 EBBDRO CCn1cc(S(=O)(=O)NC[C@@](C)(O)C[NH+](C)C)c([N+](=O)[O-])n1 ZINC000339046287 376636760 /nfs/dbraw/zinc/63/67/60/376636760.db2.gz AJRPAJMXTRXOAS-LLVKDONJSA-N 1 0 335.386 -0.598 20 5 EBBDRO CN(C(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@H]1CC[NH2+]C1 ZINC000570633440 377263248 /nfs/dbraw/zinc/26/32/48/377263248.db2.gz VIAWJGQGDHLHJN-JTQLQIEISA-N 1 0 342.377 -0.307 20 5 EBBDRO CC1CC[NH+](C[C@H](O)CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000563140062 377417171 /nfs/dbraw/zinc/41/71/71/377417171.db2.gz BLCFQISXIFAZQN-HUUCEWRRSA-N 1 0 341.412 -0.165 20 5 EBBDRO CC1CC[NH+](C[C@@H](O)CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000563140061 377417748 /nfs/dbraw/zinc/41/77/48/377417748.db2.gz BLCFQISXIFAZQN-GJZGRUSLSA-N 1 0 341.412 -0.165 20 5 EBBDRO CC1(C)COCCN1CC[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000565828469 377452504 /nfs/dbraw/zinc/45/25/04/377452504.db2.gz QXNBBFCVESCTKF-CYBMUJFWSA-N 1 0 327.385 -0.147 20 5 EBBDRO CC(C)(C)NS(=O)(=O)CC[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000591725128 377749312 /nfs/dbraw/zinc/74/93/12/377749312.db2.gz CXRFHHPXZDCXGN-NSHDSACASA-N 1 0 349.413 -0.540 20 5 EBBDRO O=[N+]([O-])c1cnn(C[C@H](O)CNC[C@@H](O)C[NH+]2CCCCC2)c1 ZINC000592429231 377836025 /nfs/dbraw/zinc/83/60/25/377836025.db2.gz ALKZVNJPMRQVKT-ZIAGYGMSSA-N 1 0 327.385 -0.411 20 5 EBBDRO NS(=O)(=O)c1cccc(N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)c1[N+](=O)[O-] ZINC000594604232 377944835 /nfs/dbraw/zinc/94/48/35/377944835.db2.gz UGRHOXTVCVXPPJ-VHSXEESVSA-N 1 0 342.377 -0.503 20 5 EBBDRO [NH3+][C@@H]1C[C@@H]2CN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CCN2C1=O ZINC000594876032 377965986 /nfs/dbraw/zinc/96/59/86/377965986.db2.gz ZTMGSWYBVFLXQA-ZYHUDNBSSA-N 1 0 340.361 -0.473 20 5 EBBDRO C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000595282080 377992231 /nfs/dbraw/zinc/99/22/31/377992231.db2.gz UOUSZCSJSDXGRM-LBPRGKRZSA-N 1 0 349.391 -0.033 20 5 EBBDRO CN(C)C(=O)N(C)[C@H]1CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000595826886 378028661 /nfs/dbraw/zinc/02/86/61/378028661.db2.gz PNHSOACLYIHHQQ-AAEUAGOBSA-N 1 0 340.384 -0.160 20 5 EBBDRO C[NH+](C)C[C@H](CO)NC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598901732 378187103 /nfs/dbraw/zinc/18/71/03/378187103.db2.gz CXEUVBHVOMBFDC-LLVKDONJSA-N 1 0 339.352 -0.245 20 5 EBBDRO O=C1CN(CC[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCN1 ZINC000567711536 378187371 /nfs/dbraw/zinc/18/73/71/378187371.db2.gz GHWAVAACGALYEU-GFCCVEGCSA-N 1 0 338.364 -0.644 20 5 EBBDRO COC[C@@]1(CNS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CCC[NH2+]1 ZINC000599105436 378196815 /nfs/dbraw/zinc/19/68/15/378196815.db2.gz CIUFOBAINOBKBK-NSHDSACASA-N 1 0 333.370 -0.625 20 5 EBBDRO NS(=O)(=O)c1c(NCC[N@@H+]2CC[C@@H](O)C2)cccc1[N+](=O)[O-] ZINC000599175942 378201346 /nfs/dbraw/zinc/20/13/46/378201346.db2.gz KFNWWELNECOFAY-SECBINFHSA-N 1 0 330.366 -0.279 20 5 EBBDRO CNS(=O)(=O)c1ccc(NCC[N@@H+]2CC[C@H](O)C2)c([N+](=O)[O-])c1 ZINC000599201860 378205212 /nfs/dbraw/zinc/20/52/12/378205212.db2.gz LAYKVKYAXMFRFY-JTQLQIEISA-N 1 0 344.393 -0.019 20 5 EBBDRO CNc1nccc(C(=O)N=c2ccn(CCN(C)C)[nH]2)c1[N+](=O)[O-] ZINC000568105025 378329997 /nfs/dbraw/zinc/32/99/97/378329997.db2.gz MEBIZGHEPONWOG-UHFFFAOYSA-N 1 0 333.352 -0.114 20 5 EBBDRO Cc1n[nH]c(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c1[N+](=O)[O-] ZINC000341854604 378379293 /nfs/dbraw/zinc/37/92/93/378379293.db2.gz XDYVBBSUARMVBA-SNVBAGLBSA-N 1 0 338.368 -0.056 20 5 EBBDRO CC(C)(C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1)n1cc([N+](=O)[O-])cn1 ZINC000569002096 378445325 /nfs/dbraw/zinc/44/53/25/378445325.db2.gz XCZWDPYBZJNVIP-ONGXEEELSA-N 1 0 336.352 -0.703 20 5 EBBDRO CCOC[C@H](O)C[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000570443983 378510515 /nfs/dbraw/zinc/51/05/15/378510515.db2.gz HQNVQMGPSPKJGT-GFCCVEGCSA-N 1 0 347.393 -0.140 20 5 EBBDRO C[C@H]1CN(C(=O)C(=O)NCCOc2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC000574142934 379234300 /nfs/dbraw/zinc/23/43/00/379234300.db2.gz IUILBYMZWFTCEY-NSHDSACASA-N 1 0 336.348 -0.090 20 5 EBBDRO O=C(N[C@@H]1CC[NH2+]C1)C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000419887016 379347392 /nfs/dbraw/zinc/34/73/92/379347392.db2.gz PVIRZKRQIFAYIK-SNVBAGLBSA-N 1 0 334.332 -0.338 20 5 EBBDRO C[C@@H]1CN(c2cccc([N+](=O)[O-])c2S(N)(=O)=O)CCN1CCO ZINC000548288372 379736283 /nfs/dbraw/zinc/73/62/83/379736283.db2.gz SYFYIQPYKGPMLM-SNVBAGLBSA-N 1 0 344.393 -0.255 20 5 EBBDRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000189422065 380907310 /nfs/dbraw/zinc/90/73/10/380907310.db2.gz RVDSFHAQAPHKDX-OCCSQVGLSA-N 1 0 341.412 -0.071 20 5 EBBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000619496778 381295521 /nfs/dbraw/zinc/29/55/21/381295521.db2.gz NRPUISZHKHFOSY-CYBMUJFWSA-N 1 0 345.377 -0.052 20 5 EBBDRO CCNC(=O)N1CC[C@@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000575174897 381517216 /nfs/dbraw/zinc/51/72/16/381517216.db2.gz YLOJTTWHDJAKIT-PWSUYJOCSA-N 1 0 326.357 -0.454 20 5 EBBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000576331625 381782561 /nfs/dbraw/zinc/78/25/61/381782561.db2.gz PMVGNKWIYPSTPQ-RISCZKNCSA-N 1 0 348.359 -0.090 20 5 EBBDRO NC(=O)[C@]1([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCOC1 ZINC000576714897 381912437 /nfs/dbraw/zinc/91/24/37/381912437.db2.gz HYHCXBZUDGXSTJ-FZMZJTMJSA-N 1 0 325.321 -0.432 20 5 EBBDRO O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)NCC1C[NH2+]C1 ZINC000262061038 154210761 /nfs/dbraw/zinc/21/07/61/154210761.db2.gz YYBZFZZTXPDRAV-UHFFFAOYSA-N 1 0 342.377 -0.401 20 5 EBBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000262340474 154224482 /nfs/dbraw/zinc/22/44/82/154224482.db2.gz TTWPKBXKLVAFIZ-GAFUQQFSSA-N 1 0 336.348 -0.590 20 5 EBBDRO C[NH2+]CCC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000262347911 154226801 /nfs/dbraw/zinc/22/68/01/154226801.db2.gz GCJAWLMOFYTUGS-UHFFFAOYSA-N 1 0 330.366 -0.401 20 5 EBBDRO C[NH2+]CCN(C)C(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000263254987 154256430 /nfs/dbraw/zinc/25/64/30/154256430.db2.gz QKJMRUWIIJCMTB-UHFFFAOYSA-N 1 0 344.393 -0.107 20 5 EBBDRO C[C@H](CC(N)=O)[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000267266736 154369141 /nfs/dbraw/zinc/36/91/41/154369141.db2.gz RKXVFOIHBWFTOQ-SECBINFHSA-N 1 0 330.366 -0.273 20 5 EBBDRO C[C@@H](CNC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-])[NH+](C)C ZINC000294424303 155061194 /nfs/dbraw/zinc/06/11/94/155061194.db2.gz PXJKFHGLAVJUKP-JTQLQIEISA-N 1 0 344.393 -0.061 20 5 EBBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000357254373 157130577 /nfs/dbraw/zinc/13/05/77/157130577.db2.gz HVRLVNXJOXFXMY-LBPRGKRZSA-N 1 0 335.364 -0.737 20 5 EBBDRO COC(=O)c1cc([N+](=O)[O-])cn(C[C@H](O)C[N@H+](C)C2CC2)c1=O ZINC000357433116 157143451 /nfs/dbraw/zinc/14/34/51/157143451.db2.gz CRVBIVGCUWCISN-LLVKDONJSA-N 1 0 325.321 -0.002 20 5 EBBDRO C[NH+](C)CCNC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000357612247 157160883 /nfs/dbraw/zinc/16/08/83/157160883.db2.gz JIHMMYGMVJUTBK-UHFFFAOYSA-N 1 0 344.393 -0.059 20 5 EBBDRO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000416293031 419860920 /nfs/dbraw/zinc/86/09/20/419860920.db2.gz JHAHSDLWEALJIE-NWDGAFQWSA-N 1 0 338.364 -0.330 20 5 EBBDRO CN1CC[NH2+]C[C@H]1CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000420463883 420911836 /nfs/dbraw/zinc/91/18/36/420911836.db2.gz WVNDXUKXMPWOPS-ZDUSSCGKSA-N 1 0 328.394 -0.082 20 5 EBBDRO CN1CC[NH2+]C[C@@H]1CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000394098366 420938506 /nfs/dbraw/zinc/93/85/06/420938506.db2.gz YFRMMIRPSARHCR-CYBMUJFWSA-N 1 0 328.394 -0.082 20 5 EBBDRO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000494715846 420943683 /nfs/dbraw/zinc/94/36/83/420943683.db2.gz ASZAUOYXOHCKSE-JQWIXIFHSA-N 1 0 347.397 -0.834 20 5 EBBDRO CNc1nccc(C(=O)N[C@H](C)CN2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000553092400 421220813 /nfs/dbraw/zinc/22/08/13/421220813.db2.gz FBSMIGWKUVZEDI-LLVKDONJSA-N 1 0 336.396 0.397 20 5 EBBDRO CNc1nccc(C(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)c1[N+](=O)[O-] ZINC000597625541 421221048 /nfs/dbraw/zinc/22/10/48/421221048.db2.gz PBUAFSGFFDHYTM-NSHDSACASA-N 1 0 334.380 0.151 20 5 EBBDRO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000419500115 264871243 /nfs/dbraw/zinc/87/12/43/264871243.db2.gz WTQJZRXNEUMSBJ-NWDGAFQWSA-N 1 0 340.384 -0.112 20 5 EBBDRO COCC[NH2+]CCNC(=O)CNC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000423467023 265007228 /nfs/dbraw/zinc/00/72/28/265007228.db2.gz ADZMOMRTAPVFGO-UHFFFAOYSA-N 1 0 338.364 -0.015 20 5 EBBDRO CC[C@H]([NH3+])CNC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000423672651 265030071 /nfs/dbraw/zinc/03/00/71/265030071.db2.gz FCXCXBSMVIBGMX-VIFPVBQESA-N 1 0 330.366 -0.273 20 5 EBBDRO Cc1cc(C(=O)NCC(=O)NC[C@H]2C[NH2+]CCN2C)ccc1[N+](=O)[O-] ZINC000423711773 265036332 /nfs/dbraw/zinc/03/63/32/265036332.db2.gz CKAPUXMMDYOGAN-CYBMUJFWSA-N 1 0 349.391 -0.347 20 5 EBBDRO [NH3+][C@@H]1C[C@@H]1C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000424115584 265048399 /nfs/dbraw/zinc/04/83/99/265048399.db2.gz VSCFJKQODHYZGG-WDEREUQCSA-N 1 0 328.350 -0.664 20 5 EBBDRO CCn1cc([N+](=O)[O-])c(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)n1 ZINC000427463388 265106836 /nfs/dbraw/zinc/10/68/36/265106836.db2.gz SFCZMJZRGJYQHJ-SNVBAGLBSA-N 1 0 338.368 -0.119 20 5 EBBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000434447499 265204122 /nfs/dbraw/zinc/20/41/22/265204122.db2.gz BKQVNHBTTRFFMA-ZDUSSCGKSA-N 1 0 338.364 -0.281 20 5 EBBDRO CN(CC(=O)N1CC[NH2+]CC1)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000440348131 265284983 /nfs/dbraw/zinc/28/49/83/265284983.db2.gz WZYAAPYKYHNHBM-UHFFFAOYSA-N 1 0 348.406 -0.291 20 5 EBBDRO C[NH+](C)C[C@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)CCO1 ZINC000736758628 582953986 /nfs/dbraw/zinc/95/39/86/582953986.db2.gz HLSSVTOUCCMWNH-JTQLQIEISA-N 1 0 334.340 -0.063 20 5 EBBDRO CC[NH2+]CC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000818434921 583743253 /nfs/dbraw/zinc/74/32/53/583743253.db2.gz KPTVWTBCTURHNF-UHFFFAOYSA-N 1 0 330.366 -0.401 20 5 EBBDRO CC(C)(C)S(=O)(=O)CC[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000819061039 583754404 /nfs/dbraw/zinc/75/44/04/583754404.db2.gz NHDZWXUJSGFAFI-LLVKDONJSA-N 1 0 334.398 -0.045 20 5 EBBDRO [NH3+]CCc1noc(CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000843130513 584071607 /nfs/dbraw/zinc/07/16/07/584071607.db2.gz CDAYPWRYFMGQPQ-UHFFFAOYSA-N 1 0 341.349 0.000 20 5 EBBDRO [NH3+]CCN(CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C[C@H](O)CO ZINC000852753931 584215496 /nfs/dbraw/zinc/21/54/96/584215496.db2.gz WDEWRUKHYRKERH-NSHDSACASA-N 1 0 344.343 -0.324 20 5 EBBDRO O=C(N[C@H]1CCC[N@H+](CCN2CCOCC2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000882637906 584592766 /nfs/dbraw/zinc/59/27/66/584592766.db2.gz ZRNXRSPODMWWMB-BFHYXJOUSA-N 1 0 326.397 -0.436 20 5 EBBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000340969589 650000122 /nfs/dbraw/zinc/00/01/22/650000122.db2.gz SRHFTRBKQCMMTP-LLVKDONJSA-N 1 0 338.368 -0.444 20 5 EBBDRO O=C(Cc1cnc[nH]1)N1C[C@@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@@H]2C1 ZINC000961551541 723036927 /nfs/dbraw/zinc/03/69/27/723036927.db2.gz PNJWOFXRSPMURI-LYIQGSDWSA-N 1 0 333.348 -0.466 20 5 EBBDRO O=C(N[C@@H]1[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000976479694 726323487 /nfs/dbraw/zinc/32/34/87/726323487.db2.gz ALIFOGGIPGVZIV-LBELIVKGSA-N 1 0 334.376 -0.680 20 5 EBBDRO CN(C)c1cc[nH+]cc1C(=O)NC1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000996497596 726405898 /nfs/dbraw/zinc/40/58/98/726405898.db2.gz IMPCUDFSZZTGRK-ZWNOBZJWSA-N 1 0 333.348 -0.247 20 5 EBBDRO CCn1nncc1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2c([N+](=O)[O-])ncn2C)C1 ZINC001022049969 729355282 /nfs/dbraw/zinc/35/52/82/729355282.db2.gz HIGOFSMCUUGPHB-AOOOYVTPSA-N 1 0 348.367 -0.010 20 5 EBBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1C[C@@H](NC(=O)Cc2nc[nH]n2)C1 ZINC001022953221 729561237 /nfs/dbraw/zinc/56/12/37/729561237.db2.gz KQNAIPKSNYYYBW-DTORHVGOSA-N 1 0 334.340 -0.574 20 5 EBBDRO C[NH+](C)CCCCC(=O)NCCN(CCO)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001057543624 737323789 /nfs/dbraw/zinc/32/37/89/737323789.db2.gz QCAIDFAWWWUFTF-CHWSQXEVSA-N 1 0 344.412 -0.679 20 5 EBBDRO C[NH+](C)CCC(=O)N1CC2(C1)CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CCO2 ZINC001068394905 740307364 /nfs/dbraw/zinc/30/73/64/740307364.db2.gz IDXRRUIBKDTEJW-VXGBXAGGSA-N 1 0 340.380 -0.957 20 5 EBBDRO CN(C(=O)C[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1)C1CC1 ZINC001072721434 741465618 /nfs/dbraw/zinc/46/56/18/741465618.db2.gz RNHJKLGFWNERQK-CHWSQXEVSA-N 1 0 336.392 -0.193 20 5 EBBDRO CN1CC[NH+](CC2CN(c3ncc([N+](=O)[O-])cc3C(N)=O)C2)CC1 ZINC001261791414 812984213 /nfs/dbraw/zinc/98/42/13/812984213.db2.gz PXILRNWTGLEEEW-UHFFFAOYSA-N 1 0 334.380 -0.228 20 5 EBBDRO CN(CC[NH2+]CCCNC(=O)C(F)(F)F)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001267371581 813863107 /nfs/dbraw/zinc/86/31/07/813863107.db2.gz MPCKSWVJHVYRIT-RKDXNWHRSA-N 1 0 340.302 -0.232 20 5 EBBDRO Cn1cc(C(=O)NC[C@H]2C[C@H]([NH2+]Cc3c([N+](=O)[O-])ncn3C)C2)nn1 ZINC001086354808 816305973 /nfs/dbraw/zinc/30/59/73/816305973.db2.gz ZHTHGYKIKXQXBV-MGCOHNPYSA-N 1 0 348.367 -0.245 20 5 EBBDRO O=C(NC[C@H]1C[C@H]([NH2+]Cc2ncnn2CCF)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001086363261 816307617 /nfs/dbraw/zinc/30/76/17/816307617.db2.gz KGUMXPDNJDSXIL-DDHJBXDOSA-N 1 0 340.359 -0.103 20 5 EBBDRO NC(=O)C(=O)NCC1([NH2+]Cc2ccccc2[N+](=O)[O-])CCOCC1 ZINC001278718767 817798109 /nfs/dbraw/zinc/79/81/09/817798109.db2.gz RSBNXSHFWFOTBH-UHFFFAOYSA-N 1 0 336.348 -0.165 20 5 EBBDRO NC(=O)C(=O)N1CCC(O)(C[NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001281627149 818237670 /nfs/dbraw/zinc/23/76/70/818237670.db2.gz NDXPDNPZVQQKPB-UHFFFAOYSA-N 1 0 336.348 -0.477 20 5 EBBDRO C[NH+](C)CCCC(=O)N[C@@H]1[C@H]2CN(c3ncc([N+](=O)[O-])c(N)n3)C[C@H]21 ZINC001097583411 819006408 /nfs/dbraw/zinc/00/64/08/819006408.db2.gz QEDFFMARINJVGW-IWIIMEHWSA-N 1 0 349.395 -0.140 20 5 EBBDRO Cc1cc([N+](=O)[O-])cc(C(=O)NCC[N@@H+](C)CCOCCO)n1 ZINC001303017173 821753659 /nfs/dbraw/zinc/75/36/59/821753659.db2.gz WIDJOGLQJWGMAC-UHFFFAOYSA-N 1 0 326.353 -0.031 20 5 EBBDRO O=[N+]([O-])c1cnn(C[C@@H](O)CN2CC[NH+](CCCCO)CC2)c1 ZINC001116345710 826614343 /nfs/dbraw/zinc/61/43/43/826614343.db2.gz FNNSLMURRBTFRJ-AWEZNQCLSA-N 1 0 327.385 -0.458 20 5 EBBDRO Cn1cc([N+](=O)[O-])c(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)n1 ZINC001116467737 826621524 /nfs/dbraw/zinc/62/15/24/826621524.db2.gz PJTGSXAOWLVYDD-JTQLQIEISA-N 1 0 338.368 -0.355 20 5 EBBDRO O=C(NC[C@H]1C[NH2+]CCCO1)C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001117984975 826835591 /nfs/dbraw/zinc/83/55/91/826835591.db2.gz DGDLNSBQAFXCHC-CQSZACIVSA-N 1 0 348.359 -0.068 20 5 EBBDRO Cn1cc(-c2cc(C[NH2+]CCNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])on2)cn1 ZINC001126936199 828233914 /nfs/dbraw/zinc/23/39/14/828233914.db2.gz ABCLCVGUWWROQA-DGCLKSJQSA-N 1 0 334.336 -0.054 20 5 EBBDRO O=C(CN1CCNC(=O)C1)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001132318346 829412184 /nfs/dbraw/zinc/41/21/84/829412184.db2.gz VZHDOFLJBFNFBM-UHFFFAOYSA-N 1 0 335.364 -0.768 20 5 EBBDRO O=C(CN1C(=O)CNC1=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001150331135 830864034 /nfs/dbraw/zinc/86/40/34/830864034.db2.gz GGJKLZKOGDEBDM-UHFFFAOYSA-N 1 0 335.320 -0.648 20 5 EBBDRO CCC(=O)NCC(=O)NCCC[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC001155802221 831430884 /nfs/dbraw/zinc/43/08/84/831430884.db2.gz ISEWOJBVJPPWHF-UHFFFAOYSA-N 1 0 326.357 -0.550 20 5 EBBDRO CCOC(=O)[C@H]1COCCN1c1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1 ZINC001157342560 831556199 /nfs/dbraw/zinc/55/61/99/831556199.db2.gz RJMAWKKZBASERZ-LLVKDONJSA-N 1 0 337.336 -0.160 20 5 EBBDRO CCCCn1nnnc1C[NH2+]CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157774996 831591759 /nfs/dbraw/zinc/59/17/59/831591759.db2.gz GIXALOVMPOOFTL-GHMZBOCLSA-N 1 0 325.373 -0.266 20 5 EBBDRO CN(C(=O)C[NH2+]CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1nccs1 ZINC001157774871 831592188 /nfs/dbraw/zinc/59/21/88/831592188.db2.gz DZLKSLGHHYUBGV-NXEZZACHSA-N 1 0 341.393 -0.133 20 5 EBBDRO O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)NC[C@H]1CCCC[N@H+]1CCO ZINC001158994451 831703302 /nfs/dbraw/zinc/70/33/02/831703302.db2.gz IBGFYROWRHZNFK-GFCCVEGCSA-N 1 0 338.364 -0.281 20 5 EBBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCCNC(=O)c1cn[nH]c(=O)c1 ZINC001160499245 831856651 /nfs/dbraw/zinc/85/66/51/831856651.db2.gz ALWNYXQNBOMIIR-UHFFFAOYSA-N 1 0 335.324 -0.266 20 5 EBBDRO Nc1c2c(cc[nH]c2=O)nn1-c1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1 ZINC001162313967 832033101 /nfs/dbraw/zinc/03/31/01/832033101.db2.gz TZYUWZIGDYSMOU-UHFFFAOYSA-N 1 0 328.292 -0.367 20 5 EBBDRO C[NH+](C)C[C@]1(O)CCN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1 ZINC001163947338 832164185 /nfs/dbraw/zinc/16/41/85/832164185.db2.gz SQSWDOVSOILINQ-CYBMUJFWSA-N 1 0 344.393 -0.255 20 5 EBBDRO C[NH+](C)C[C@@]1(O)CCN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1 ZINC001163947340 832164264 /nfs/dbraw/zinc/16/42/64/832164264.db2.gz SQSWDOVSOILINQ-ZDUSSCGKSA-N 1 0 344.393 -0.255 20 5 EBBDRO COc1nc(N2CCCO[C@@]3(C[NH2+]CCOC3)C2)ncc1[N+](=O)[O-] ZINC001165340912 832216603 /nfs/dbraw/zinc/21/66/03/832216603.db2.gz YFHHVALOCZXFRE-AWEZNQCLSA-N 1 0 339.352 -0.021 20 5 EBBDRO O=C1COCC2(CCN(c3ncc([N+](=O)[O-])c(C4C[NH2+]C4)n3)CC2)N1 ZINC001165349848 832216955 /nfs/dbraw/zinc/21/69/55/832216955.db2.gz WGCDKSRESCHZQJ-UHFFFAOYSA-N 1 0 348.363 -0.443 20 5 EBBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCCNC(=O)c1cn(C)c(=O)[nH]1 ZINC001165837609 832239635 /nfs/dbraw/zinc/23/96/35/832239635.db2.gz LSYWIDRROWSHBQ-UHFFFAOYSA-N 1 0 337.340 -0.323 20 5 EBBDRO COC(=O)c1ncc(=O)[nH]c1Nc1ncnc(C2C[NH2+]C2)c1[N+](=O)[O-] ZINC001170483245 832509076 /nfs/dbraw/zinc/50/90/76/832509076.db2.gz SJEGLYUWIVXVSK-UHFFFAOYSA-N 1 0 347.291 -0.315 20 5 EBBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]C(CO)(CO)CO)c1F ZINC001173176379 832583725 /nfs/dbraw/zinc/58/37/25/832583725.db2.gz GWSFWDVMOOEXFJ-VIFPVBQESA-N 1 0 332.328 -0.021 20 5 EBBDRO CNC(=O)NC[C@@H]1CCCC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001175361371 832622379 /nfs/dbraw/zinc/62/23/79/832622379.db2.gz HPKPDNIVMZJYQK-WCQYABFASA-N 1 0 340.384 -0.064 20 5 EBBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCCNC(=O)c1ccc(=O)n(C)n1 ZINC001175409914 832624645 /nfs/dbraw/zinc/62/46/45/832624645.db2.gz ZGBXMDIKGMCDSK-UHFFFAOYSA-N 1 0 349.351 -0.668 20 5 EBBDRO COCCCNC(=O)C[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001200462312 835971188 /nfs/dbraw/zinc/97/11/88/835971188.db2.gz WNOHTLBCZPLPPD-CHWSQXEVSA-N 1 0 342.396 -0.615 20 5 EBBDRO C[N@@H+]1CCN(CCNC(=O)Cn2cnc([N+](=O)[O-])n2)CC1(C)C ZINC001321354382 838968934 /nfs/dbraw/zinc/96/89/34/838968934.db2.gz DWTNIKOMBXFZQF-UHFFFAOYSA-N 1 0 325.373 -0.672 20 5 EBBDRO CS(=O)(=O)CC1(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC001326156614 840052314 /nfs/dbraw/zinc/05/23/14/840052314.db2.gz RDYDVVZIGOMQBL-NSHDSACASA-N 1 0 332.382 -0.433 20 5 EBBDRO O=C1NC(=O)[C@@]2(CCC[N@@H+](CCn3cc([N+](=O)[O-])ccc3=O)C2)N1 ZINC001326721888 840185597 /nfs/dbraw/zinc/18/55/97/840185597.db2.gz XFZVZEJNUGDGPG-AWEZNQCLSA-N 1 0 335.320 -0.570 20 5 EBBDRO O=C1NCC2(CC[NH+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)O1 ZINC001335646369 842324290 /nfs/dbraw/zinc/32/42/90/842324290.db2.gz VWZBXCBCTNASNR-LLVKDONJSA-N 1 0 325.325 -0.273 20 5 EBBDRO CN(CCC[NH3+])C(=O)C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC001347160157 843596721 /nfs/dbraw/zinc/59/67/21/843596721.db2.gz NJACIOYURSEPPD-UHFFFAOYSA-N 1 0 336.348 -0.008 20 5 EBBDRO C[NH+](C)CCCC(=O)N1CCN(c2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC001093194521 1128303769 /nfs/dbraw/zinc/30/37/69/1128303769.db2.gz PAVRHKVNUJIHOG-UHFFFAOYSA-N 1 0 337.384 -0.043 20 5 EBBDRO CNC(=O)NC(=O)C[N@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC1 ZINC001490372556 1129168125 /nfs/dbraw/zinc/16/81/25/1129168125.db2.gz SFQNBWQXMBRMGV-GHMZBOCLSA-N 1 0 341.368 -0.922 20 5 EBBDRO COc1cc(C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000577652028 375891808 /nfs/dbraw/zinc/89/18/08/375891808.db2.gz ZBVFNLAOLVOFHN-GHMZBOCLSA-N 1 0 334.332 -0.013 20 5 EBBDRO COc1cc(C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000577652029 375892038 /nfs/dbraw/zinc/89/20/38/375892038.db2.gz ZBVFNLAOLVOFHN-MNOVXSKESA-N 1 0 334.332 -0.013 20 5 EBBDRO C[NH+](C)CCCNC(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000339229564 376646155 /nfs/dbraw/zinc/64/61/55/376646155.db2.gz OSYAYZDNLXDBDX-UHFFFAOYSA-N 1 0 330.366 -0.076 20 5 EBBDRO CN(C(=O)CN1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000570412252 377244026 /nfs/dbraw/zinc/24/40/26/377244026.db2.gz WYXCQIMHNMPNKT-KBPBESRZSA-N 1 0 347.375 -0.199 20 5 EBBDRO O=C(CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)N1CC[NH2+]CC1 ZINC000563119574 377391465 /nfs/dbraw/zinc/39/14/65/377391465.db2.gz OGZHLZYQYLUXMG-UHFFFAOYSA-N 1 0 342.377 -0.554 20 5 EBBDRO CS(=O)(=O)N1CCC[C@@H]1C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000566063770 377467405 /nfs/dbraw/zinc/46/74/05/377467405.db2.gz LSMZYHUGNUUEMW-PWSUYJOCSA-N 1 0 347.397 -0.834 20 5 EBBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@H](CO)C[NH+](C)C ZINC000590369798 377478337 /nfs/dbraw/zinc/47/83/37/377478337.db2.gz NLWVCGXYHSIBHK-QWRGUYRKSA-N 1 0 342.400 -0.134 20 5 EBBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@@H](N3CCOCC3)C2)c1 ZINC000566425561 377532124 /nfs/dbraw/zinc/53/21/24/377532124.db2.gz FBXSHMAHKCPAHA-UKRRQHHQSA-N 1 0 339.396 -0.051 20 5 EBBDRO O=C(C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])N1CCOCC1 ZINC000591758652 377752778 /nfs/dbraw/zinc/75/27/78/377752778.db2.gz GWZKFCIPQDMYIB-LBPRGKRZSA-N 1 0 339.348 -0.217 20 5 EBBDRO NS(=O)(=O)c1c([N+](=O)[O-])cccc1N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000594603723 377944525 /nfs/dbraw/zinc/94/45/25/377944525.db2.gz MEDPJJLNWZSHNV-VHSXEESVSA-N 1 0 342.377 -0.503 20 5 EBBDRO CCCc1n[nH]c(C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)c1[N+](=O)[O-] ZINC000594878993 377966052 /nfs/dbraw/zinc/96/60/52/377966052.db2.gz QSMGQWVTEGRUQV-BDAKNGLRSA-N 1 0 336.352 -0.346 20 5 EBBDRO CCOC(=O)c1ccnc(N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)c1[N+](=O)[O-] ZINC000567179467 377988300 /nfs/dbraw/zinc/98/83/00/377988300.db2.gz GTIRWMBEJRKNFV-KOLCDFICSA-N 1 0 349.347 -0.085 20 5 EBBDRO NS(=O)(=O)c1ccc(N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)cc1[N+](=O)[O-] ZINC000596299193 378058931 /nfs/dbraw/zinc/05/89/31/378058931.db2.gz PCHZCAWGSMPOIS-WDEREUQCSA-N 1 0 342.377 -0.503 20 5 EBBDRO Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCCC[NH+]2CCC(O)CC2)n1 ZINC000599237802 378211909 /nfs/dbraw/zinc/21/19/09/378211909.db2.gz GCEHYSZJTGDCBD-UHFFFAOYSA-N 1 0 347.397 -0.547 20 5 EBBDRO CC[C@@H](CO)N1CCN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CC1 ZINC000599250831 378213355 /nfs/dbraw/zinc/21/33/55/378213355.db2.gz RJSANTIWDRKIJC-JTQLQIEISA-N 1 0 347.397 -0.595 20 5 EBBDRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000598187673 378159917 /nfs/dbraw/zinc/15/99/17/378159917.db2.gz RHCPARNRILYGHD-UHFFFAOYSA-N 1 0 326.357 -0.730 20 5 EBBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H]2CCCN(CCCO)C2)c1 ZINC000567899326 378272125 /nfs/dbraw/zinc/27/21/25/378272125.db2.gz YBJIGLKSJUUXHC-GXTWGEPZSA-N 1 0 327.385 -0.411 20 5 EBBDRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000341848598 378375230 /nfs/dbraw/zinc/37/52/30/378375230.db2.gz BHQGQIKOUCXHRS-NSHDSACASA-N 1 0 338.368 -0.505 20 5 EBBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]C[C@@H](O)Cn2ccnn2)c1 ZINC000571523992 378553467 /nfs/dbraw/zinc/55/34/67/378553467.db2.gz PLWCBGNXYRXFMC-OLZOCXBDSA-N 1 0 337.336 -0.423 20 5 EBBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000572586975 378855390 /nfs/dbraw/zinc/85/53/90/378855390.db2.gz AXEAPTASHHKRDH-LLVKDONJSA-N 1 0 336.348 -0.042 20 5 EBBDRO C[C@H](C[NH3+])NC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000417306279 379325875 /nfs/dbraw/zinc/32/58/75/379325875.db2.gz CFVCANMKPUPKCV-SECBINFHSA-N 1 0 345.381 -0.481 20 5 EBBDRO CN(C(=O)C(=O)NCCc1cccc([N+](=O)[O-])c1)[C@H]1C[NH2+]C[C@@H]1O ZINC000418872059 379335801 /nfs/dbraw/zinc/33/58/01/379335801.db2.gz ROAMZOVNLBWITB-STQMWFEESA-N 1 0 336.348 -0.955 20 5 EBBDRO [NH3+]CCN(CCO)C(=O)C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000419165280 379338715 /nfs/dbraw/zinc/33/87/15/379338715.db2.gz NGCHAIHJFZZLPG-UHFFFAOYSA-N 1 0 344.755 -0.356 20 5 EBBDRO C[NH+](C)CC(=O)N1CCN(C(=O)c2cc([N+](=O)[O-])cnc2N)CC1 ZINC000349869283 379380939 /nfs/dbraw/zinc/38/09/39/379380939.db2.gz GCGQMONRUFPISR-UHFFFAOYSA-N 1 0 336.352 -0.582 20 5 EBBDRO CN1CCOC[C@@H]1CNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000600423408 379648886 /nfs/dbraw/zinc/64/88/86/379648886.db2.gz AMXFWKKRZMLESU-ZDUSSCGKSA-N 1 0 336.348 -0.229 20 5 EBBDRO CN1CCOC[C@H]1CNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000600423406 379649019 /nfs/dbraw/zinc/64/90/19/379649019.db2.gz AMXFWKKRZMLESU-CYBMUJFWSA-N 1 0 336.348 -0.229 20 5 EBBDRO COCC[NH+]1CCC(NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000354477126 379708799 /nfs/dbraw/zinc/70/87/99/379708799.db2.gz JQXPVFKXKCWKMC-UHFFFAOYSA-N 1 0 338.364 -0.017 20 5 EBBDRO CCOC(=O)C1(O)CC[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000348540454 379810524 /nfs/dbraw/zinc/81/05/24/379810524.db2.gz WGAFJNBOLJITIR-LBPRGKRZSA-N 1 0 342.352 -0.458 20 5 EBBDRO [NH3+][C@H]1C[C@H]2CN(CC(=O)Nc3ccccc3[N+](=O)[O-])CCN2C1=O ZINC000574292619 379949430 /nfs/dbraw/zinc/94/94/30/379949430.db2.gz PAZJAXHZNKTHDE-QWRGUYRKSA-N 1 0 333.348 -0.223 20 5 EBBDRO CN1CCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000124994685 379961472 /nfs/dbraw/zinc/96/14/72/379961472.db2.gz HWVLVBIORFWNHM-SECBINFHSA-N 1 0 332.357 -0.003 20 5 EBBDRO CC[C@H]([NH3+])C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000269063513 380213572 /nfs/dbraw/zinc/21/35/72/380213572.db2.gz YDHWAMNLTPTCGE-NSHDSACASA-N 1 0 330.366 -0.273 20 5 EBBDRO O=C(C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)N1CCOCC1 ZINC000574804262 380969828 /nfs/dbraw/zinc/96/98/28/380969828.db2.gz WBIPKIWWJIGCIP-CYBMUJFWSA-N 1 0 339.348 -0.217 20 5 EBBDRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000619254522 381167167 /nfs/dbraw/zinc/16/71/67/381167167.db2.gz LTGCQYQRNWZLML-HNNXBMFYSA-N 1 0 338.364 -0.328 20 5 EBBDRO C[NH+](C)C[C@]1(O)CCCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000619254523 381166296 /nfs/dbraw/zinc/16/62/96/381166296.db2.gz LTGCQYQRNWZLML-OAHLLOKOSA-N 1 0 338.364 -0.328 20 5 EBBDRO C[C@H](O)C[N@@H+]1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C[C@@H]1C ZINC000246753972 154182931 /nfs/dbraw/zinc/18/29/31/154182931.db2.gz OANFBAYPHDUFCY-RYUDHWBXSA-N 1 0 338.364 -0.330 20 5 EBBDRO C[NH2+]CC(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000262394557 154227780 /nfs/dbraw/zinc/22/77/80/154227780.db2.gz OQBYOAZFSRASHN-UHFFFAOYSA-N 1 0 342.377 -0.353 20 5 EBBDRO O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N[C@H]1CC[NH2+]C1 ZINC000262503419 154235313 /nfs/dbraw/zinc/23/53/13/154235313.db2.gz DTIIASVBTUCKJA-JTQLQIEISA-N 1 0 342.377 -0.259 20 5 EBBDRO C[NH2+]CCNC(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000262542447 154237120 /nfs/dbraw/zinc/23/71/20/154237120.db2.gz WOGYXVOQNBGTBP-UHFFFAOYSA-N 1 0 345.381 -0.620 20 5 EBBDRO C[NH2+]CCN(C)C(=O)c1cc(S(N)(=O)=O)cc([N+](=O)[O-])c1C ZINC000263276424 154255990 /nfs/dbraw/zinc/25/59/90/154255990.db2.gz YMYQQIHRBLTAIG-UHFFFAOYSA-N 1 0 330.366 -0.158 20 5 EBBDRO C[NH+](C)C[C@](C)(O)CNc1ccc([N+](=O)[O-])cc1S(N)(=O)=O ZINC000269891470 154471815 /nfs/dbraw/zinc/47/18/15/154471815.db2.gz RHLAGCLXKVCLAJ-GFCCVEGCSA-N 1 0 332.382 -0.033 20 5 EBBDRO CCn1cc(S(=O)(=O)NCC[N@H+](CC)CCO)c([N+](=O)[O-])n1 ZINC000345928951 156371327 /nfs/dbraw/zinc/37/13/27/156371327.db2.gz AMPYEMHMHCUALZ-UHFFFAOYSA-N 1 0 335.386 -0.596 20 5 EBBDRO [NH3+]C[C@H]1CN(CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)CCO1 ZINC000358114370 157212733 /nfs/dbraw/zinc/21/27/33/157212733.db2.gz DUSHSEDKTZJRAS-VIFPVBQESA-N 1 0 338.320 -0.079 20 5 EBBDRO CN(CCC[NH3+])C(=O)C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000514799932 419061564 /nfs/dbraw/zinc/06/15/64/419061564.db2.gz YCMSBFGBSOQBQG-UHFFFAOYSA-N 1 0 334.336 -0.106 20 5 EBBDRO CN1CCO[C@H](C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)C1 ZINC000296994943 419966349 /nfs/dbraw/zinc/96/63/49/419966349.db2.gz QMUMMNFZLMZCEF-ZDUSSCGKSA-N 1 0 335.364 -0.031 20 5 EBBDRO CN1CC[C@H]([NH+]2CCC(NC(=O)c3cc([N+](=O)[O-])n[nH]3)CC2)C1=O ZINC000425305271 265092038 /nfs/dbraw/zinc/09/20/38/265092038.db2.gz HVSJRBMKTVLRIT-NSHDSACASA-N 1 0 336.352 -0.257 20 5 EBBDRO C[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCN(CCO)CC1 ZINC000438718148 265259298 /nfs/dbraw/zinc/25/92/98/265259298.db2.gz WOLTUCLAMSTNJE-CQSZACIVSA-N 1 0 327.385 -0.459 20 5 EBBDRO CCn1cc(S(=O)(=O)N2CC[C@@H](OC)C[C@H]2C[NH3+])c([N+](=O)[O-])n1 ZINC000440851568 265297210 /nfs/dbraw/zinc/29/72/10/265297210.db2.gz VSBBRCCNCQRZLW-VHSXEESVSA-N 1 0 347.397 -0.062 20 5 EBBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000449696161 265394002 /nfs/dbraw/zinc/39/40/02/265394002.db2.gz JRUFPOCMBOCANE-FZMZJTMJSA-N 1 0 349.391 -0.267 20 5 EBBDRO CCOC(=O)N1CC[C@@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000496253010 272876806 /nfs/dbraw/zinc/87/68/06/272876806.db2.gz IGLPDUBQQNUVGI-PWSUYJOCSA-N 1 0 327.341 -0.027 20 5 EBBDRO C[C@@H](C[NH3+])NC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000347689448 274216160 /nfs/dbraw/zinc/21/61/60/274216160.db2.gz RVXSWTIMGCOOCO-VIFPVBQESA-N 1 0 330.366 -0.273 20 5 EBBDRO O=C(NC[C@@H]1C[NH2+]CCO1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000517358434 545770583 /nfs/dbraw/zinc/77/05/83/545770583.db2.gz AGPZXBLZKSPXFY-NSHDSACASA-N 1 0 332.320 -0.106 20 5 EBBDRO COC(=O)C[C@@]1([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCCOC1 ZINC000770711397 583341133 /nfs/dbraw/zinc/34/11/33/583341133.db2.gz VCAQMPZZTGXCPG-JSGCOSHPSA-N 1 0 342.352 -0.146 20 5 EBBDRO COC(=O)N1CCC[C@@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000819003305 583753792 /nfs/dbraw/zinc/75/37/92/583753792.db2.gz OFSRTHPXAFCFOM-PWSUYJOCSA-N 1 0 327.341 -0.027 20 5 EBBDRO NC(=O)C1=NO[C@@H](C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000819250591 583756389 /nfs/dbraw/zinc/75/63/89/583756389.db2.gz BRNDAMUIKSZXLS-ZYHUDNBSSA-N 1 0 338.320 -0.446 20 5 EBBDRO NC(=O)C1=NO[C@@H](C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000819250594 583756684 /nfs/dbraw/zinc/75/66/84/583756684.db2.gz BSPTYYRFRIDTDJ-VHSXEESVSA-N 1 0 338.320 -0.446 20 5 EBBDRO [NH3+]CCN(CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])C[C@H](O)CO ZINC000852754291 584215583 /nfs/dbraw/zinc/21/55/83/584215583.db2.gz SHKAXJYVCIVFAH-JTQLQIEISA-N 1 0 346.771 -0.199 20 5 EBBDRO C[C@@H]([NH3+])CN(C)C(=O)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000863764368 584377475 /nfs/dbraw/zinc/37/74/75/584377475.db2.gz CCYDINVATCIJGB-SNVBAGLBSA-N 1 0 338.368 -0.240 20 5 EBBDRO Cn1cc(N2CC[NH+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)cn1 ZINC000074798733 584667159 /nfs/dbraw/zinc/66/71/59/584667159.db2.gz XRJPPSVSKNTTKH-AWEZNQCLSA-N 1 0 335.368 -0.292 20 5 EBBDRO COc1nc(N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)nc(OC)c1[N+](=O)[O-] ZINC001164668439 719392549 /nfs/dbraw/zinc/39/25/49/719392549.db2.gz RMRYWSZNSXYWOB-IUCAKERBSA-N 1 0 325.325 -0.079 20 5 EBBDRO O=C(C[NH2+]C1CC2(CC(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1)N1CCC1 ZINC000963787631 723486301 /nfs/dbraw/zinc/48/63/01/723486301.db2.gz KBGGZXFIPFMEON-FIRKGOOJSA-N 1 0 336.392 -0.099 20 5 EBBDRO Cn1nnnc1C[NH2+]C1CC2(CC(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 ZINC000963787531 723486362 /nfs/dbraw/zinc/48/63/62/723486362.db2.gz JFDGZJJFLSICPW-GLVIPLPLSA-N 1 0 335.368 -0.608 20 5 EBBDRO C[NH+]1CCC(C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C[C@H]32)CC1 ZINC000976770144 726413183 /nfs/dbraw/zinc/41/31/83/726413183.db2.gz UQKGYFDOVWWFRT-RGDJUOJXSA-N 1 0 336.392 -0.434 20 5 EBBDRO Cn1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1=O ZINC001025775248 730086224 /nfs/dbraw/zinc/08/62/24/730086224.db2.gz HXEHSVAJIZGWBU-VVSAWPALSA-N 1 0 332.360 -0.403 20 5 EBBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](OCC(=O)N1CC([N+](=O)[O-])([N+](=O)[O-])C1)C2 ZINC001224796752 811776693 /nfs/dbraw/zinc/77/66/93/811776693.db2.gz KWLRHGMVJJBARY-URLYPYJESA-N 1 0 328.325 -0.280 20 5 EBBDRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NCc2cccc([N+](=O)[O-])c2)CCO1 ZINC001261379474 812900118 /nfs/dbraw/zinc/90/01/18/812900118.db2.gz DERNSSRNHBFLSW-MFKMUULPSA-N 1 0 336.348 -0.214 20 5 EBBDRO CN(CC[NH2+]CC(=O)NCc1cccnc1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001267370632 813862956 /nfs/dbraw/zinc/86/29/56/813862956.db2.gz CARNBRAHNUSTIY-CHWSQXEVSA-N 1 0 335.364 -0.589 20 5 EBBDRO O=C(NC[C@H]1C[C@@H]([NH2+]Cc2ncnn2CCF)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001086082995 816224783 /nfs/dbraw/zinc/22/47/83/816224783.db2.gz KGUMXPDNJDSXIL-WRWGMCAJSA-N 1 0 340.359 -0.103 20 5 EBBDRO CN(CCC[NH2+]CC(=O)Nc1cnccn1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001276002302 817336781 /nfs/dbraw/zinc/33/67/81/817336781.db2.gz PFLLFMCPSDGGIQ-GHMZBOCLSA-N 1 0 336.352 -0.482 20 5 EBBDRO Cn1nncc1C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCOCC1 ZINC001278707983 817797215 /nfs/dbraw/zinc/79/72/15/817797215.db2.gz YCSYJFRPTKHCLG-VXGBXAGGSA-N 1 0 338.368 -0.765 20 5 EBBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCN(CCO)C(=O)c1ncccn1 ZINC001279867542 817996183 /nfs/dbraw/zinc/99/61/83/817996183.db2.gz CDDNPYYHVDXGCS-UHFFFAOYSA-N 1 0 349.351 -0.657 20 5 EBBDRO CC(C)[N@H+](C)CC(=O)NCCN(C)c1ncc([N+](=O)[O-])c(N)n1 ZINC001100149905 820298585 /nfs/dbraw/zinc/29/85/85/820298585.db2.gz VDBDPFUHHUNDBH-UHFFFAOYSA-N 1 0 325.373 -0.140 20 5 EBBDRO C[C@]12C[NH+](CCn3cc([N+](=O)[O-])ccc3=O)C[C@]1(C)C(=O)NC2=O ZINC001307993165 821773481 /nfs/dbraw/zinc/77/34/81/821773481.db2.gz GCVUSQLGOJBSNM-HUUCEWRRSA-N 1 0 334.332 -0.259 20 5 EBBDRO O=C(Cn1cc(Br)c(=O)c([N+](=O)[O-])c1)N1CC[NH2+]CC1 ZINC001118136465 826857468 /nfs/dbraw/zinc/85/74/68/826857468.db2.gz YFOOCDZPKDSBDT-UHFFFAOYSA-N 1 0 345.153 -0.049 20 5 EBBDRO O=C(Cn1cnc([N+](=O)[O-])n1)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC001118759131 826996728 /nfs/dbraw/zinc/99/67/28/826996728.db2.gz JYDHAXVZASNQMV-LBPRGKRZSA-N 1 0 338.368 -0.100 20 5 EBBDRO O=C(C[NH2+]CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])NCc1ccccc1F ZINC001126942749 828234826 /nfs/dbraw/zinc/23/48/26/828234826.db2.gz GOOKBLOCEAQFET-DGCLKSJQSA-N 1 0 338.339 -0.187 20 5 EBBDRO Cc1ccc(CNC(=O)C[NH2+]CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC001126942746 828235246 /nfs/dbraw/zinc/23/52/46/828235246.db2.gz GLLZOLCQIOHMQW-ZIAGYGMSSA-N 1 0 334.376 -0.018 20 5 EBBDRO O=C(CN1CCNC(=O)C1)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001132317379 829410620 /nfs/dbraw/zinc/41/06/20/829410620.db2.gz FHMAUNNXOOCOKU-UHFFFAOYSA-N 1 0 335.364 -0.768 20 5 EBBDRO O=C(CN1CC(=O)NC1=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001135441049 829966853 /nfs/dbraw/zinc/96/68/53/829966853.db2.gz YOVJDCFRSWWGPE-UHFFFAOYSA-N 1 0 335.320 -0.648 20 5 EBBDRO O=C(CCn1cnnn1)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001135684086 830006584 /nfs/dbraw/zinc/00/65/84/830006584.db2.gz AUWUFCJGPIQQGM-UHFFFAOYSA-N 1 0 325.354 -0.061 20 5 EBBDRO Cn1cnc([N+](=O)[O-])c1CNCCNC(=O)COCC[NH+](C)C ZINC001147841812 830419268 /nfs/dbraw/zinc/41/92/68/830419268.db2.gz IUQNUVPOXPNBSH-UHFFFAOYSA-N 1 0 328.373 -0.888 20 5 EBBDRO CNS(=O)(=O)CC(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001151373485 831065496 /nfs/dbraw/zinc/06/54/96/831065496.db2.gz PIRZTHBGGFRSKZ-UHFFFAOYSA-N 1 0 330.366 -0.650 20 5 EBBDRO CN1CCO[C@H](CNc2ncnc(N3CC[NH2+]CC3)c2[N+](=O)[O-])C1 ZINC001155193334 831390425 /nfs/dbraw/zinc/39/04/25/831390425.db2.gz DZILSFTYMYKEDG-LLVKDONJSA-N 1 0 337.384 -0.463 20 5 EBBDRO Cc1c(C(=O)NCCC[NH2+]Cc2c([N+](=O)[O-])ncn2C)nnn1C ZINC001156107181 831454404 /nfs/dbraw/zinc/45/44/04/831454404.db2.gz NVOJCFVNPILSER-UHFFFAOYSA-N 1 0 336.356 -0.325 20 5 EBBDRO O=c1[nH][nH]cc1CCCNc1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001156278747 831466252 /nfs/dbraw/zinc/46/62/52/831466252.db2.gz QGNQKHBJXWFDPS-JTQLQIEISA-N 1 0 348.367 -0.282 20 5 EBBDRO O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)N1CC([NH2+][C@@H]2CCOC2)C1 ZINC001157006404 831524288 /nfs/dbraw/zinc/52/42/88/831524288.db2.gz MIGCBTGVCIONRQ-GFCCVEGCSA-N 1 0 348.359 -0.086 20 5 EBBDRO Cn1c(=O)cc(Nc2ncnc(N3CC[NH2+]CC3)c2[N+](=O)[O-])[nH]c1=O ZINC001159003726 831702708 /nfs/dbraw/zinc/70/27/08/831702708.db2.gz HNTZDZLHUQEWDR-UHFFFAOYSA-N 1 0 348.323 -0.663 20 5 EBBDRO COc1nc(NCCN(CC[NH3+])N(O)N=O)nc(OC)c1[N+](=O)[O-] ZINC001161092564 831923249 /nfs/dbraw/zinc/92/32/49/831923249.db2.gz UZGXTHINFCXCDH-UHFFFAOYSA-N 1 0 346.304 -0.638 20 5 EBBDRO Cn1cnn(CC(=O)NCCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)c1=O ZINC001161461191 831960579 /nfs/dbraw/zinc/96/05/79/831960579.db2.gz HASCMVRUYHDEBG-UHFFFAOYSA-N 1 0 348.363 -0.214 20 5 EBBDRO NC(=O)C[NH2+]CCN(CCc1ccccc1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001162810612 832064180 /nfs/dbraw/zinc/06/41/80/832064180.db2.gz NNHQDUHWRIIQLD-ZIAGYGMSSA-N 1 0 334.376 -0.202 20 5 EBBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCCNC(=O)c1cn(C)c(=O)cn1 ZINC001162866674 832067882 /nfs/dbraw/zinc/06/78/82/832067882.db2.gz FDGHOQANFXVSPQ-UHFFFAOYSA-N 1 0 349.351 -0.668 20 5 EBBDRO O=C(CN1CCNC(=O)C1)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001163875055 832146957 /nfs/dbraw/zinc/14/69/57/832146957.db2.gz ZEACRUFIMJJZRA-UHFFFAOYSA-N 1 0 349.391 -0.378 20 5 EBBDRO CS(=O)(=O)CCC[NH2+]CC1(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001164494552 832191579 /nfs/dbraw/zinc/19/15/79/832191579.db2.gz LTZUKGLXFCEMCE-VXGBXAGGSA-N 1 0 347.437 -0.038 20 5 EBBDRO COC(=O)[C@@H]1C[NH2+]CCN1c1nc(NC(C)=O)nc(C)c1[N+](=O)[O-] ZINC001165441571 832219884 /nfs/dbraw/zinc/21/98/84/832219884.db2.gz DHKFBLSIIICUBK-VIFPVBQESA-N 1 0 338.324 -0.397 20 5 EBBDRO COC(=O)[C@@H]1C[C@@H]([NH3+])CN1c1nc(OC)c([N+](=O)[O-])c(OC)n1 ZINC001166962980 832303902 /nfs/dbraw/zinc/30/39/02/832303902.db2.gz BWDQIJQXMKNIDD-RQJHMYQMSA-N 1 0 327.297 -0.519 20 5 EBBDRO COc1nc(N(C2C[NH2+]C2)S(C)(=O)=O)nc(OC)c1[N+](=O)[O-] ZINC001166968040 832304905 /nfs/dbraw/zinc/30/49/05/832304905.db2.gz GZRIAHJPJUFVOR-UHFFFAOYSA-N 1 0 333.326 -0.860 20 5 EBBDRO C[C@@H]1C(=O)N(C)CCN1c1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001167034419 832306962 /nfs/dbraw/zinc/30/69/62/832306962.db2.gz FSFYPMFBELECTH-SNVBAGLBSA-N 1 0 335.368 -0.539 20 5 EBBDRO N=c1cc(C[NH3+])ccn1-c1ncnc(N2CCOCC2)c1[N+](=O)[O-] ZINC001167693074 832364077 /nfs/dbraw/zinc/36/40/77/832364077.db2.gz WCFCDLWQWYAXAN-UHFFFAOYSA-N 1 0 331.336 -0.050 20 5 EBBDRO CNC(=O)C1(C(=O)NCCC[NH2+]Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC001168268878 832409126 /nfs/dbraw/zinc/40/91/26/832409126.db2.gz DKYZBNAWRFQWPO-UHFFFAOYSA-N 1 0 338.368 -0.550 20 5 EBBDRO CS(=O)(=O)N1CCN(CC[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168976563 832442395 /nfs/dbraw/zinc/44/23/95/832442395.db2.gz DQTJELSZUYZDSP-CHWSQXEVSA-N 1 0 334.442 -0.401 20 5 EBBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCCNC(=O)Cn1ccccc1=O ZINC001175745278 832643328 /nfs/dbraw/zinc/64/33/28/832643328.db2.gz RSENFYGYGOFQKD-UHFFFAOYSA-N 1 0 348.363 -0.214 20 5 EBBDRO C[N@H+](CCNC(=O)c1[nH]nc([N+](=O)[O-])c1Cl)CCOCCO ZINC001175823434 832646870 /nfs/dbraw/zinc/64/68/70/832646870.db2.gz WGIRCZHLKVAVCG-UHFFFAOYSA-N 1 0 335.748 -0.358 20 5 EBBDRO Cn1nnnc1C[NH2+]CCCCCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001178458695 832868561 /nfs/dbraw/zinc/86/85/61/832868561.db2.gz SPFACSWTUCCIGC-GHMZBOCLSA-N 1 0 325.373 -0.359 20 5 EBBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@H](CNS(N)(=O)=O)C1 ZINC001190700253 834320761 /nfs/dbraw/zinc/32/07/61/834320761.db2.gz WGNAZXKOWDQOMK-LLVKDONJSA-N 1 0 346.413 -0.395 20 5 EBBDRO CN(CC[N@H+](C)C1CC1)C(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC001323616887 839485292 /nfs/dbraw/zinc/48/52/92/839485292.db2.gz QAPLMAGFVQPOIE-UHFFFAOYSA-N 1 0 338.368 -0.540 20 5 EBBDRO CS(=O)(=O)CC1(CC[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC001329963087 841076675 /nfs/dbraw/zinc/07/66/75/841076675.db2.gz DBQOFEJRUMJGKR-LBPRGKRZSA-N 1 0 346.409 -0.043 20 5 EBBDRO CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC001330023961 841097020 /nfs/dbraw/zinc/09/70/20/841097020.db2.gz KVDPYIIQEFTYMA-GFCCVEGCSA-N 1 0 338.368 -0.636 20 5 EBBDRO O=c1[n-]nc([C@@H]2CCC[N@@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)o1 ZINC000283915203 376247874 /nfs/dbraw/zinc/24/78/74/376247874.db2.gz GECSOSXSIUUNNH-KOLCDFICSA-N 1 0 338.324 -0.292 20 5 EBBDRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000408074881 376304486 /nfs/dbraw/zinc/30/44/86/376304486.db2.gz SBELQWGJZPHJSY-LLVKDONJSA-N 1 0 336.352 -0.304 20 5 EBBDRO C[NH+](C)C[C@@](C)(O)CNc1cccc([N+](=O)[O-])c1S(N)(=O)=O ZINC000611032059 376413293 /nfs/dbraw/zinc/41/32/93/376413293.db2.gz LQQGCWSDTFKTSK-LBPRGKRZSA-N 1 0 332.382 -0.033 20 5 EBBDRO CNS(=O)(=O)[C@@H]1CCC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000363349731 376798985 /nfs/dbraw/zinc/79/89/85/376798985.db2.gz RLURLSNOWWVBIW-NWDGAFQWSA-N 1 0 347.397 -0.834 20 5 EBBDRO CNS(=O)(=O)[C@H]1CCC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000363349732 376799450 /nfs/dbraw/zinc/79/94/50/376799450.db2.gz RLURLSNOWWVBIW-RYUDHWBXSA-N 1 0 347.397 -0.834 20 5 EBBDRO CC[C@H](CNS(C)(=O)=O)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000570794722 377281195 /nfs/dbraw/zinc/28/11/95/377281195.db2.gz FVYJDXMZHDPGDZ-KOLCDFICSA-N 1 0 335.386 -0.930 20 5 EBBDRO O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])NC1CC[NH2+]CC1 ZINC000563146312 377431140 /nfs/dbraw/zinc/43/11/40/377431140.db2.gz SSEYFOUDABDTAU-UHFFFAOYSA-N 1 0 342.377 -0.259 20 5 EBBDRO C[NH+](C)C[C@H](CO)NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000590548362 377634364 /nfs/dbraw/zinc/63/43/64/377634364.db2.gz AVACOWRJJBTTQF-LLVKDONJSA-N 1 0 334.336 -0.172 20 5 EBBDRO COc1ccc(S(=O)(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000590586034 377638152 /nfs/dbraw/zinc/63/81/52/377638152.db2.gz IHNGGMYVUQVHHE-RYUDHWBXSA-N 1 0 345.377 -0.101 20 5 EBBDRO C[C@@H]([NH3+])CNC(=O)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000591418899 377714569 /nfs/dbraw/zinc/71/45/69/377714569.db2.gz OEQVJDWZQAZACP-LLVKDONJSA-N 1 0 335.364 -0.293 20 5 EBBDRO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC1C[NH2+]C1 ZINC000591363462 377711728 /nfs/dbraw/zinc/71/17/28/377711728.db2.gz QWMAQOOPQNWTJR-UHFFFAOYSA-N 1 0 326.740 -0.005 20 5 EBBDRO C[C@H]([NH3+])CNC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000592333786 377819411 /nfs/dbraw/zinc/81/94/11/377819411.db2.gz POVWLVWZERGFIP-VIFPVBQESA-N 1 0 330.366 -0.273 20 5 EBBDRO C[C@@H]([NH3+])CNC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000592333049 377819996 /nfs/dbraw/zinc/81/99/96/377819996.db2.gz HDZFTLAMSHJMDI-SECBINFHSA-N 1 0 330.366 -0.321 20 5 EBBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000592477185 377838446 /nfs/dbraw/zinc/83/84/46/377838446.db2.gz SDOSQEGUCANOJM-FZMZJTMJSA-N 1 0 349.391 -0.186 20 5 EBBDRO COC(=O)[C@H]1C[NH2+]CCCN1C(=O)Cn1cc([N+](=O)[O-])nc1C ZINC000592554348 377842693 /nfs/dbraw/zinc/84/26/93/377842693.db2.gz LLHWVQGCLGNWMS-SNVBAGLBSA-N 1 0 325.325 -0.537 20 5 EBBDRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000592874586 377854735 /nfs/dbraw/zinc/85/47/35/377854735.db2.gz TZHXQKCHCQJQRZ-SECBINFHSA-N 1 0 337.336 -0.113 20 5 EBBDRO Cc1nn(C)c(C(=O)N2CN(CC[NH+](C)C)C(=O)[C@@H]2C)c1[N+](=O)[O-] ZINC000592877990 377857014 /nfs/dbraw/zinc/85/70/14/377857014.db2.gz BSVWNVDVROWPQW-JTQLQIEISA-N 1 0 338.368 -0.171 20 5 EBBDRO CC[NH+]1CCN(CCNS(=O)(=O)c2ncccc2[N+](=O)[O-])CC1 ZINC000594771333 377953120 /nfs/dbraw/zinc/95/31/20/377953120.db2.gz PNJUFTFFOQBNBI-UHFFFAOYSA-N 1 0 343.409 -0.094 20 5 EBBDRO CCCc1n[nH]c(C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)c1[N+](=O)[O-] ZINC000594879000 377966027 /nfs/dbraw/zinc/96/60/27/377966027.db2.gz QSMGQWVTEGRUQV-RKDXNWHRSA-N 1 0 336.352 -0.346 20 5 EBBDRO CN(CC(=O)N1CC[NH2+]CC1)S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000595106386 377974115 /nfs/dbraw/zinc/97/41/15/377974115.db2.gz VTIBAWXDBXEKNA-UHFFFAOYSA-N 1 0 343.365 -0.958 20 5 EBBDRO C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000595281853 377990752 /nfs/dbraw/zinc/99/07/52/377990752.db2.gz SWPAHYCTKCWKTN-GFCCVEGCSA-N 1 0 349.391 -0.033 20 5 EBBDRO Cc1c(NC(=O)CCN(CC[NH3+])C[C@@H](O)CO)cccc1[N+](=O)[O-] ZINC000595901516 378034359 /nfs/dbraw/zinc/03/43/59/378034359.db2.gz FDBBFLUDECNYPK-GFCCVEGCSA-N 1 0 340.380 -0.154 20 5 EBBDRO C[C@@H](CNC(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1)[NH+](C)C ZINC000597802544 378138193 /nfs/dbraw/zinc/13/81/93/378138193.db2.gz CCEZIHFGKSIRIA-QMMMGPOBSA-N 1 0 330.366 -0.078 20 5 EBBDRO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)n1 ZINC000599111201 378198068 /nfs/dbraw/zinc/19/80/68/378198068.db2.gz KXNIOYBFXRQDAG-TXEJJXNPSA-N 1 0 329.382 -0.052 20 5 EBBDRO O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000599946419 378287646 /nfs/dbraw/zinc/28/76/46/378287646.db2.gz GCHIBIFBNVWJEU-MRVPVSSYSA-N 1 0 332.320 -0.435 20 5 EBBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000571179954 378549510 /nfs/dbraw/zinc/54/95/10/378549510.db2.gz ZIENDJWDHJZQKZ-ZYHUDNBSSA-N 1 0 334.332 -0.013 20 5 EBBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C[C@@H](O)Cn2ccnn2)c1 ZINC000571523991 378552449 /nfs/dbraw/zinc/55/24/49/378552449.db2.gz PLWCBGNXYRXFMC-CHWSQXEVSA-N 1 0 337.336 -0.423 20 5 EBBDRO NS(=O)(=O)c1c([N+](=O)[O-])cccc1N1CCC([NH2+]CCO)CC1 ZINC000571727814 378556448 /nfs/dbraw/zinc/55/64/48/378556448.db2.gz AAOXWMXDPOZBDE-UHFFFAOYSA-N 1 0 344.393 -0.207 20 5 EBBDRO O=C(Cn1cnc([N+](=O)[O-])n1)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000349541079 379140893 /nfs/dbraw/zinc/14/08/93/379140893.db2.gz BYIJVIYNTFMXTI-UHFFFAOYSA-N 1 0 337.384 -0.574 20 5 EBBDRO C[C@@H](NC(=O)C(=O)N1CCO[C@H](C[NH3+])C1)c1cccc([N+](=O)[O-])c1 ZINC000418764432 379335896 /nfs/dbraw/zinc/33/58/96/379335896.db2.gz AJKJCAULZPCLCF-ZWNOBZJWSA-N 1 0 336.348 -0.042 20 5 EBBDRO Cc1ccc([C@@H](C)NC(=O)C(=O)N(CC[NH3+])CCO)cc1[N+](=O)[O-] ZINC000419277968 379340216 /nfs/dbraw/zinc/34/02/16/379340216.db2.gz VDANHYCYMLBXCL-LLVKDONJSA-N 1 0 338.364 -0.140 20 5 EBBDRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000419464882 379340349 /nfs/dbraw/zinc/34/03/49/379340349.db2.gz NRUXIZCGEJVKSI-JQWIXIFHSA-N 1 0 338.368 -0.459 20 5 EBBDRO C[C@@H]1CCN(C(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)C[C@H]1C[NH3+] ZINC000419469925 379340555 /nfs/dbraw/zinc/34/05/55/379340555.db2.gz XJXRVDYDGXBEHG-GHMZBOCLSA-N 1 0 338.368 -0.649 20 5 EBBDRO CCC([NH3+])(CC)CNC(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000419458888 379340987 /nfs/dbraw/zinc/34/09/87/379340987.db2.gz CERMXNDYBKSHHA-UHFFFAOYSA-N 1 0 326.357 -0.459 20 5 EBBDRO COc1cc(S(=O)(=O)NC[C@H]2C[NH2+]CCO2)ccc1[N+](=O)[O-] ZINC000420481485 379354153 /nfs/dbraw/zinc/35/41/53/379354153.db2.gz RDTJHPZYJSFEKL-SECBINFHSA-N 1 0 331.350 -0.130 20 5 EBBDRO C[C@H]1CN(c2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)CCN1CCO ZINC000490079374 379561969 /nfs/dbraw/zinc/56/19/69/379561969.db2.gz ZJEJLOOVPQZCPB-JTQLQIEISA-N 1 0 344.393 -0.255 20 5 EBBDRO C[C@H]1CN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CCN1CCO ZINC000490084060 379562554 /nfs/dbraw/zinc/56/25/54/379562554.db2.gz XRTJCEIPZQHTEU-JTQLQIEISA-N 1 0 344.393 -0.255 20 5 EBBDRO O=C1NC[C@@H]2CN(CCOc3ccc([N+](=O)[O-])cc3)CCN2C1=O ZINC000269058780 380214092 /nfs/dbraw/zinc/21/40/92/380214092.db2.gz ZWJTXWJBEFCTJK-GFCCVEGCSA-N 1 0 334.332 -0.384 20 5 EBBDRO CNS(=O)(=O)CC[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000580640312 380805175 /nfs/dbraw/zinc/80/51/75/380805175.db2.gz BYRPANDDFQDCHK-LLVKDONJSA-N 1 0 333.366 -0.527 20 5 EBBDRO NC(=O)[C@]1(O)CC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000276480394 380889976 /nfs/dbraw/zinc/88/99/76/380889976.db2.gz SADCLKSHZNTNGZ-RISCZKNCSA-N 1 0 325.321 -0.743 20 5 EBBDRO NC(=O)c1ccc(CN2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000581321524 381071489 /nfs/dbraw/zinc/07/14/89/381071489.db2.gz OBTOLYVWOOBWCP-RYUDHWBXSA-N 1 0 333.348 -0.563 20 5 EBBDRO [NH3+][C@@H](CNC(=O)C(=O)NCCOc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000576331627 381782383 /nfs/dbraw/zinc/78/23/83/381782383.db2.gz QGUVSEPYLQZCIM-ZDUSSCGKSA-N 1 0 336.348 -0.057 20 5 EBBDRO [NH3+][C@H](CNC(=O)C(=O)NCCOc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000576331626 381782643 /nfs/dbraw/zinc/78/26/43/381782643.db2.gz QGUVSEPYLQZCIM-CYBMUJFWSA-N 1 0 336.348 -0.057 20 5 EBBDRO NC(=O)[C@@]1([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCOC1 ZINC000576714894 381912374 /nfs/dbraw/zinc/91/23/74/381912374.db2.gz HYHCXBZUDGXSTJ-BXUZGUMPSA-N 1 0 325.321 -0.432 20 5 EBBDRO O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1[nH]ncc1[N+](=O)[O-] ZINC000576821871 381920932 /nfs/dbraw/zinc/92/09/32/381920932.db2.gz CULANFLFYGWRRC-MRVPVSSYSA-N 1 0 336.274 -0.116 20 5 EBBDRO C[C@@H](O)C[N@@H+]1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C[C@@H]1C ZINC000174316288 154104371 /nfs/dbraw/zinc/10/43/71/154104371.db2.gz OANFBAYPHDUFCY-NWDGAFQWSA-N 1 0 338.364 -0.330 20 5 EBBDRO C[C@@H](O)C[N@@H+]1CCN(C(=O)NCCn2cc([N+](=O)[O-])cn2)C[C@H]1C ZINC000186553371 154143535 /nfs/dbraw/zinc/14/35/35/154143535.db2.gz OANPVKGFNINONS-VXGBXAGGSA-N 1 0 340.384 -0.112 20 5 EBBDRO C[C@@H]([NH3+])CC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000261670629 154195726 /nfs/dbraw/zinc/19/57/26/154195726.db2.gz AOPGHYHVTYESAH-SECBINFHSA-N 1 0 330.366 -0.273 20 5 EBBDRO CN(CC(=O)N1CC[NH2+]CC1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000261762095 154200550 /nfs/dbraw/zinc/20/05/50/154200550.db2.gz PWKFHWJQSLVPPG-UHFFFAOYSA-N 1 0 342.377 -0.353 20 5 EBBDRO C[NH2+][C@@H](C)CNC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000261794246 154202310 /nfs/dbraw/zinc/20/23/10/154202310.db2.gz RBVSAIDVACPZLK-JTQLQIEISA-N 1 0 344.393 -0.013 20 5 EBBDRO C[NH2+][C@H](C)CNC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000261794247 154202320 /nfs/dbraw/zinc/20/23/20/154202320.db2.gz RBVSAIDVACPZLK-SNVBAGLBSA-N 1 0 344.393 -0.013 20 5 EBBDRO C[C@H]([NH3+])CC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000261925069 154206224 /nfs/dbraw/zinc/20/62/24/154206224.db2.gz YCYBZXSXWUDWHQ-VIFPVBQESA-N 1 0 330.366 -0.273 20 5 EBBDRO CNS(=O)(=O)c1ccc(NC[C@H]2C[NH2+]CCO2)c([N+](=O)[O-])c1 ZINC000262121660 154213392 /nfs/dbraw/zinc/21/33/92/154213392.db2.gz KUCPGPLWEZEGRJ-SECBINFHSA-N 1 0 330.366 -0.097 20 5 EBBDRO CNS(=O)(=O)c1ccc(NC[C@@H]2C[NH2+]CCO2)c([N+](=O)[O-])c1 ZINC000262121661 154213472 /nfs/dbraw/zinc/21/34/72/154213472.db2.gz KUCPGPLWEZEGRJ-VIFPVBQESA-N 1 0 330.366 -0.097 20 5 EBBDRO [NH3+]CCNC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000262505990 154235436 /nfs/dbraw/zinc/23/54/36/154235436.db2.gz KCKIEVLIBGKPFB-LBPRGKRZSA-N 1 0 342.377 -0.177 20 5 EBBDRO C[NH2+]CCCC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000262616014 154239568 /nfs/dbraw/zinc/23/95/68/154239568.db2.gz DCNFYCIHRXNLPW-UHFFFAOYSA-N 1 0 344.393 -0.011 20 5 EBBDRO O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@H]1CC[NH2+]C1 ZINC000262639206 154241317 /nfs/dbraw/zinc/24/13/17/154241317.db2.gz OFUTUXAZDOWWIQ-JTQLQIEISA-N 1 0 342.377 -0.401 20 5 EBBDRO C[NH+](C)CC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000265464423 154317766 /nfs/dbraw/zinc/31/77/66/154317766.db2.gz WVTWRNAGIJLRFT-UHFFFAOYSA-N 1 0 330.366 -0.449 20 5 EBBDRO C[C@H](CC(N)=O)[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000267214783 154367860 /nfs/dbraw/zinc/36/78/60/154367860.db2.gz IDRUEMUGYUXCQF-SECBINFHSA-N 1 0 330.366 -0.273 20 5 EBBDRO C[NH+](C)CC(=O)N1CCN(c2ncc([N+](=O)[O-])cc2C(N)=O)CC1 ZINC000298450341 155112055 /nfs/dbraw/zinc/11/20/55/155112055.db2.gz UHFHDLIEKNJRJI-UHFFFAOYSA-N 1 0 336.352 -0.701 20 5 EBBDRO Cc1nn(C)c(C(=O)N2CCN(C(=O)C[NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000342849235 156064120 /nfs/dbraw/zinc/06/41/20/156064120.db2.gz SWDBNHBJUHYOTM-UHFFFAOYSA-N 1 0 338.368 -0.517 20 5 EBBDRO COc1ccc(S(=O)(=O)NC[C@@]2(O)CC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000358190252 157227166 /nfs/dbraw/zinc/22/71/66/157227166.db2.gz DTQVFPMYRCHDQC-ZDUSSCGKSA-N 1 0 345.377 -0.052 20 5 EBBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000358217926 157229427 /nfs/dbraw/zinc/22/94/27/157229427.db2.gz VSJCSNJPXUMTTN-ZDUSSCGKSA-N 1 0 345.377 -0.052 20 5 EBBDRO CNS(=O)(=O)c1ccc(NC[C@]2(O)CC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC000358332547 157233690 /nfs/dbraw/zinc/23/36/90/157233690.db2.gz UDOJHRFUWPBVPQ-CYBMUJFWSA-N 1 0 344.393 -0.019 20 5 EBBDRO [NH3+]C[C@H]1CN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)CCO1 ZINC000358513539 157253198 /nfs/dbraw/zinc/25/31/98/157253198.db2.gz JTZSHRZFSOLWDU-NSHDSACASA-N 1 0 332.320 -0.025 20 5 EBBDRO COc1cc(S(=O)(=O)NCCN2CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC000262731000 419071600 /nfs/dbraw/zinc/07/16/00/419071600.db2.gz DEDXRXMMFWJOHR-UHFFFAOYSA-N 1 0 344.393 -0.213 20 5 EBBDRO NS(=O)(=O)NC[C@@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000174842142 420530410 /nfs/dbraw/zinc/53/04/10/420530410.db2.gz RGQNCUZIAHNTRL-JTQLQIEISA-N 1 0 332.386 -0.704 20 5 EBBDRO CNc1nccc(C(=O)N[C@@H](C)CN2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000553092401 421221007 /nfs/dbraw/zinc/22/10/07/421221007.db2.gz FBSMIGWKUVZEDI-NSHDSACASA-N 1 0 336.396 0.397 20 5 EBBDRO CN(CC(=O)N1CC[NH2+]CC1)C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000428212340 265121614 /nfs/dbraw/zinc/12/16/14/265121614.db2.gz WKQYBJNNHUTBSK-UHFFFAOYSA-N 1 0 349.391 -0.079 20 5 EBBDRO O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N[C@@H]1CC[NH2+]C1 ZINC000428649249 265128690 /nfs/dbraw/zinc/12/86/90/265128690.db2.gz KINZNLSXMDJFGH-SNVBAGLBSA-N 1 0 342.377 -0.259 20 5 EBBDRO C[C@@H](CN1CCOCC1)[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000434711686 265211748 /nfs/dbraw/zinc/21/17/48/265211748.db2.gz QSMMGDGPNLDQJD-GXTWGEPZSA-N 1 0 327.385 -0.195 20 5 EBBDRO C[C@H](CN1CCOCC1)[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000434711688 265212649 /nfs/dbraw/zinc/21/26/49/265212649.db2.gz QSMMGDGPNLDQJD-OCCSQVGLSA-N 1 0 327.385 -0.195 20 5 EBBDRO O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CC[NH2+]1 ZINC000444151260 265359572 /nfs/dbraw/zinc/35/95/72/265359572.db2.gz KAPDPAOGZQWSPS-LLVKDONJSA-N 1 0 328.350 -0.649 20 5 EBBDRO C[C@H]1CN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC[N@@H+]1CC(C)(C)O ZINC000444555972 265365180 /nfs/dbraw/zinc/36/51/80/265365180.db2.gz ULGGIHZLUVDQNK-JTQLQIEISA-N 1 0 326.357 -0.510 20 5 EBBDRO CN1CC[NH2+]C[C@H]1CNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000449700070 265394166 /nfs/dbraw/zinc/39/41/66/265394166.db2.gz QUFBSARPCKNBRL-ZDUSSCGKSA-N 1 0 345.363 -0.191 20 5 EBBDRO [NH3+][C@H]1C[C@@H](C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000517030815 265629374 /nfs/dbraw/zinc/62/93/74/265629374.db2.gz XQJKLEVACKZUOQ-AOOOYVTPSA-N 1 0 342.377 -0.273 20 5 EBBDRO NC(=O)[C@]1([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CCOC1 ZINC000514611845 272882845 /nfs/dbraw/zinc/88/28/45/272882845.db2.gz MAHASPWFRIARAQ-HZMBPMFUSA-N 1 0 325.321 -0.432 20 5 EBBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C[C@H]2CCCN2CCCO)c1 ZINC000516468000 272887233 /nfs/dbraw/zinc/88/72/33/272887233.db2.gz MIHMDBLTQSZGII-OCCSQVGLSA-N 1 0 327.385 -0.411 20 5 EBBDRO COC(=O)C[C@]1([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCCOC1 ZINC000770711403 583341018 /nfs/dbraw/zinc/34/10/18/583341018.db2.gz VCAQMPZZTGXCPG-TZMCWYRMSA-N 1 0 342.352 -0.146 20 5 EBBDRO Nc1nc(N2CCC[C@@H](OC(=O)Cn3cnc([N+](=O)[O-])n3)C2)cc[nH+]1 ZINC000810766476 583685740 /nfs/dbraw/zinc/68/57/40/583685740.db2.gz LSAQODSBTRVPLJ-SECBINFHSA-N 1 0 348.323 -0.229 20 5 EBBDRO COC(=O)NC1CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000852769361 584215792 /nfs/dbraw/zinc/21/57/92/584215792.db2.gz UDZVHKUPQPUDGG-GFCCVEGCSA-N 1 0 327.341 -0.027 20 5 EBBDRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)Cn2ncc([N+](=O)[O-])n2)C1 ZINC000863374439 584369407 /nfs/dbraw/zinc/36/94/07/584369407.db2.gz PTGIUALLPRMKMN-LLVKDONJSA-N 1 0 326.357 -0.341 20 5 EBBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000941011955 653376887 /nfs/dbraw/zinc/37/68/87/653376887.db2.gz WSNOTAUUVFNMNV-CHWSQXEVSA-N 1 0 336.392 -0.192 20 5 EBBDRO O=C(CCn1ccnc1)N1C[C@@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@@H]2C1 ZINC000961548677 723036548 /nfs/dbraw/zinc/03/65/48/723036548.db2.gz JEYNFCNJFOVSJP-XJFOESAGSA-N 1 0 347.375 -0.145 20 5 EBBDRO O=C(NC1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)C12CCC[NH+](CCC1)C2 ZINC000994841342 726097548 /nfs/dbraw/zinc/09/75/48/726097548.db2.gz BZUKSOCIBFVXRT-CHWSQXEVSA-N 1 0 336.392 -0.145 20 5 EBBDRO C[NH+](C)C1(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCC1 ZINC000976492065 726328342 /nfs/dbraw/zinc/32/83/42/726328342.db2.gz GVZXLKHOXRBTEB-LBELIVKGSA-N 1 0 336.392 -0.291 20 5 EBBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]C1CCN(C(=O)c2cn[nH]n2)CC1 ZINC000996756021 726425461 /nfs/dbraw/zinc/42/54/61/726425461.db2.gz JKVAQEOILBKJCU-UHFFFAOYSA-N 1 0 334.340 -0.159 20 5 EBBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@@H]2C[N@@H+](CCN3CCNC3=O)C[C@@H]2C1 ZINC001048814694 734520951 /nfs/dbraw/zinc/52/09/51/734520951.db2.gz XTFOHTDUVBBFGV-YVECIDJPSA-N 1 0 337.380 -0.933 20 5 EBBDRO C[NH+](C)CCC(=O)NCC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCOCC1 ZINC001070114300 740705804 /nfs/dbraw/zinc/70/58/04/740705804.db2.gz JKWKYZNSKINMQR-VXGBXAGGSA-N 1 0 342.396 -0.615 20 5 EBBDRO CC(=O)N1CC[C@@H](C[N@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000156822022 803754201 /nfs/dbraw/zinc/75/42/01/803754201.db2.gz QLKNAFQFDDDJKD-JSGCOSHPSA-N 1 0 325.369 -0.048 20 5 EBBDRO CC(=O)N1CC[C@H](C[N@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000156821902 803754656 /nfs/dbraw/zinc/75/46/56/803754656.db2.gz QLKNAFQFDDDJKD-OCCSQVGLSA-N 1 0 325.369 -0.048 20 5 EBBDRO C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)NCc2cccc([N+](=O)[O-])c2)CCO1 ZINC001261379473 812900619 /nfs/dbraw/zinc/90/06/19/812900619.db2.gz DERNSSRNHBFLSW-GXFFZTMASA-N 1 0 336.348 -0.214 20 5 EBBDRO CN(CCC[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)S(C)(=O)=O ZINC001262556813 813096933 /nfs/dbraw/zinc/09/69/33/813096933.db2.gz CSWCQKAQCNUNNP-LLVKDONJSA-N 1 0 335.386 -0.977 20 5 EBBDRO Cc1csc(=O)n1CC[N@H+](C)CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001266273712 813504213 /nfs/dbraw/zinc/50/42/13/813504213.db2.gz YYRSZPLTNRLWSO-GHMZBOCLSA-N 1 0 328.394 -0.069 20 5 EBBDRO CCNC(=O)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2c([N+](=O)[O-])ncn2C)C1 ZINC001266678533 813638000 /nfs/dbraw/zinc/63/80/00/813638000.db2.gz GRFHHQFSXKCARS-AOOOYVTPSA-N 1 0 338.368 -0.409 20 5 EBBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCN(CCO)C(=O)c1ccon1 ZINC001279667954 817966512 /nfs/dbraw/zinc/96/65/12/817966512.db2.gz WSIJPWPNMRPBCV-UHFFFAOYSA-N 1 0 338.324 -0.459 20 5 EBBDRO CCC[N@H+](C)CC(=O)N[C@@H]1[C@H]2CN(c3ncc([N+](=O)[O-])c(N)n3)C[C@H]21 ZINC001097570494 819003948 /nfs/dbraw/zinc/00/39/48/819003948.db2.gz ARMAARXYHPPKLH-IWIIMEHWSA-N 1 0 349.395 -0.140 20 5 EBBDRO CC(C)(C)n1nnc(CC[NH2+]CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 ZINC001126936783 828234009 /nfs/dbraw/zinc/23/40/09/828234009.db2.gz RMWIXJCYMUICMY-NXEZZACHSA-N 1 0 325.373 -0.658 20 5 EBBDRO O=C(NCC[NH2+]CCn1cnc2ccccc2c1=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126936466 828234055 /nfs/dbraw/zinc/23/40/55/828234055.db2.gz JLUIXHUSIGVJKT-TZMCWYRMSA-N 1 0 345.359 -0.233 20 5 EBBDRO O=C(Cn1ccc(=O)[nH]c1=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001130944314 828999457 /nfs/dbraw/zinc/99/94/57/828999457.db2.gz HTHKLRBAHLUHJG-UHFFFAOYSA-N 1 0 347.331 -0.237 20 5 EBBDRO O=C(NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C1CC(=O)NC(=O)C1 ZINC001135269591 829935474 /nfs/dbraw/zinc/93/54/74/829935474.db2.gz OPKGWJQGMJOKPK-UHFFFAOYSA-N 1 0 334.332 -0.147 20 5 EBBDRO COC(=O)[C@H]1CN(c2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)CCN1C ZINC001155238544 831394863 /nfs/dbraw/zinc/39/48/63/831394863.db2.gz DUXKGAQPVOXCJS-LLVKDONJSA-N 1 0 336.352 -0.635 20 5 EBBDRO O=C1CC[C@H](Nc2ncnc(N3CC[NH2+]CC3)c2[N+](=O)[O-])C(=O)N1 ZINC001156714882 831491921 /nfs/dbraw/zinc/49/19/21/831491921.db2.gz YCOGKNBAONBMBP-QMMMGPOBSA-N 1 0 335.324 -0.989 20 5 EBBDRO CCCCNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157775810 831593171 /nfs/dbraw/zinc/59/31/71/831593171.db2.gz YCMYISLYWXNJIZ-GHMZBOCLSA-N 1 0 343.384 -0.627 20 5 EBBDRO Cn1ncc([N+](=O)[O-])c1C(=O)NCC(=O)NCC[NH+]1CCCCC1 ZINC001157971323 831614770 /nfs/dbraw/zinc/61/47/70/831614770.db2.gz KGMIKWBNROSFFY-UHFFFAOYSA-N 1 0 338.368 -0.340 20 5 EBBDRO NC(=O)c1cc([N+](=O)[O-])cnc1NCc1nnn2c1C[NH2+]CCC2 ZINC001162971960 832073684 /nfs/dbraw/zinc/07/36/84/832073684.db2.gz DCFAVULPDYIBCM-UHFFFAOYSA-N 1 0 332.324 -0.214 20 5 EBBDRO O=C(CN1CCNC(=O)C1)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001163875063 832146690 /nfs/dbraw/zinc/14/66/90/832146690.db2.gz ZQWZCFNBRKWDSS-UHFFFAOYSA-N 1 0 349.391 -0.378 20 5 EBBDRO C[NH+](C)CC1CN(C(=O)c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)C1 ZINC001351022217 832211411 /nfs/dbraw/zinc/21/14/11/832211411.db2.gz AIAVLLBRYVPJMW-UHFFFAOYSA-N 1 0 342.377 -0.124 20 5 EBBDRO CS(=O)(=O)[C@H]1CCN(c2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)C1 ZINC001166713212 832282913 /nfs/dbraw/zinc/28/29/13/832282913.db2.gz DGYROEDKTUKJAQ-VIFPVBQESA-N 1 0 327.366 -0.305 20 5 EBBDRO C[NH+](C)C1(C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C[C@H]32)CCC1 ZINC001354114944 832465165 /nfs/dbraw/zinc/46/51/65/832465165.db2.gz KSVWZOHBTGULEZ-LBELIVKGSA-N 1 0 336.392 -0.291 20 5 EBBDRO CN(CC[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)S(C)(=O)=O ZINC001200472573 835971852 /nfs/dbraw/zinc/97/18/52/835971852.db2.gz RJWSWLDGKXFNJA-VXGBXAGGSA-N 1 0 348.425 -0.876 20 5 EBBDRO C[NH+](C)CCN1CCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC1 ZINC001319475366 838136140 /nfs/dbraw/zinc/13/61/40/838136140.db2.gz VVCDEHHUCJUOEB-UHFFFAOYSA-N 1 0 337.380 -0.538 20 5 EBBDRO C[NH+](C)CCNC(=O)C1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC001321903103 839100047 /nfs/dbraw/zinc/10/00/47/839100047.db2.gz DAQBNFHSECLCOX-UHFFFAOYSA-N 1 0 338.368 -0.152 20 5 EBBDRO CS(=O)(=O)N1CC[C@H](C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC001325844407 839953635 /nfs/dbraw/zinc/95/36/35/839953635.db2.gz STVMTXXTNGTDEY-ZYHUDNBSSA-N 1 0 347.397 -0.977 20 5 EBBDRO O=C(NCCc1ccccc1[N+](=O)[O-])C(=O)NC[C@@H]1COCC[NH2+]1 ZINC001328976086 840804557 /nfs/dbraw/zinc/80/45/57/840804557.db2.gz XKVOUZHQIOVKLC-GFCCVEGCSA-N 1 0 336.348 -0.642 20 5 EBBDRO CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC001330023962 841097226 /nfs/dbraw/zinc/09/72/26/841097226.db2.gz KVDPYIIQEFTYMA-LBPRGKRZSA-N 1 0 338.368 -0.636 20 5 EBBDRO O=[N+]([O-])c1cnn(C[C@H](O)CN2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c1 ZINC001330089651 841113428 /nfs/dbraw/zinc/11/34/28/841113428.db2.gz UEZZOGDIRFMXBC-QLFBSQMISA-N 1 0 339.396 -0.317 20 5 EBBDRO COCCN1CCC[C@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC001346123891 843479053 /nfs/dbraw/zinc/47/90/53/843479053.db2.gz WQFITECOZPRXNE-JSGCOSHPSA-N 1 0 327.385 -0.147 20 5 EBBDRO CNS(=O)(=O)CC(=O)NCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001690996919 1125797079 /nfs/dbraw/zinc/79/70/79/1125797079.db2.gz ZCRQMTWZCBCURT-UHFFFAOYSA-N 1 0 344.393 -0.308 20 5 EBBDRO O=C(C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)Nc1cnccn1 ZINC001691093024 1125832525 /nfs/dbraw/zinc/83/25/25/1125832525.db2.gz FBHKFTGDRWXUEJ-WRWGMCAJSA-N 1 0 348.363 -0.435 20 5 EBBDRO CCN(CC[NH2+]Cc1c([N+](=O)[O-])ncn1C)C(=O)CNC(C)=O ZINC001482907320 1126301482 /nfs/dbraw/zinc/30/14/82/1126301482.db2.gz MIHKVOSEZCDWAI-UHFFFAOYSA-N 1 0 326.357 -0.598 20 5 EBBDRO O=C(c1nc[nH]n1)N(CCO)CC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001484497422 1126597979 /nfs/dbraw/zinc/59/79/79/1126597979.db2.gz RQCMCAQMVJQHGE-UHFFFAOYSA-N 1 0 334.336 -0.063 20 5 EBBDRO CN1CCN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)[C@H](C[NH3+])C1 ZINC000578130815 375923853 /nfs/dbraw/zinc/92/38/53/375923853.db2.gz HPNFMIBYTNYEKJ-CYBMUJFWSA-N 1 0 345.363 -0.110 20 5 EBBDRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)Cn3cnc([N+](=O)[O-])n3)CC2)C1 ZINC000609664989 375988371 /nfs/dbraw/zinc/98/83/71/375988371.db2.gz RAXVBGCGDOPIKV-LBPRGKRZSA-N 1 0 337.384 -0.575 20 5 EBBDRO C[C@@H](C[NH+](C)C)NC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000286877037 376348112 /nfs/dbraw/zinc/34/81/12/376348112.db2.gz DWYIEJJLBYMMEV-JTQLQIEISA-N 1 0 344.393 -0.061 20 5 EBBDRO COC1CC[NH+](CCNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000610572967 376297933 /nfs/dbraw/zinc/29/79/33/376297933.db2.gz AZQZULKHFVZHOQ-UHFFFAOYSA-N 1 0 338.364 -0.017 20 5 EBBDRO CC1(C)CN(C(=O)NCCn2cc([N+](=O)[O-])cn2)CC[N@@H+]1CCO ZINC000588630403 376384406 /nfs/dbraw/zinc/38/44/06/376384406.db2.gz NNXMQCNUKPFNPA-UHFFFAOYSA-N 1 0 340.384 -0.111 20 5 EBBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[NH2+]CC1 ZINC000562821442 377001172 /nfs/dbraw/zinc/00/11/72/377001172.db2.gz JHLBVRMGGBFJCR-UHFFFAOYSA-N 1 0 336.348 -0.088 20 5 EBBDRO C[C@@H](NC(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000563522900 377439952 /nfs/dbraw/zinc/43/99/52/377439952.db2.gz UZIBSODGRMHYHX-BXUZGUMPSA-N 1 0 349.391 -0.127 20 5 EBBDRO O=C1C[C@H]([NH2+]CCn2ncnn2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000566411738 377529308 /nfs/dbraw/zinc/52/93/08/377529308.db2.gz JNVXQCYLJYKRRZ-NSHDSACASA-N 1 0 331.292 -0.497 20 5 EBBDRO CCn1cc(S(=O)(=O)N2CCO[C@@H]([C@@H](C)[NH3+])C2)c([N+](=O)[O-])n1 ZINC000592374288 377821626 /nfs/dbraw/zinc/82/16/26/377821626.db2.gz KESOQTQPBJTWDD-RKDXNWHRSA-N 1 0 333.370 -0.452 20 5 EBBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000592477189 377838119 /nfs/dbraw/zinc/83/81/19/377838119.db2.gz SDOSQEGUCANOJM-SMDDNHRTSA-N 1 0 349.391 -0.186 20 5 EBBDRO C[C@H](CN1CC[NH+](C)CC1)NS(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593544696 377890617 /nfs/dbraw/zinc/89/06/17/377890617.db2.gz WNBUNYLGPXGJIB-LLVKDONJSA-N 1 0 343.409 -0.096 20 5 EBBDRO C[C@@H](CN1CC[NH+](C)CC1)NS(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593544706 377891186 /nfs/dbraw/zinc/89/11/86/377891186.db2.gz WNBUNYLGPXGJIB-NSHDSACASA-N 1 0 343.409 -0.096 20 5 EBBDRO C[NH+]1CCN(CCNS(=O)(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000593583210 377895671 /nfs/dbraw/zinc/89/56/71/377895671.db2.gz ZZDCGOVWUPRLOX-UHFFFAOYSA-N 1 0 329.382 -0.485 20 5 EBBDRO COC(=O)[C@H]1C[NH2+]CCCN1C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000592557295 377844088 /nfs/dbraw/zinc/84/40/88/377844088.db2.gz YUPOKVLXDCGTRP-LLVKDONJSA-N 1 0 325.325 -0.455 20 5 EBBDRO O=C(CNC(=O)[C@H]1CCC[NH2+]1)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000592562136 377844660 /nfs/dbraw/zinc/84/46/60/377844660.db2.gz DXLRTMRTVZCOFG-CYBMUJFWSA-N 1 0 333.348 -0.257 20 5 EBBDRO CCO[C@@H]1CN(C(=O)NCCn2cc([N+](=O)[O-])cn2)C[C@H]1C[NH3+] ZINC000593708723 377906651 /nfs/dbraw/zinc/90/66/51/377906651.db2.gz MVYIELUNGTVXSW-ZYHUDNBSSA-N 1 0 326.357 -0.204 20 5 EBBDRO CN(CC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1)c1ccccc1[N+](=O)[O-] ZINC000594885709 377967850 /nfs/dbraw/zinc/96/78/50/377967850.db2.gz CNVWHAGGONMSGQ-RYUDHWBXSA-N 1 0 347.375 -0.199 20 5 EBBDRO CCOC(=O)c1ccnc(N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)c1[N+](=O)[O-] ZINC000567179468 377987446 /nfs/dbraw/zinc/98/74/46/377987446.db2.gz GTIRWMBEJRKNFV-MWLCHTKSSA-N 1 0 349.347 -0.085 20 5 EBBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN(CC[NH3+])C[C@H](O)CO ZINC000595901305 378034816 /nfs/dbraw/zinc/03/48/16/378034816.db2.gz VCPHXHACBCIMHO-NSHDSACASA-N 1 0 342.352 -0.844 20 5 EBBDRO [NH3+]CCn1cc(C(=O)N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)nn1 ZINC000595924755 378035346 /nfs/dbraw/zinc/03/53/46/378035346.db2.gz NNVAGSMXPJOYQV-SNVBAGLBSA-N 1 0 346.351 -0.133 20 5 EBBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(CC[NH3+])C[C@H](O)CO ZINC000595902270 378035880 /nfs/dbraw/zinc/03/58/80/378035880.db2.gz QJNQHGABXHCFGP-ZDUSSCGKSA-N 1 0 340.380 -0.154 20 5 EBBDRO C[NH2+]C[C@H](C)NC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000595982671 378044203 /nfs/dbraw/zinc/04/42/03/378044203.db2.gz LMWMVDQNHOIWCS-JTQLQIEISA-N 1 0 344.393 -0.013 20 5 EBBDRO NS(=O)(=O)c1ccc(N2CC[NH+](CCCO)CC2)cc1[N+](=O)[O-] ZINC000596097705 378052496 /nfs/dbraw/zinc/05/24/96/378052496.db2.gz JNEVCAAASDBLFW-UHFFFAOYSA-N 1 0 344.393 -0.253 20 5 EBBDRO COC[C@H](O)C[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000567378343 378068831 /nfs/dbraw/zinc/06/88/31/378068831.db2.gz ZPROSHQOKGCBPG-LLVKDONJSA-N 1 0 333.366 -0.530 20 5 EBBDRO CS(=O)(=O)NCC[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000567492697 378109468 /nfs/dbraw/zinc/10/94/68/378109468.db2.gz NGKPXORINQRGCW-JTQLQIEISA-N 1 0 333.366 -0.527 20 5 EBBDRO O=C(N[C@@H]1CC[NH2+]C1)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000599966648 378288953 /nfs/dbraw/zinc/28/89/53/378288953.db2.gz RCZFLJSRTZVYSI-LLVKDONJSA-N 1 0 348.363 -0.884 20 5 EBBDRO CN1CCN(C(=O)C(=O)NCCc2cccc([N+](=O)[O-])c2)[C@@H](C[NH3+])C1 ZINC000569794964 378503362 /nfs/dbraw/zinc/50/33/62/378503362.db2.gz VCQIFLQUQWHKSS-AWEZNQCLSA-N 1 0 349.391 -0.645 20 5 EBBDRO Cc1c(C(=O)NC[C@@H]2CC[NH2+]C2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000342747069 378627729 /nfs/dbraw/zinc/62/77/29/378627729.db2.gz WCOIXZHCQQPMDH-SECBINFHSA-N 1 0 342.377 -0.110 20 5 EBBDRO [NH3+][C@@H]1C[C@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CCN2C1=O ZINC000563441561 379025461 /nfs/dbraw/zinc/02/54/61/379025461.db2.gz MFGPARQGHPRFNR-CMPLNLGQSA-N 1 0 340.361 -0.473 20 5 EBBDRO C[C@@H]1CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC[N@@H+]1CC(C)(C)O ZINC000249318047 379167950 /nfs/dbraw/zinc/16/79/50/379167950.db2.gz FTEYSQITMKESGC-TZMCWYRMSA-N 1 0 341.412 -0.071 20 5 EBBDRO CN(C)C[C@H](CO)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000574157470 379232848 /nfs/dbraw/zinc/23/28/48/379232848.db2.gz CXCKJHISZNRVPT-LLVKDONJSA-N 1 0 331.394 -0.119 20 5 EBBDRO CN(CC[NH3+])C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000417276557 379325750 /nfs/dbraw/zinc/32/57/50/379325750.db2.gz DWNMNTPBRGKEKA-UHFFFAOYSA-N 1 0 345.381 -0.527 20 5 EBBDRO [NH3+]CCCNC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000417278521 379325832 /nfs/dbraw/zinc/32/58/32/379325832.db2.gz HDQLEAJQRHTMHV-UHFFFAOYSA-N 1 0 345.381 -0.479 20 5 EBBDRO CC[N@H+](CCO)CCNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000274487058 379455585 /nfs/dbraw/zinc/45/55/85/379455585.db2.gz BGULVBWEDSGIPY-UHFFFAOYSA-N 1 0 338.364 -0.245 20 5 EBBDRO CC[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C(=O)N1CCOCC1 ZINC000574270645 379461973 /nfs/dbraw/zinc/46/19/73/379461973.db2.gz GFBFZGFGDULNPR-OLZOCXBDSA-N 1 0 341.368 -0.621 20 5 EBBDRO CCC[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CC(=O)N(C)C1=O ZINC000282402271 379538884 /nfs/dbraw/zinc/53/88/84/379538884.db2.gz FIPUAAIVKFRFCW-RYUDHWBXSA-N 1 0 339.352 -0.379 20 5 EBBDRO NC(=O)[C@@H]1CCCN1CCC[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000600756233 379657922 /nfs/dbraw/zinc/65/79/22/379657922.db2.gz USJDFKLENUDIHL-OLZOCXBDSA-N 1 0 340.384 -0.918 20 5 EBBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]CCN2CC[C@H](O)C2)c1 ZINC000600762770 379661462 /nfs/dbraw/zinc/66/14/62/379661462.db2.gz WUOIFNNBCNNJNR-KBPBESRZSA-N 1 0 325.365 -0.009 20 5 EBBDRO Cn1cnc([N+](=O)[O-])c1CN1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000354922151 379710627 /nfs/dbraw/zinc/71/06/27/379710627.db2.gz QYLSHERTIRWEOJ-UHFFFAOYSA-N 1 0 339.396 -0.013 20 5 EBBDRO CC(C)[C@@H]([NH3+])C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000269043583 380211680 /nfs/dbraw/zinc/21/16/80/380211680.db2.gz CGSCTFSGYGNDKK-GFCCVEGCSA-N 1 0 344.393 -0.027 20 5 EBBDRO CN1CC[N@H+](C)C[C@@H]1CNc1cc([N+](=O)[O-])ccc1S(N)(=O)=O ZINC000272922944 380921392 /nfs/dbraw/zinc/92/13/92/380921392.db2.gz QPDOPBPPGPLJMG-NSHDSACASA-N 1 0 343.409 -0.100 20 5 EBBDRO CN1CCN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)[C@@H](C[NH3+])C1 ZINC000162267303 381666035 /nfs/dbraw/zinc/66/60/35/381666035.db2.gz ZPDXBEXZSIMVFH-LBPRGKRZSA-N 1 0 345.363 -0.110 20 5 EBBDRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)Cn3cnc([N+](=O)[O-])n3)CC2)C1 ZINC000609664988 382037309 /nfs/dbraw/zinc/03/73/09/382037309.db2.gz RAXVBGCGDOPIKV-GFCCVEGCSA-N 1 0 337.384 -0.575 20 5 EBBDRO O=[N+]([O-])c1ccc(CS(=O)(=O)NCCN2CC[NH2+]CC2)cc1 ZINC000237969605 154175475 /nfs/dbraw/zinc/17/54/75/154175475.db2.gz QZUOJCXGBAOXSN-UHFFFAOYSA-N 1 0 328.394 -0.081 20 5 EBBDRO O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(C(=O)[C@H]2C[C@H](O)C[NH2+]2)CC1 ZINC000262455606 154232191 /nfs/dbraw/zinc/23/21/91/154232191.db2.gz FGNUSHGCJMDOKR-UONOGXRCSA-N 1 0 348.359 -0.398 20 5 EBBDRO C[NH2+]CCNC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000262540048 154236426 /nfs/dbraw/zinc/23/64/26/154236426.db2.gz SDKIMMNRLZUCRJ-UHFFFAOYSA-N 1 0 330.366 -0.401 20 5 EBBDRO C[NH2+]C[C@H](C)C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000262633959 154241395 /nfs/dbraw/zinc/24/13/95/154241395.db2.gz VMNSJCFIZYYVEX-JTQLQIEISA-N 1 0 344.393 -0.155 20 5 EBBDRO [NH3+]CC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000263135539 154254716 /nfs/dbraw/zinc/25/47/16/154254716.db2.gz HVEOVDIQYZKFHQ-UHFFFAOYSA-N 1 0 328.350 -0.614 20 5 EBBDRO Cn1nc([N+](=O)[O-])cc1C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000356452106 157067338 /nfs/dbraw/zinc/06/73/38/157067338.db2.gz XRBFGTGBJJIRLD-SNVBAGLBSA-N 1 0 338.368 -0.355 20 5 EBBDRO CN(C)S(=O)(=O)CC[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000517025869 419090836 /nfs/dbraw/zinc/09/08/36/419090836.db2.gz PXQNVFPIYJOCTQ-LLVKDONJSA-N 1 0 347.393 -0.185 20 5 EBBDRO Nc1c(C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cc(F)cc1[N+](=O)[O-] ZINC000516982165 419090907 /nfs/dbraw/zinc/09/09/07/419090907.db2.gz WNOGBKRXDLVZEX-SCZZXKLOSA-N 1 0 337.311 -0.300 20 5 EBBDRO C[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000520376897 419747579 /nfs/dbraw/zinc/74/75/79/419747579.db2.gz BNHUCNRFGJENHD-LLVKDONJSA-N 1 0 336.348 -0.090 20 5 EBBDRO NS(=O)(=O)NC[C@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000174842135 420530478 /nfs/dbraw/zinc/53/04/78/420530478.db2.gz RGQNCUZIAHNTRL-SNVBAGLBSA-N 1 0 332.386 -0.704 20 5 EBBDRO C[NH+](C)CC(=O)N1CCN(c2c(C(N)=O)cccc2[N+](=O)[O-])CC1 ZINC000420579178 420912706 /nfs/dbraw/zinc/91/27/06/420912706.db2.gz ASAGPMJOMLXVFS-UHFFFAOYSA-N 1 0 335.364 -0.096 20 5 EBBDRO CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)C[NH+](C)C ZINC000421987136 420920405 /nfs/dbraw/zinc/92/04/05/420920405.db2.gz LDBRIHLTBUWHIE-UHFFFAOYSA-N 1 0 344.393 -0.107 20 5 EBBDRO CCOCC[NH+]1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000174782249 420953246 /nfs/dbraw/zinc/95/32/46/420953246.db2.gz ZXZMOVRMBQDDSK-AWEZNQCLSA-N 1 0 327.385 -0.194 20 5 EBBDRO O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])NC[C@H]1CCC[NH2+]1 ZINC000422792761 420922194 /nfs/dbraw/zinc/92/21/94/420922194.db2.gz WJNMHYKLPRWCBY-SNVBAGLBSA-N 1 0 342.377 -0.259 20 5 EBBDRO [NH3+][C@@H]1CCN(C(=O)C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000423149364 420922964 /nfs/dbraw/zinc/92/29/64/420922964.db2.gz HLVCDZCQVNWCCU-GFCCVEGCSA-N 1 0 347.375 -0.197 20 5 EBBDRO CN(C[C@H](O)CN1CCOCC1)C(=O)c1cc([N+](=O)[O-])cn1C ZINC000530957975 420927159 /nfs/dbraw/zinc/92/71/59/420927159.db2.gz NYVBEBWULLRBSQ-LBPRGKRZSA-N 1 0 326.353 -0.302 20 5 EBBDRO CNc1nccc(C(=O)N2CCN(CC[NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000566431424 421220747 /nfs/dbraw/zinc/22/07/47/421220747.db2.gz KRGKCDXWYUNMAV-UHFFFAOYSA-N 1 0 336.396 0.351 20 5 EBBDRO CNc1nccc(C(=O)NCCCN2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000594214995 421220943 /nfs/dbraw/zinc/22/09/43/421220943.db2.gz KPKUIXBRBKYVDP-UHFFFAOYSA-N 1 0 336.396 0.399 20 5 EBBDRO O=C(NCCn1cc([N+](=O)[O-])cn1)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000424165247 265050023 /nfs/dbraw/zinc/05/00/23/265050023.db2.gz AKMKBMAMELPEEN-SNVBAGLBSA-N 1 0 334.340 -0.263 20 5 EBBDRO Cn1cc([C@@H]2CN(C(=O)NCCn3cc([N+](=O)[O-])cn3)C[C@H]2[NH3+])cn1 ZINC000424458508 265062567 /nfs/dbraw/zinc/06/25/67/265062567.db2.gz CIXVVBTWXGZOKU-QWHCGFSZSA-N 1 0 348.367 -0.339 20 5 EBBDRO CN1CC[C@@H]([NH+]2CCC(NC(=O)c3cc([N+](=O)[O-])n[nH]3)CC2)C1=O ZINC000425305270 265091309 /nfs/dbraw/zinc/09/13/09/265091309.db2.gz HVSJRBMKTVLRIT-LLVKDONJSA-N 1 0 336.352 -0.257 20 5 EBBDRO C[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCN(CCO)CC1 ZINC000438718147 265259059 /nfs/dbraw/zinc/25/90/59/265259059.db2.gz WOLTUCLAMSTNJE-AWEZNQCLSA-N 1 0 327.385 -0.459 20 5 EBBDRO C[C@@H]1CN(C(=O)C(=O)NCCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1[NH3+] ZINC000519690625 265642673 /nfs/dbraw/zinc/64/26/73/265642673.db2.gz LWKNUDOANFPATM-MFKMUULPSA-N 1 0 336.348 -0.105 20 5 EBBDRO C[NH2+][C@@H](C)CNC(=O)C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000420121770 272820412 /nfs/dbraw/zinc/82/04/12/272820412.db2.gz KUGYPYFEXIESHO-JTQLQIEISA-N 1 0 336.348 -0.092 20 5 EBBDRO C[NH+](C)CC(=O)N1CCN(c2nccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000357305027 282057282 /nfs/dbraw/zinc/05/72/82/282057282.db2.gz RNTKRAOWJXCFOC-UHFFFAOYSA-N 1 0 336.352 -0.701 20 5 EBBDRO COC(=O)c1ccc(S(=O)(=O)N(C)C2C[NH2+]C2)cc1[N+](=O)[O-] ZINC000420415178 545993303 /nfs/dbraw/zinc/99/33/03/545993303.db2.gz AMCRAOUBKHAMCL-UHFFFAOYSA-N 1 0 329.334 -0.026 20 5 EBBDRO COC(=O)C[C@@]1([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCCOC1 ZINC000770711400 583340969 /nfs/dbraw/zinc/34/09/69/583340969.db2.gz VCAQMPZZTGXCPG-OCCSQVGLSA-N 1 0 342.352 -0.146 20 5 EBBDRO COC(=O)CN(CCN1CC[NH+](C)CC1)Cn1cc([N+](=O)[O-])cn1 ZINC000799145860 583610349 /nfs/dbraw/zinc/61/03/49/583610349.db2.gz ONUWMOMVZZWQPO-UHFFFAOYSA-N 1 0 340.384 -0.529 20 5 EBBDRO [NH3+][C@H]1CCN(C(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000817918347 583730942 /nfs/dbraw/zinc/73/09/42/583730942.db2.gz KVDAZFXLUUAMSQ-LBPRGKRZSA-N 1 0 347.375 -0.197 20 5 EBBDRO O=C1OCCN1[C@@H]1CC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000852431645 584212330 /nfs/dbraw/zinc/21/23/30/584212330.db2.gz FEDPAVSWCFOEKH-PWSUYJOCSA-N 1 0 325.325 -0.321 20 5 EBBDRO CN1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@H]1CO ZINC000931404357 651631429 /nfs/dbraw/zinc/63/14/29/651631429.db2.gz WXLUAKQUHBBALE-QWHCGFSZSA-N 1 0 325.365 -0.057 20 5 EBBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]C1CCN(C(=O)c2cnn(C)n2)CC1 ZINC000997094428 726437999 /nfs/dbraw/zinc/43/79/99/726437999.db2.gz CQXCQONTMFHTSL-UHFFFAOYSA-N 1 0 348.367 -0.149 20 5 EBBDRO Cc1nonc1CC(=O)N[C@H]1C[C@H]([NH2+]Cc2c([N+](=O)[O-])ncn2C)C1 ZINC001020861144 729249018 /nfs/dbraw/zinc/24/90/18/729249018.db2.gz KQWXUCAZRUVFTO-MGCOHNPYSA-N 1 0 349.351 -0.001 20 5 EBBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ncnn2CCF)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001022063926 729451646 /nfs/dbraw/zinc/45/16/46/729451646.db2.gz PKHXGPIVNQHSRB-LMLFDSFASA-N 1 0 326.332 -0.350 20 5 EBBDRO NC(=O)c1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC001025775295 730086239 /nfs/dbraw/zinc/08/62/39/730086239.db2.gz MQVFYDKYDYPNOH-QMIVOQANSA-N 1 0 344.371 -0.003 20 5 EBBDRO NC(=O)c1cccc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC001025775590 730086306 /nfs/dbraw/zinc/08/63/06/730086306.db2.gz GQQMKCKKLZCWLD-QMIVOQANSA-N 1 0 344.371 -0.003 20 5 EBBDRO CCOCC(=O)NCC[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001055505202 736361270 /nfs/dbraw/zinc/36/12/70/736361270.db2.gz AXISBKBRPBERAL-CHWSQXEVSA-N 1 0 342.396 -0.615 20 5 EBBDRO C[N@H+](CC(=O)NCCN(CCO)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CCC1 ZINC001057545027 737324139 /nfs/dbraw/zinc/32/41/39/737324139.db2.gz RSZRHKSEPPXBMR-CHWSQXEVSA-N 1 0 342.396 -0.927 20 5 EBBDRO Nc1nc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[NH+]2CCCC2)ncc1[N+](=O)[O-] ZINC001060415737 738358181 /nfs/dbraw/zinc/35/81/81/738358181.db2.gz PUFAWPQKDAZNMX-IWIIMEHWSA-N 1 0 347.379 -0.386 20 5 EBBDRO C[NH+](C)CCC(=O)NC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCOCC1 ZINC001070238834 740764987 /nfs/dbraw/zinc/76/49/87/740764987.db2.gz HUQHDVPVSYHXLG-VXGBXAGGSA-N 1 0 342.396 -0.615 20 5 EBBDRO C[C@H](Cn1cnc2c1c(=O)n(C)c(=O)n2C)OCCC[N+](C)(C)C ZINC001224622539 811768505 /nfs/dbraw/zinc/76/85/05/811768505.db2.gz HYXSQJVORIPDRO-GFCCVEGCSA-N 1 0 338.432 -0.065 20 5 EBBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cc(=O)[nH]c(N2CCOCC2)n1 ZINC001226721225 811879699 /nfs/dbraw/zinc/87/96/99/811879699.db2.gz CRSDRBXFOBJQDX-LLVKDONJSA-O 1 0 341.388 -0.619 20 5 EBBDRO COC(=O)C1C=c2ccc(OC(=O)C[C@@H](O)C[N+](C)(C)C)cc2=N1 ZINC001229560799 812039106 /nfs/dbraw/zinc/03/91/06/812039106.db2.gz MYWXXILSLXWZHD-GFCCVEGCSA-O 1 0 335.380 -0.164 20 5 EBBDRO O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001253411374 812679376 /nfs/dbraw/zinc/67/93/76/812679376.db2.gz ICINOUMMEJCRGL-NEPJUHHUSA-N 1 0 336.348 -0.264 20 5 EBBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C(CO)(CO)CO)CC2)cc1 ZINC001254466636 812704814 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O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C2CCN([C@@H]3CCOC3)CC2)c1 ZINC001327958565 840557872 /nfs/dbraw/zinc/55/78/72/840557872.db2.gz WLACXJXVSWELBX-HIFRSBDPSA-N 1 0 339.396 -0.005 20 5 EBBDRO CC[NH+]1CCN([C@@H](C)CNC(=O)Cn2cnc([N+](=O)[O-])n2)CC1 ZINC001328076857 840580843 /nfs/dbraw/zinc/58/08/43/840580843.db2.gz VIJJIKRXDAHHDO-NSHDSACASA-N 1 0 325.373 -0.672 20 5 EBBDRO Cn1cc(C[C@@H](CO)C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cn1 ZINC001328412550 840672048 /nfs/dbraw/zinc/67/20/48/840672048.db2.gz IMFAJFJRMQEIQY-TZMCWYRMSA-N 1 0 338.368 -0.674 20 5 EBBDRO O=C(N[C@H]1C[C@H](C[NH2+]CCN2CCNC2=O)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001330594882 841242274 /nfs/dbraw/zinc/24/22/74/841242274.db2.gz PQMKLBYFZUNUHN-DDHJBXDOSA-N 1 0 325.369 -0.839 20 5 EBBDRO COCCn1c(C[N+](=O)[O-])nnc1N1CCN2CCOC[C@H]2C1 ZINC001343164939 843203189 /nfs/dbraw/zinc/20/31/89/843203189.db2.gz CNFJBAOQXHPFEG-LLVKDONJSA-N 1 0 326.357 -0.778 20 5 EBBDRO C[C@H]1COCC[N@@H+]1C1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC1 ZINC001347787706 843644225 /nfs/dbraw/zinc/64/42/25/843644225.db2.gz QSFDSBFNMHWMMQ-NSHDSACASA-N 1 0 338.368 -0.102 20 5 EBBDRO CN(CC[NH2+]CC1CCS(=O)(=O)CC1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001691315046 1125849797 /nfs/dbraw/zinc/84/97/97/1125849797.db2.gz QREKIRQNOWPSQX-VXGBXAGGSA-N 1 0 333.410 -0.476 20 5 EBBDRO CC(=O)N1CC(C(=O)N(C)CC[NH2+]Cc2c([N+](=O)[O-])ncn2C)C1 ZINC001481224337 1125947965 /nfs/dbraw/zinc/94/79/65/1125947965.db2.gz NEKVXWRGIWSUNC-UHFFFAOYSA-N 1 0 338.368 -0.645 20 5 EBBDRO CN(CC[NH2+]CCN1C(=O)NC(C)(C)C1=O)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001481228747 1125948357 /nfs/dbraw/zinc/94/83/57/1125948357.db2.gz FEDIFVOIYSEBJF-NXEZZACHSA-N 1 0 341.368 -0.970 20 5 EBBDRO Cc1cc(NC(=O)C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)on1 ZINC001490888135 1130204227 /nfs/dbraw/zinc/20/42/27/1130204227.db2.gz IPFVRGUJKQIBCW-GWOFURMSSA-N 1 0 337.336 -0.176 20 5 EBBDRO C[NH+](C)CCC(=O)NCC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001492161178 1130586609 /nfs/dbraw/zinc/58/66/09/1130586609.db2.gz GLRJKOBDXNISBQ-CHWSQXEVSA-N 1 0 326.397 -0.042 20 5 EBBDRO COCC[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cc(C(=O)OC)c1=O ZINC000577527731 375874322 /nfs/dbraw/zinc/87/43/22/375874322.db2.gz ASFHZQZBFOJZJN-LLVKDONJSA-N 1 0 343.336 -0.518 20 5 EBBDRO CC1(C)CN(CC[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCO1 ZINC000578316339 375984909 /nfs/dbraw/zinc/98/49/09/375984909.db2.gz XFTVJSWMMLNSPW-CYBMUJFWSA-N 1 0 327.385 -0.147 20 5 EBBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@H](CO)C[NH+](C)C ZINC000588864397 376397375 /nfs/dbraw/zinc/39/73/75/376397375.db2.gz HAIBDLDDCDEURW-JQWIXIFHSA-N 1 0 338.364 -0.248 20 5 EBBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000588863569 376397391 /nfs/dbraw/zinc/39/73/91/376397391.db2.gz QJCCAMLTIPMTQT-AAEUAGOBSA-N 1 0 336.348 -0.576 20 5 EBBDRO CC[N@@H+]1CC[C@@H]2OCCN(C[C@H](O)Cn3cc([N+](=O)[O-])cn3)[C@@H]2C1 ZINC000339395680 376653673 /nfs/dbraw/zinc/65/36/73/376653673.db2.gz MFYNYCXZMMOIBH-ZNMIVQPWSA-N 1 0 339.396 -0.053 20 5 EBBDRO O=C(C[NH2+]C1CC1)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000562969108 377328294 /nfs/dbraw/zinc/32/82/94/377328294.db2.gz FQKZLXBAYUERCU-UHFFFAOYSA-N 1 0 342.377 -0.259 20 5 EBBDRO COc1cc(S(=O)(=O)N2CCN(C)C[C@@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000563210051 377433873 /nfs/dbraw/zinc/43/38/73/377433873.db2.gz BUSORZULDBSMGJ-JTQLQIEISA-N 1 0 344.393 -0.133 20 5 EBBDRO [NH3+][C@H]1C[C@@H](C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000564729204 377447427 /nfs/dbraw/zinc/44/74/27/377447427.db2.gz NBJPAHPSWWTJAD-AOOOYVTPSA-N 1 0 342.377 -0.273 20 5 EBBDRO [NH3+]C[C@@H]1CCN(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000592468879 377837796 /nfs/dbraw/zinc/83/77/96/377837796.db2.gz OCZBQKFPUGFYEH-JTQLQIEISA-N 1 0 342.377 -0.320 20 5 EBBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C[C@@H](O)Cn1ccnn1 ZINC000566974227 377889661 /nfs/dbraw/zinc/88/96/61/377889661.db2.gz VENKVYHPKKMQIM-VXGBXAGGSA-N 1 0 337.336 -0.423 20 5 EBBDRO C[NH+](C)CC[C@@H](N)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000593902069 377920881 /nfs/dbraw/zinc/92/08/81/377920881.db2.gz NCWSGDPWWUIBLT-CYBMUJFWSA-N 1 0 336.396 -0.083 20 5 EBBDRO CCCc1n[nH]c(C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)c1[N+](=O)[O-] ZINC000594878998 377965177 /nfs/dbraw/zinc/96/51/77/377965177.db2.gz QSMGQWVTEGRUQV-IUCAKERBSA-N 1 0 336.352 -0.346 20 5 EBBDRO CN(CCN1CC[NH2+]CC1)S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000595101859 377974391 /nfs/dbraw/zinc/97/43/91/377974391.db2.gz HNXNFWPOSNSTSZ-UHFFFAOYSA-N 1 0 329.382 -0.485 20 5 EBBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(CC[NH3+])C[C@@H](O)CO ZINC000595901772 378034059 /nfs/dbraw/zinc/03/40/59/378034059.db2.gz ISIAUXMRJQNGFX-CYBMUJFWSA-N 1 0 340.380 -0.154 20 5 EBBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2CCCN(CCCO)C2)c1 ZINC000567899329 378272111 /nfs/dbraw/zinc/27/21/11/378272111.db2.gz YBJIGLKSJUUXHC-TZMCWYRMSA-N 1 0 327.385 -0.411 20 5 EBBDRO C[NH2+]CCOCCNC(=O)C(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000599950266 378287016 /nfs/dbraw/zinc/28/70/16/378287016.db2.gz NGCPRHDTHVWSRW-UHFFFAOYSA-N 1 0 338.364 -0.128 20 5 EBBDRO Cc1c(CNC(=O)C(=O)N(C)CCOCC[NH3+])cccc1[N+](=O)[O-] ZINC000599950527 378287460 /nfs/dbraw/zinc/28/74/60/378287460.db2.gz OFWCQDAIOHMCEG-UHFFFAOYSA-N 1 0 338.364 -0.047 20 5 EBBDRO CC[C@@H]([NH3+])C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000567800335 378242413 /nfs/dbraw/zinc/24/24/13/378242413.db2.gz HBKHFVSVUXGLMG-SECBINFHSA-N 1 0 330.366 -0.273 20 5 EBBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH+]1C[C@@H](CO)[C@H](CO)C1 ZINC000599531493 378254911 /nfs/dbraw/zinc/25/49/11/378254911.db2.gz ZEULUJDTJMSWAC-AVGNSLFASA-N 1 0 326.349 -0.133 20 5 EBBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH+]1C[C@@H](CO)[C@H](CO)C1 ZINC000599531494 378255414 /nfs/dbraw/zinc/25/54/14/378255414.db2.gz ZEULUJDTJMSWAC-RWMBFGLXSA-N 1 0 326.349 -0.133 20 5 EBBDRO O=[N+]([O-])c1ncccc1S(=O)(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000569693702 378500818 /nfs/dbraw/zinc/50/08/18/378500818.db2.gz YENXKEQILVHRSL-NSHDSACASA-N 1 0 341.393 -0.342 20 5 EBBDRO CN1CCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)[C@H](C[NH3+])C1 ZINC000570635722 378512391 /nfs/dbraw/zinc/51/23/91/378512391.db2.gz UBWTVBDHMLZYFY-CYBMUJFWSA-N 1 0 328.394 -0.001 20 5 EBBDRO [NH3+][C@H]1C[C@@H]2CN(C(=O)c3n[nH]c4ccc([N+](=O)[O-])cc43)CCN2C1=O ZINC000571106805 378549451 /nfs/dbraw/zinc/54/94/51/378549451.db2.gz QVMNJIRTOZSVOI-KOLCDFICSA-N 1 0 344.331 -0.145 20 5 EBBDRO [NH3+][C@H]1C[C@@H](C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000571523732 378552880 /nfs/dbraw/zinc/55/28/80/378552880.db2.gz SUCIJQNOVSACNE-AOOOYVTPSA-N 1 0 342.377 -0.273 20 5 EBBDRO CN(CC[NH3+])C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000417685522 379327175 /nfs/dbraw/zinc/32/71/75/379327175.db2.gz YKFUPNWUQYLUOA-UHFFFAOYSA-N 1 0 345.381 -0.527 20 5 EBBDRO C[C@H](NC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1)c1cccc([N+](=O)[O-])c1 ZINC000418764421 379335769 /nfs/dbraw/zinc/33/57/69/379335769.db2.gz AJKJCAULZPCLCF-GWCFXTLKSA-N 1 0 336.348 -0.042 20 5 EBBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000418951525 379338687 /nfs/dbraw/zinc/33/86/87/379338687.db2.gz UJXRUOIPYPIUGO-TXEJJXNPSA-N 1 0 348.359 -0.103 20 5 EBBDRO CCCC[C@@H](C[NH3+])NC(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000419462119 379340370 /nfs/dbraw/zinc/34/03/70/379340370.db2.gz JAEYCNNWXUKKDA-JTQLQIEISA-N 1 0 326.357 -0.459 20 5 EBBDRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000419500117 379340780 /nfs/dbraw/zinc/34/07/80/379340780.db2.gz WTQJZRXNEUMSBJ-VXGBXAGGSA-N 1 0 340.384 -0.112 20 5 EBBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000428948640 379444074 /nfs/dbraw/zinc/44/40/74/379444074.db2.gz UPTRPENDXPKIAT-NSHDSACASA-N 1 0 338.368 -0.587 20 5 EBBDRO C[C@@H]1C[C@@H](N2CCOCC2)C[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000352887981 379685523 /nfs/dbraw/zinc/68/55/23/379685523.db2.gz MCXHEJPFOFQDST-UMVBOHGHSA-N 1 0 339.396 -0.053 20 5 EBBDRO O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)NCC[N@H+]1CC[C@H](O)C1 ZINC000600806704 379660190 /nfs/dbraw/zinc/66/01/90/379660190.db2.gz DSZDOKMWQMRRKJ-ZDUSSCGKSA-N 1 0 336.348 -0.493 20 5 EBBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]CCN2CC[C@H](O)C2)c1 ZINC000600762772 379661305 /nfs/dbraw/zinc/66/13/05/379661305.db2.gz WUOIFNNBCNNJNR-UONOGXRCSA-N 1 0 325.365 -0.009 20 5 EBBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@H+](CCO)CCN1CCOCC1 ZINC000090551633 379837174 /nfs/dbraw/zinc/83/71/74/379837174.db2.gz RXDJEUOAVKZMFB-UHFFFAOYSA-N 1 0 340.380 -0.617 20 5 EBBDRO CN(CC(=O)N1CC[C@H]([NH3+])C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000269152765 380233625 /nfs/dbraw/zinc/23/36/25/380233625.db2.gz CQBVXEHCFUEXTO-JTQLQIEISA-N 1 0 342.377 -0.225 20 5 EBBDRO NC(=O)c1ccc(CN2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000581321522 381071225 /nfs/dbraw/zinc/07/12/25/381071225.db2.gz OBTOLYVWOOBWCP-NEPJUHHUSA-N 1 0 333.348 -0.563 20 5 EBBDRO NC(=O)c1ccc(CN2C(=O)N[C@@]3(CCC[NH2+]C3)C2=O)c([N+](=O)[O-])c1 ZINC000583750983 381133048 /nfs/dbraw/zinc/13/30/48/381133048.db2.gz WNVUSZLFKTZHTL-OAHLLOKOSA-N 1 0 347.331 -0.132 20 5 EBBDRO O=C(NCCn1cc([N+](=O)[O-])cn1)NC[C@H]1CCC[N@H+]1CCCO ZINC000458573005 381293937 /nfs/dbraw/zinc/29/39/37/381293937.db2.gz RPUOLSHZOXMJPY-GFCCVEGCSA-N 1 0 340.384 -0.063 20 5 EBBDRO [NH3+][C@H]1C[C@@H]2CN(c3nc4ccc([N+](=O)[O-])cc4c(=O)[nH]3)CCN2C1=O ZINC000583575487 381514985 /nfs/dbraw/zinc/51/49/85/381514985.db2.gz HOBWTVFIOAGNDD-KOLCDFICSA-N 1 0 344.331 -0.008 20 5 EBBDRO C[C@@H](O)C[N@@H+]1CCN(C(=O)NCCn2cc([N+](=O)[O-])cn2)C[C@@H]1C ZINC000186553391 154143705 /nfs/dbraw/zinc/14/37/05/154143705.db2.gz OANPVKGFNINONS-NWDGAFQWSA-N 1 0 340.384 -0.112 20 5 EBBDRO O=C(NCCN1CC[NH2+]CC1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000238089985 154177659 /nfs/dbraw/zinc/17/76/59/154177659.db2.gz TZWXUQDLTDMOPU-UHFFFAOYSA-N 1 0 345.363 -0.190 20 5 EBBDRO O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)NCC1C[NH2+]C1 ZINC000261914937 154205151 /nfs/dbraw/zinc/20/51/51/154205151.db2.gz HRUDPUKELGZLKB-UHFFFAOYSA-N 1 0 342.377 -0.401 20 5 EBBDRO C[C@@H](C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@H](C)[NH3+] ZINC000262522906 154235526 /nfs/dbraw/zinc/23/55/26/154235526.db2.gz JHZCQMHKKLQRDS-ZJUUUORDSA-N 1 0 344.393 -0.027 20 5 EBBDRO COCCN(CC[NH+](C)C)C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000264167524 154274879 /nfs/dbraw/zinc/27/48/79/154274879.db2.gz JYEHJGCQWOWWEY-UHFFFAOYSA-N 1 0 326.353 -0.207 20 5 EBBDRO C[C@@H](CC(N)=O)[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000267214786 154367546 /nfs/dbraw/zinc/36/75/46/154367546.db2.gz IDRUEMUGYUXCQF-VIFPVBQESA-N 1 0 330.366 -0.273 20 5 EBBDRO COC(=O)c1cc([N+](=O)[O-])c(=O)n(CC(=O)NCCC[NH+](C)C)c1 ZINC000340547975 155880292 /nfs/dbraw/zinc/88/02/92/155880292.db2.gz KECZPBYYSVNUQC-UHFFFAOYSA-N 1 0 340.336 -0.389 20 5 EBBDRO COc1ccc(S(=O)(=O)N2CCN(C)C[C@@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC000321266993 419049277 /nfs/dbraw/zinc/04/92/77/419049277.db2.gz BDJOTLWGVGYQPO-JTQLQIEISA-N 1 0 344.393 -0.133 20 5 EBBDRO O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)NC[C@H]1C[NH2+]CCO1 ZINC000517024836 419090779 /nfs/dbraw/zinc/09/07/79/419090779.db2.gz HOERUORRHVRGMK-CYBMUJFWSA-N 1 0 336.348 -0.181 20 5 EBBDRO CC[NH+](CC)CC(=O)N1CCN(C(=O)c2c[nH]nc2[N+](=O)[O-])CC1 ZINC000520369349 419745892 /nfs/dbraw/zinc/74/58/92/419745892.db2.gz RXYHIRPVNOZXJE-UHFFFAOYSA-N 1 0 338.368 -0.056 20 5 EBBDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000488888290 420881523 /nfs/dbraw/zinc/88/15/23/420881523.db2.gz XSOZDKMSDVWWFV-LLVKDONJSA-N 1 0 338.368 -0.102 20 5 EBBDRO C[NH2+]CCCNC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000422734961 420921679 /nfs/dbraw/zinc/92/16/79/420921679.db2.gz VEPZRCCZIKTIIC-UHFFFAOYSA-N 1 0 330.366 -0.401 20 5 EBBDRO C[C@@H]1CN(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC[NH2+]1 ZINC000422838016 420922051 /nfs/dbraw/zinc/92/20/51/420922051.db2.gz NNPJBJVYSYKELF-SNVBAGLBSA-N 1 0 342.377 -0.307 20 5 EBBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000278726979 420937474 /nfs/dbraw/zinc/93/74/74/420937474.db2.gz LBAXXNGCLXYRRV-RYUDHWBXSA-N 1 0 325.321 -0.031 20 5 EBBDRO C[C@@H](C[NH3+])CNC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000423457706 265006564 /nfs/dbraw/zinc/00/65/64/265006564.db2.gz PHMQAIBGHLMKRC-VIFPVBQESA-N 1 0 330.366 -0.416 20 5 EBBDRO C[C@@H]1CN(C(=O)C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)C[C@H]1[NH3+] ZINC000423567447 265012373 /nfs/dbraw/zinc/01/23/73/265012373.db2.gz CWSXCUJCXKYFMV-QMTHXVAHSA-N 1 0 348.359 -0.010 20 5 EBBDRO [NH3+][C@@H]1C[C@@H]1C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000424131063 265048609 /nfs/dbraw/zinc/04/86/09/265048609.db2.gz UPGNBIUYQVWSFQ-DTWKUNHWSA-N 1 0 328.350 -0.664 20 5 EBBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@H](O)CN2CCOCC2)cc1 ZINC000746286177 583104737 /nfs/dbraw/zinc/10/47/37/583104737.db2.gz NKGIMFUUTHTQIU-GJZGRUSLSA-N 1 0 325.365 -0.089 20 5 EBBDRO COC(=O)N1CCC[C@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000819003303 583753942 /nfs/dbraw/zinc/75/39/42/583753942.db2.gz OFSRTHPXAFCFOM-CMPLNLGQSA-N 1 0 327.341 -0.027 20 5 EBBDRO CCNS(=O)(=O)CC[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000819044090 583754449 /nfs/dbraw/zinc/75/44/49/583754449.db2.gz ZJXSLLJRFRJSRA-GFCCVEGCSA-N 1 0 347.393 -0.137 20 5 EBBDRO COCC[N@H+]1[C@H](C)CN(C(=O)Cn2cnc([N+](=O)[O-])n2)C[C@@H]1C ZINC000122074477 584422999 /nfs/dbraw/zinc/42/29/99/584422999.db2.gz ZNVKUHNGKRMPDS-PHIMTYICSA-N 1 0 326.357 -0.246 20 5 EBBDRO CN1CCN(C)CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000907790647 650090319 /nfs/dbraw/zinc/09/03/19/650090319.db2.gz QXPYBFGBRVWSME-UHFFFAOYSA-N 1 0 343.409 -0.142 20 5 EBBDRO CN1CC[NH2+]C[C@@H]1C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000912364331 650203963 /nfs/dbraw/zinc/20/39/63/650203963.db2.gz HRYTUVUXVFLHKN-CYBMUJFWSA-N 1 0 334.380 -0.458 20 5 EBBDRO O=C(Cn1ccnc1)N1CCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CC1 ZINC000944970939 653304181 /nfs/dbraw/zinc/30/41/81/653304181.db2.gz QUMPLUBWPHKDBK-CHWSQXEVSA-N 1 0 347.375 -0.001 20 5 EBBDRO Cn1cc(C(=O)N2CCC([NH2+]Cc3c([N+](=O)[O-])ncn3C)CC2)nn1 ZINC000992055677 725711141 /nfs/dbraw/zinc/71/11/41/725711141.db2.gz DXNISIQDOQESPU-UHFFFAOYSA-N 1 0 348.367 -0.149 20 5 EBBDRO CC(C)n1nnnc1C[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000996430081 726392222 /nfs/dbraw/zinc/39/22/22/726392222.db2.gz ZMBRQKLUWGZWAU-VXGBXAGGSA-N 1 0 337.384 0.000 20 5 EBBDRO CCCn1nnnc1C[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000996441904 726394086 /nfs/dbraw/zinc/39/40/86/726394086.db2.gz SBZNLCYKMXUXKC-VXGBXAGGSA-N 1 0 337.384 -0.171 20 5 EBBDRO CCn1nncc1C(=O)N[C@H]1C[C@H]([NH2+]Cc2c([N+](=O)[O-])ncn2C)C1 ZINC001020131434 729080162 /nfs/dbraw/zinc/08/01/62/729080162.db2.gz HIGOFSMCUUGPHB-MGCOHNPYSA-N 1 0 348.367 -0.010 20 5 EBBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@@H]1C[C@H](NC(=O)c2cnn(C)n2)C1 ZINC001022850265 729540602 /nfs/dbraw/zinc/54/06/02/729540602.db2.gz IEIZXLZPHRUAOO-DTORHVGOSA-N 1 0 334.340 -0.493 20 5 EBBDRO Cn1cnc([N+](=O)[O-])c1CN1CC(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001030888140 730652337 /nfs/dbraw/zinc/65/23/37/730652337.db2.gz PSNGWKZVBSJDAD-UHFFFAOYSA-N 1 0 336.396 -0.030 20 5 EBBDRO CCC[N@H+](C)CCC(=O)NCC1(O)CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001044291215 733360935 /nfs/dbraw/zinc/36/09/35/733360935.db2.gz OEESPWOTRXGTFT-VXGBXAGGSA-N 1 0 342.396 -0.927 20 5 EBBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@@H]2C[N@@H+](CCN3CCCC3=O)C[C@@H]2C1 ZINC001048812165 734519617 /nfs/dbraw/zinc/51/96/17/734519617.db2.gz DHNSMDVOPPZDBY-XJFOESAGSA-N 1 0 336.392 -0.336 20 5 EBBDRO COCCC(=O)NC1CC[NH+](CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001055574941 736389271 /nfs/dbraw/zinc/38/92/71/736389271.db2.gz FKSPCUADDWJWBB-CHWSQXEVSA-N 1 0 342.396 -0.615 20 5 EBBDRO Nc1nc(N2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)ncc1[N+](=O)[O-] ZINC001055861162 736525299 /nfs/dbraw/zinc/52/52/99/736525299.db2.gz RMLZEEUNDIIPEC-UHFFFAOYSA-N 1 0 347.379 -0.289 20 5 EBBDRO C[N@H+](CC(=O)N(CCO)CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CCC1 ZINC001057903377 737522124 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RDGOOMZIRQYLMX-UHFFFAOYSA-N 1 0 338.324 -0.459 20 5 EBBDRO O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c1 ZINC001118566355 826960463 /nfs/dbraw/zinc/96/04/63/826960463.db2.gz JNDUBTFJTUOCPQ-CABCVRRESA-N 1 0 339.396 -0.317 20 5 EBBDRO CN(CCOCC[NH3+])C(=O)C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001118902459 827021818 /nfs/dbraw/zinc/02/18/18/827021818.db2.gz LNMWDSYMDIRRDW-UHFFFAOYSA-N 1 0 336.348 -0.129 20 5 EBBDRO O=C(C[NH2+]CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])NC(=O)NC1CCCC1 ZINC001126936431 828233874 /nfs/dbraw/zinc/23/38/74/828233874.db2.gz HKMZCHNVAUGCBM-GHMZBOCLSA-N 1 0 341.368 -0.874 20 5 EBBDRO CC1(C)NC(=O)N(CCC[NH2+]CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1=O ZINC001126948521 828235010 /nfs/dbraw/zinc/23/50/10/828235010.db2.gz BNRRCAVZDLXIMX-NXEZZACHSA-N 1 0 341.368 -0.922 20 5 EBBDRO CNS(=O)(=O)CCC(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001127092713 828251070 /nfs/dbraw/zinc/25/10/70/828251070.db2.gz RVRLBBVFHJNNFL-UHFFFAOYSA-N 1 0 344.393 -0.260 20 5 EBBDRO O=C(Cn1ccc(=O)[nH]c1=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001130944350 828999390 /nfs/dbraw/zinc/99/93/90/828999390.db2.gz KIGVHXVCYOJAEP-UHFFFAOYSA-N 1 0 347.331 -0.237 20 5 EBBDRO Cn1c(=O)[nH]cc(C(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)c1=O ZINC001132239934 829389946 /nfs/dbraw/zinc/38/99/46/829389946.db2.gz XPFMSPBCWVCRGN-UHFFFAOYSA-N 1 0 347.331 -0.086 20 5 EBBDRO O=C(CN1CCC(=O)NC1=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001146879023 830236122 /nfs/dbraw/zinc/23/61/22/830236122.db2.gz QJMDDWWRGVTYPT-UHFFFAOYSA-N 1 0 349.347 -0.258 20 5 EBBDRO Cc1nn(CC(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)c(=O)n1C ZINC001149570830 830698193 /nfs/dbraw/zinc/69/81/93/830698193.db2.gz BMCYAPCIBJESOK-UHFFFAOYSA-N 1 0 348.363 -0.296 20 5 EBBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCCNC(=O)CN1CCCC1=O ZINC001154494718 831342180 /nfs/dbraw/zinc/34/21/80/831342180.db2.gz RHXSMBNKKVYPFN-UHFFFAOYSA-N 1 0 338.368 -0.453 20 5 EBBDRO CCCC(=O)NCC(=O)NCCC[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC001155279307 831396947 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EBBDRO COc1nc(SC)nc(N(C)S(=O)(=O)CC[NH3+])c1[N+](=O)[O-] ZINC001164286782 832180927 /nfs/dbraw/zinc/18/09/27/832180927.db2.gz AENXUCOGWVWGAH-UHFFFAOYSA-N 1 0 337.383 -0.160 20 5 EBBDRO C[NH+](C)CCOc1cc(NC(CO)(CO)CO)ccc1[N+](=O)[O-] ZINC001167930471 832384097 /nfs/dbraw/zinc/38/40/97/832384097.db2.gz LIZPJJXBOPZKBO-UHFFFAOYSA-N 1 0 329.353 -0.337 20 5 EBBDRO Cc1nonc1CC(=O)NCCC[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC001169870615 832480790 /nfs/dbraw/zinc/48/07/90/832480790.db2.gz OZQKUTIIBZXFKM-UHFFFAOYSA-N 1 0 337.340 -0.142 20 5 EBBDRO CC[N+](C)(C)Cc1ccccc1N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O ZINC001169975002 832485664 /nfs/dbraw/zinc/48/56/64/832485664.db2.gz DCEKUGPUVMXIQO-HHARLNAUSA-N 1 0 341.428 -0.505 20 5 EBBDRO CCN(CCNC(=O)C1CC[NH+](C)CC1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001356116429 832601291 /nfs/dbraw/zinc/60/12/91/832601291.db2.gz KOKKPEHLXAFUPQ-CHWSQXEVSA-N 1 0 326.397 -0.042 20 5 EBBDRO COC(=O)COc1ccc(C[NH2+]C[C@@H](O)[C@H](C)O)cc1[N+](=O)[O-] ZINC001179274853 832965583 /nfs/dbraw/zinc/96/55/83/832965583.db2.gz UJFVEYLAOQRFOQ-JOYOIKCWSA-N 1 0 328.321 -0.022 20 5 EBBDRO CCNC(=O)NC(=O)C[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001200462283 835970450 /nfs/dbraw/zinc/97/04/50/835970450.db2.gz WAZAGNPBUJQPQO-GHMZBOCLSA-N 1 0 341.368 -0.922 20 5 EBBDRO CCOCCNC(=O)C[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001200462355 835971118 /nfs/dbraw/zinc/97/11/18/835971118.db2.gz XRJHGKYFXUAWNM-CHWSQXEVSA-N 1 0 342.396 -0.615 20 5 EBBDRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC001319458159 838131920 /nfs/dbraw/zinc/13/19/20/838131920.db2.gz KYPZCGNGRYFLRL-WOPDTQHZSA-N 1 0 338.368 -0.104 20 5 EBBDRO O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)c1[nH]ncc1[N+](=O)[O-] ZINC001319612238 838157927 /nfs/dbraw/zinc/15/79/27/838157927.db2.gz PPWZTVSWCKYVIB-NSHDSACASA-N 1 0 338.368 -0.546 20 5 EBBDRO O=C(NCCn1cc([N+](=O)[O-])cn1)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC001324280867 839621721 /nfs/dbraw/zinc/62/17/21/839621721.db2.gz QYHVZSYXXMKZOW-JTQLQIEISA-N 1 0 336.352 -0.740 20 5 EBBDRO CS(=O)(=O)N1CC[C@H](C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC001325844406 839954238 /nfs/dbraw/zinc/95/42/38/839954238.db2.gz STVMTXXTNGTDEY-PWSUYJOCSA-N 1 0 347.397 -0.977 20 5 EBBDRO Cn1cc(C(=O)N(CCO)CC[NH2+]Cc2cccc([N+](=O)[O-])c2)nn1 ZINC001326020411 840005181 /nfs/dbraw/zinc/00/51/81/840005181.db2.gz AYIVJJGMIRFFJM-UHFFFAOYSA-N 1 0 348.363 -0.052 20 5 EBBDRO O=C(CN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)N1CC[NH2+]CC1 ZINC001326392434 840098403 /nfs/dbraw/zinc/09/84/03/840098403.db2.gz ZKXOGSGOVIPESF-LBPRGKRZSA-N 1 0 334.380 -0.092 20 5 EBBDRO COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC001326611830 840150222 /nfs/dbraw/zinc/15/02/22/840150222.db2.gz LZGQMUCFCXYWCY-JTQLQIEISA-N 1 0 338.320 -0.880 20 5 EBBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@H](CCO)C2CCOCC2)c1 ZINC001327004749 840268913 /nfs/dbraw/zinc/26/89/13/840268913.db2.gz WAOJMXQSPNMWNZ-UONOGXRCSA-N 1 0 328.369 -0.081 20 5 EBBDRO [NH3+]C1(CNC(=O)C(=O)NCc2cccc([N+](=O)[O-])c2)CCOCC1 ZINC001331581161 841430623 /nfs/dbraw/zinc/43/06/23/841430623.db2.gz BCAWLXORRQNYTE-UHFFFAOYSA-N 1 0 336.348 -0.165 20 5 EBBDRO CC(C)[N@H+](C)CC(=O)N1CC(CCO)(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001334612885 842097723 /nfs/dbraw/zinc/09/77/23/842097723.db2.gz PIHVTZSFMSRHEE-VXGBXAGGSA-N 1 0 342.396 -0.929 20 5 EBBDRO CC[NH+](CC)CC[C@H](CO)NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC001339802300 842943632 /nfs/dbraw/zinc/94/36/32/842943632.db2.gz INWSWCPEYZIMRF-GFCCVEGCSA-N 1 0 340.380 -0.035 20 5 EBBDRO COCCn1c(C[N+](=O)[O-])nnc1N1CCN2CCOC[C@@H]2C1 ZINC001343164941 843202914 /nfs/dbraw/zinc/20/29/14/843202914.db2.gz CNFJBAOQXHPFEG-NSHDSACASA-N 1 0 326.357 -0.778 20 5 EBBDRO C[C@H]1C[C@@H](NC(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)CC[N@@H+]1C ZINC001346275995 843495999 /nfs/dbraw/zinc/49/59/99/843495999.db2.gz GFXBNJDVXYXGOU-QWRGUYRKSA-N 1 0 338.368 -0.494 20 5 EBBDRO O=C(CN1CC(=O)NC1=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001135440568 1128136613 /nfs/dbraw/zinc/13/66/13/1128136613.db2.gz OCXYDYJZTJZINE-UHFFFAOYSA-N 1 0 335.320 -0.648 20 5 EBBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)NC[C@]1(O)C[NH+]2CCC1CC2 ZINC000558034259 375892969 /nfs/dbraw/zinc/89/29/69/375892969.db2.gz CKRKMEGCVDWCNP-HNNXBMFYSA-N 1 0 336.348 -0.671 20 5 EBBDRO CN1CCN(CC(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CC1 ZINC000609547878 375984114 /nfs/dbraw/zinc/98/41/14/375984114.db2.gz LJXNIWWACDCLIW-UHFFFAOYSA-N 1 0 348.407 -0.114 20 5 EBBDRO C[C@H](NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)C(=O)NCC[NH+](C)C ZINC000560561755 376083878 /nfs/dbraw/zinc/08/38/78/376083878.db2.gz KHJXKEAKNUFKDC-QMMMGPOBSA-N 1 0 325.325 -0.509 20 5 EBBDRO Cc1cc(C(=O)NCC(=O)N[C@H](CO)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000588863751 376398020 /nfs/dbraw/zinc/39/80/20/376398020.db2.gz GMTFYMOTKCTXBQ-LBPRGKRZSA-N 1 0 338.364 -0.328 20 5 EBBDRO CC[N@@H+]1CC[C@@H]2OCCN(C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)[C@@H]2C1 ZINC000339395678 376654455 /nfs/dbraw/zinc/65/44/55/376654455.db2.gz MFYNYCXZMMOIBH-KFWWJZLASA-N 1 0 339.396 -0.053 20 5 EBBDRO CS(=O)(=O)NCC[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000340215706 376700216 /nfs/dbraw/zinc/70/02/16/376700216.db2.gz YHGJUQAIVYBULT-LBPRGKRZSA-N 1 0 347.397 -0.834 20 5 EBBDRO Cn1cc(N2CC[C@H]([NH2+]C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2=O)cn1 ZINC000562996413 377069760 /nfs/dbraw/zinc/06/97/60/377069760.db2.gz PWLSOMICFVNPQW-OLZOCXBDSA-N 1 0 349.351 -0.719 20 5 EBBDRO CN(C(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@@H]1CC[NH2+]C1 ZINC000570633441 377263739 /nfs/dbraw/zinc/26/37/39/377263739.db2.gz VIAWJGQGDHLHJN-SNVBAGLBSA-N 1 0 342.377 -0.307 20 5 EBBDRO Cc1nn(CCC(=O)NCC(=O)N2CC[NH2+]CC2)c(C)c1[N+](=O)[O-] ZINC000564835716 377447348 /nfs/dbraw/zinc/44/73/48/377447348.db2.gz XHMLHERQTHIPDC-UHFFFAOYSA-N 1 0 338.368 -0.654 20 5 EBBDRO NC(=O)Cc1ccc(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000591767629 377754870 /nfs/dbraw/zinc/75/48/70/377754870.db2.gz DWUFWRDQYPMSHH-AWEZNQCLSA-N 1 0 333.348 -0.030 20 5 EBBDRO O=C(CC[NH2+][C@@H]1CS(=O)(=O)C[C@H]1O)Nc1ccccc1[N+](=O)[O-] ZINC000592430399 377834806 /nfs/dbraw/zinc/83/48/06/377834806.db2.gz LNNDBGUYQYTMRQ-ZYHUDNBSSA-N 1 0 343.361 -0.329 20 5 EBBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CN(CC[NH+](C)C)C(=O)[C@H]1C ZINC000592880137 377856871 /nfs/dbraw/zinc/85/68/71/377856871.db2.gz NSHXZTABWNKSHF-SNVBAGLBSA-N 1 0 338.368 -0.322 20 5 EBBDRO C[NH+]1CCN(CCNS(=O)(=O)c2ncccc2[N+](=O)[O-])CC1 ZINC000594771782 377952500 /nfs/dbraw/zinc/95/25/00/377952500.db2.gz TWOVMHWGPDZBNF-UHFFFAOYSA-N 1 0 329.382 -0.485 20 5 EBBDRO CCO[C@@H]1CN(S(=O)(=O)c2cn(CC)nc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000593731186 377911001 /nfs/dbraw/zinc/91/10/01/377911001.db2.gz UEBOBVYXMPQHQM-NXEZZACHSA-N 1 0 347.397 -0.205 20 5 EBBDRO [NH3+]CCN(Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C[C@H](O)CO ZINC000595901198 378033963 /nfs/dbraw/zinc/03/39/63/378033963.db2.gz DMFWAFQYSOIYOX-LBPRGKRZSA-N 1 0 337.336 -0.241 20 5 EBBDRO C[NH2+]C[C@H](C)NC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000595985119 378046636 /nfs/dbraw/zinc/04/66/36/378046636.db2.gz XBZIBZHPCDKJEH-VIFPVBQESA-N 1 0 330.366 -0.403 20 5 EBBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000596581418 378065348 /nfs/dbraw/zinc/06/53/48/378065348.db2.gz YBGQTJBVFYSTCI-NSHDSACASA-N 1 0 348.359 -0.086 20 5 EBBDRO NC(=O)C1([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CCOCC1 ZINC000595728126 378026038 /nfs/dbraw/zinc/02/60/38/378026038.db2.gz JNDOJTJYSFZVBM-NSHDSACASA-N 1 0 339.348 -0.041 20 5 EBBDRO O=C(NCCCN1CC[NH2+]CC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598914495 378185990 /nfs/dbraw/zinc/18/59/90/378185990.db2.gz GMTVKZIIXBVRRU-UHFFFAOYSA-N 1 0 335.364 -0.055 20 5 EBBDRO COC[C@](C)([NH3+])CNc1ncnc(N2CCOCC2)c1[N+](=O)[O-] ZINC000598598801 378172419 /nfs/dbraw/zinc/17/24/19/378172419.db2.gz VZMDUESUYNAWDY-CYBMUJFWSA-N 1 0 326.357 -0.003 20 5 EBBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@H](CO)CN2CCCCC2)c1 ZINC000567872757 378264756 /nfs/dbraw/zinc/26/47/56/378264756.db2.gz GETHJUNYWSZPNC-JSGCOSHPSA-N 1 0 327.385 -0.411 20 5 EBBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)n1 ZINC000567834826 378253759 /nfs/dbraw/zinc/25/37/59/378253759.db2.gz IDIZFJJOEXJQJB-JTQLQIEISA-N 1 0 338.368 -0.262 20 5 EBBDRO CN1CCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)[C@@H](C[NH3+])C1 ZINC000570635723 378511172 /nfs/dbraw/zinc/51/11/72/378511172.db2.gz UBWTVBDHMLZYFY-ZDUSSCGKSA-N 1 0 328.394 -0.001 20 5 EBBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000572000533 378565432 /nfs/dbraw/zinc/56/54/32/378565432.db2.gz WWINRVOWMKXLNK-QWRGUYRKSA-N 1 0 340.384 -0.068 20 5 EBBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@@H](CO)Cc2cccnc2)c1 ZINC000570928211 378533738 /nfs/dbraw/zinc/53/37/38/378533738.db2.gz WIFVJIQCPTUWBI-DZGCQCFKSA-N 1 0 335.364 -0.012 20 5 EBBDRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000069501398 379084923 /nfs/dbraw/zinc/08/49/23/379084923.db2.gz ASKCVTAGHONBTL-GFCCVEGCSA-N 1 0 338.364 -0.017 20 5 EBBDRO CN1CCN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)[C@H](C[NH3+])C1 ZINC000388108456 379205547 /nfs/dbraw/zinc/20/55/47/379205547.db2.gz YPIIXQPOVAHMAD-CYBMUJFWSA-N 1 0 328.394 -0.001 20 5 EBBDRO CN1CC[N@H+](C)C[C@H]1CNc1cccc(S(N)(=O)=O)c1[N+](=O)[O-] ZINC000273499488 379191154 /nfs/dbraw/zinc/19/11/54/379191154.db2.gz RKBMSNJDLYUBAK-SNVBAGLBSA-N 1 0 343.409 -0.100 20 5 EBBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000619873796 379381544 /nfs/dbraw/zinc/38/15/44/379381544.db2.gz WJNMGNVXHWMOFS-CYBMUJFWSA-N 1 0 335.364 -0.737 20 5 EBBDRO O=C(N[C@H]1CC[NH2+]C1)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000419893322 379348637 /nfs/dbraw/zinc/34/86/37/379348637.db2.gz VFWHOLCLCZWUPL-LBPRGKRZSA-N 1 0 347.375 -0.279 20 5 EBBDRO [NH3+]C[C@@H]1CN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000274798674 379458833 /nfs/dbraw/zinc/45/88/33/379458833.db2.gz OOFJQQDTFMGSII-CYBMUJFWSA-N 1 0 336.348 -0.099 20 5 EBBDRO C[NH+]1CCN(CCNc2ccc([N+](=O)[O-])cc2S(N)(=O)=O)CC1 ZINC000280250744 379510213 /nfs/dbraw/zinc/51/02/13/379510213.db2.gz BNGDXHUARMNWCH-UHFFFAOYSA-N 1 0 343.409 -0.099 20 5 EBBDRO C[C@@H]1CN(c2cc([N+](=O)[O-])ccc2S(N)(=O)=O)CCN1CCO ZINC000490075753 379562649 /nfs/dbraw/zinc/56/26/49/379562649.db2.gz ZEPAZDNXWIIMGH-SNVBAGLBSA-N 1 0 344.393 -0.255 20 5 EBBDRO CCn1cc(S(=O)(=O)N2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)c([N+](=O)[O-])n1 ZINC000600669183 379658005 /nfs/dbraw/zinc/65/80/05/379658005.db2.gz IXNHISIEFAZOIL-JZYVYDRUSA-N 1 0 329.382 -0.008 20 5 EBBDRO CCN(CC[NH3+])C(=O)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000600796494 379661426 /nfs/dbraw/zinc/66/14/26/379661426.db2.gz IEVQMTWEBFNBIN-UHFFFAOYSA-N 1 0 338.368 -0.238 20 5 EBBDRO CCNS(=O)(=O)[C@H]1CC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000271362742 379754762 /nfs/dbraw/zinc/75/47/62/379754762.db2.gz PYUIBMMLVNYVIW-NEPJUHHUSA-N 1 0 347.397 -0.834 20 5 EBBDRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000444382866 379846647 /nfs/dbraw/zinc/84/66/47/379846647.db2.gz HEYSRHMNKRTSCQ-JTQLQIEISA-N 1 0 326.357 -0.510 20 5 EBBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000444692921 380346552 /nfs/dbraw/zinc/34/65/52/380346552.db2.gz FXRXXFQEMHDERK-TXEJJXNPSA-N 1 0 325.321 -0.031 20 5 EBBDRO O=C(CCOc1ccccc1[N+](=O)[O-])NCC(=O)N1CC[NH2+]CC1 ZINC000580552229 380793836 /nfs/dbraw/zinc/79/38/36/380793836.db2.gz AFOUKTJEIJYPIJ-UHFFFAOYSA-N 1 0 336.348 -0.088 20 5 EBBDRO COCCO[C@@H]1COCC[C@H]1[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000581246980 381062744 /nfs/dbraw/zinc/06/27/44/381062744.db2.gz XTOSWIJRXIODHF-MGPQQGTHSA-N 1 0 344.368 -0.438 20 5 EBBDRO NC(=O)[C@@H]1CC[C@H](C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)O1 ZINC000581365165 381070329 /nfs/dbraw/zinc/07/03/29/381070329.db2.gz HTHFCJQPEJDEQV-BNOWGMLFSA-N 1 0 339.348 -0.043 20 5 EBBDRO CNC(=O)NC(=O)CC[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000026597512 381122936 /nfs/dbraw/zinc/12/29/36/381122936.db2.gz XKXNRKUECBPXLL-UHFFFAOYSA-N 1 0 336.352 -0.043 20 5 EBBDRO C[C@@H]([NH3+])[C@@H](C)C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000262463683 154232168 /nfs/dbraw/zinc/23/21/68/154232168.db2.gz KWYIKIAYXQFJQR-NXEZZACHSA-N 1 0 344.393 -0.027 20 5 EBBDRO C[NH2+]CCNC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000262575415 154238292 /nfs/dbraw/zinc/23/82/92/154238292.db2.gz JCAMHRSIAFNTFH-UHFFFAOYSA-N 1 0 330.366 -0.449 20 5 EBBDRO O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(C(=O)[C@@H]2C[NH2+]CCO2)CC1 ZINC000262640522 154240549 /nfs/dbraw/zinc/24/05/49/154240549.db2.gz RDEWZSOBLSVVFF-AWEZNQCLSA-N 1 0 348.359 -0.132 20 5 EBBDRO O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CC[NH2+]C1 ZINC000262630937 154241179 /nfs/dbraw/zinc/24/11/79/154241179.db2.gz WGRAKBKZHXQDOP-JTQLQIEISA-N 1 0 342.377 -0.401 20 5 EBBDRO NC(=O)c1cc([N+](=O)[O-])cnc1NCCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000264620845 154286656 /nfs/dbraw/zinc/28/66/56/154286656.db2.gz RMPUCYYQXWQTHH-LLVKDONJSA-N 1 0 336.352 -0.160 20 5 EBBDRO C[C@H](C[NH+](C)C)NC(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000346271770 156394230 /nfs/dbraw/zinc/39/42/30/156394230.db2.gz RAEFYYJUAOFOHQ-MRVPVSSYSA-N 1 0 330.366 -0.078 20 5 EBBDRO CN1CCN(c2cc[nH+]cc2NC(=O)Cn2cnc([N+](=O)[O-])n2)CC1 ZINC000516207967 419087977 /nfs/dbraw/zinc/08/79/77/419087977.db2.gz NZKZBXNUELSHLG-UHFFFAOYSA-N 1 0 346.351 -0.028 20 5 EBBDRO NC(=O)[C@]1([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCOC1 ZINC000514611848 419061248 /nfs/dbraw/zinc/06/12/48/419061248.db2.gz MAHASPWFRIARAQ-YGRLFVJLSA-N 1 0 325.321 -0.432 20 5 EBBDRO O=C(N[C@H]1CC[NH2+]C1)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000514736603 419061503 /nfs/dbraw/zinc/06/15/03/419061503.db2.gz NPWVZZSFYFRSNG-JTQLQIEISA-N 1 0 336.352 -0.567 20 5 EBBDRO COC(=O)[C@@H]1CN(C(=O)Cn2cc([N+](=O)[O-])nc2C)CC[N@H+](C)C1 ZINC000413918116 419320877 /nfs/dbraw/zinc/32/08/77/419320877.db2.gz KUKXLEDQVYCULA-NSHDSACASA-N 1 0 339.352 -0.337 20 5 EBBDRO C[C@@H]1CN(C(=O)C(=O)NCCOc2ccc([N+](=O)[O-])cc2)C[C@H]1[NH3+] ZINC000519690626 419601656 /nfs/dbraw/zinc/60/16/56/419601656.db2.gz LWKNUDOANFPATM-ZWNOBZJWSA-N 1 0 336.348 -0.105 20 5 EBBDRO CN(CCO)c1ccc(S(=O)(=O)NCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000298201544 420831140 /nfs/dbraw/zinc/83/11/40/420831140.db2.gz KKFQGCHBMGLDRC-UHFFFAOYSA-N 1 0 346.409 -0.137 20 5 EBBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@@H]1CS(=O)(=O)C[C@H]1O ZINC000521874969 420898760 /nfs/dbraw/zinc/89/87/60/420898760.db2.gz JVCDVAMDAFCEPT-HOSYDEDBSA-N 1 0 346.361 -0.918 20 5 EBBDRO COC(=O)N1CCC([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000497033796 420948138 /nfs/dbraw/zinc/94/81/38/420948138.db2.gz IXQRQZDLJFBCAA-GFCCVEGCSA-N 1 0 327.341 -0.027 20 5 EBBDRO C[C@H](CC[NH3+])NC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000423500096 265008086 /nfs/dbraw/zinc/00/80/86/265008086.db2.gz CSHDKWPTABUTSY-SECBINFHSA-N 1 0 330.366 -0.273 20 5 EBBDRO [NH3+][C@@H]1CCN(C(=O)C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000423578785 265014895 /nfs/dbraw/zinc/01/48/95/265014895.db2.gz MMDOCUYTJQDCEA-SNVBAGLBSA-N 1 0 334.332 -0.256 20 5 EBBDRO O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1cc([N+](=O)[O-])n[nH]1 ZINC000423634578 265024121 /nfs/dbraw/zinc/02/41/21/265024121.db2.gz QTEKSFHMZWPWJG-QMMMGPOBSA-N 1 0 336.274 -0.116 20 5 EBBDRO COC(=O)[C@@H](O)C1CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000441237207 265303466 /nfs/dbraw/zinc/30/34/66/265303466.db2.gz VYPAVOQPKBCAIU-OLZOCXBDSA-N 1 0 342.352 -0.602 20 5 EBBDRO C[NH+](C)[C@H]1CN(c2cccc(S(N)(=O)=O)c2[N+](=O)[O-])C[C@@H]1O ZINC000365802333 289395627 /nfs/dbraw/zinc/39/56/27/289395627.db2.gz TZJBXKUQEXODKP-UWVGGRQHSA-N 1 0 330.366 -0.647 20 5 EBBDRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)COC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000840672242 582626506 /nfs/dbraw/zinc/62/65/06/582626506.db2.gz HLXAYTDQYNGBKW-YNEHKIRRSA-N 1 0 343.380 -0.332 20 5 EBBDRO C[C@@H](O)C[NH+]1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 ZINC000736146592 582920526 /nfs/dbraw/zinc/92/05/26/582920526.db2.gz IOAQNWBTGBWCEQ-SECBINFHSA-N 1 0 334.340 -0.327 20 5 EBBDRO CCNS(=O)(=O)CC[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000819043207 583754195 /nfs/dbraw/zinc/75/41/95/583754195.db2.gz QDFVSBHCKGBRBO-LLVKDONJSA-N 1 0 347.393 -0.137 20 5 EBBDRO O=[N+]([O-])c1cnn(CC[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000819176036 583755756 /nfs/dbraw/zinc/75/57/56/583755756.db2.gz GNUWWHXOJCEGCR-LLVKDONJSA-N 1 0 325.285 -0.453 20 5 EBBDRO C[N@@H+]1CCO[C@H]2CN(c3ncc([N+](=O)[O-])cc3-c3nn[nH]n3)C[C@@H]21 ZINC000821628578 583797314 /nfs/dbraw/zinc/79/73/14/583797314.db2.gz LRIFZTJQYJUANZ-QWRGUYRKSA-N 1 0 332.324 -0.311 20 5 EBBDRO C[NH2+]CCCNC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000842225161 584060928 /nfs/dbraw/zinc/06/09/28/584060928.db2.gz TUPWHFDJVMVZJJ-UHFFFAOYSA-N 1 0 349.391 -0.031 20 5 EBBDRO O=C(C[NH2+]C(CO)CO)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000846942448 584133073 /nfs/dbraw/zinc/13/30/73/584133073.db2.gz UWGJYQRDRKXSEB-UHFFFAOYSA-N 1 0 338.364 -0.814 20 5 EBBDRO O=C1c2ccc([N+](=O)[O-])cc2S(=O)(=O)N1C[C@@H]1C[NH2+]CCO1 ZINC000849240070 584167393 /nfs/dbraw/zinc/16/73/93/584167393.db2.gz DNQYQHBGDNYBNL-VIFPVBQESA-N 1 0 327.318 -0.272 20 5 EBBDRO COc1nc(N2C[C@H]3OCC[N@H+](C)[C@H]3C2)nc(OC)c1[N+](=O)[O-] ZINC001164668437 719392487 /nfs/dbraw/zinc/39/24/87/719392487.db2.gz RMRYWSZNSXYWOB-DTWKUNHWSA-N 1 0 325.325 -0.079 20 5 EBBDRO Cn1cnc([N+](=O)[O-])c1CN1CC(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001032130671 730816787 /nfs/dbraw/zinc/81/67/87/730816787.db2.gz YDUZYOYETAWOBI-UHFFFAOYSA-N 1 0 348.407 -0.028 20 5 EBBDRO O=C(NCC[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)c1cc[nH]c1 ZINC001055589834 736395804 /nfs/dbraw/zinc/39/58/04/736395804.db2.gz QYVUEJGCLJGADA-ZIAGYGMSSA-N 1 0 349.391 -0.010 20 5 EBBDRO O=C(NC1CN(C(=O)c2ccc3c[nH+]cn3c2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000991289934 809244706 /nfs/dbraw/zinc/24/47/06/809244706.db2.gz INISIMVGRGWROX-CHWSQXEVSA-N 1 0 329.316 -0.060 20 5 EBBDRO CN(CC[NH2+]Cc1c([N+](=O)[O-])ncn1C)C(=O)c1cc(=O)n(C)cn1 ZINC001266728736 813653986 /nfs/dbraw/zinc/65/39/86/813653986.db2.gz JNKSPUHBYMVMBV-UHFFFAOYSA-N 1 0 349.351 -0.716 20 5 EBBDRO C[N@H+](CCNC(=O)CN1C(=O)CNC1=O)Cc1ccc([N+](=O)[O-])cc1 ZINC001267229274 813796040 /nfs/dbraw/zinc/79/60/40/813796040.db2.gz KZDOGZMFWHREDS-UHFFFAOYSA-N 1 0 349.347 -0.305 20 5 EBBDRO COc1cnc(C(=O)N(C)CC[NH2+]Cc2c([N+](=O)[O-])ncn2C)nc1 ZINC001267400260 813878901 /nfs/dbraw/zinc/87/89/01/813878901.db2.gz IJLBKVUKEMDDIK-UHFFFAOYSA-N 1 0 349.351 -0.011 20 5 EBBDRO CC(=O)NC(C)(C)C(=O)N(C)CC[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC001267441030 813895163 /nfs/dbraw/zinc/89/51/63/813895163.db2.gz IQOMLCAZHSEOLM-UHFFFAOYSA-N 1 0 340.384 -0.209 20 5 EBBDRO Nc1nc(NCCCNC(=O)C23CC[NH+](CC2)C3)ncc1[N+](=O)[O-] ZINC001094506233 818279640 /nfs/dbraw/zinc/27/96/40/818279640.db2.gz ZRZRNPYWTSLDES-UHFFFAOYSA-N 1 0 335.368 -0.019 20 5 EBBDRO COC[C@]1(C[NH+](C)C)COCCN1C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC001288227771 820272154 /nfs/dbraw/zinc/27/21/54/820272154.db2.gz YCOVQRKKXIEUBX-CQSZACIVSA-N 1 0 341.368 -0.253 20 5 EBBDRO NC(=O)C[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001105423209 821748134 /nfs/dbraw/zinc/74/81/34/821748134.db2.gz JELWFDNFXLMNGW-WBOJAVRRSA-N 1 0 346.387 -0.057 20 5 EBBDRO C[N@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC1CCS(=O)(=O)CC1 ZINC001316823270 821868241 /nfs/dbraw/zinc/86/82/41/821868241.db2.gz GMPKBRXGBPIOBU-CHWSQXEVSA-N 1 0 347.437 -0.086 20 5 EBBDRO CC(C)[NH+]1CCC(O)(CNC(=O)Cn2cnc([N+](=O)[O-])n2)CC1 ZINC001116273601 826609012 /nfs/dbraw/zinc/60/90/12/826609012.db2.gz KMMVGESSBYXONT-UHFFFAOYSA-N 1 0 326.357 -0.462 20 5 EBBDRO Cn1cc([N+](=O)[O-])c(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)n1 ZINC001116467738 826621531 /nfs/dbraw/zinc/62/15/31/826621531.db2.gz PJTGSXAOWLVYDD-SNVBAGLBSA-N 1 0 338.368 -0.355 20 5 EBBDRO CCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC001118646207 826974500 /nfs/dbraw/zinc/97/45/00/826974500.db2.gz ZCXHVOWHMBCSID-NSHDSACASA-N 1 0 338.368 -0.492 20 5 EBBDRO CS(=O)(=O)CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 ZINC001121082279 827292975 /nfs/dbraw/zinc/29/29/75/827292975.db2.gz YWVNKTXJEUEXRD-VTRUDKGBSA-N 1 0 345.421 -0.287 20 5 EBBDRO O=C(C[NH2+]CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])N1CCc2ccccc21 ZINC001126938704 828234363 /nfs/dbraw/zinc/23/43/63/828234363.db2.gz HQHSIFBIAQPKQB-TZMCWYRMSA-N 1 0 332.360 -0.053 20 5 EBBDRO Cc1cccc(CNC(=O)C[NH2+]CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC001126939382 828235372 /nfs/dbraw/zinc/23/53/72/828235372.db2.gz WASFYAVTBZAPPI-ZIAGYGMSSA-N 1 0 334.376 -0.018 20 5 EBBDRO NS(=O)(=O)CCCC(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001133148112 829592364 /nfs/dbraw/zinc/59/23/64/829592364.db2.gz GPZHPBXBLNRVQE-UHFFFAOYSA-N 1 0 344.393 -0.131 20 5 EBBDRO NS(=O)(=O)CCCC(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001133148429 829593022 /nfs/dbraw/zinc/59/30/22/829593022.db2.gz URSFEODRWBLELV-UHFFFAOYSA-N 1 0 344.393 -0.131 20 5 EBBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCCNC(=O)CCn1cncn1 ZINC001154697163 831358847 /nfs/dbraw/zinc/35/88/47/831358847.db2.gz YKPQFDOQLKXDDZ-UHFFFAOYSA-N 1 0 336.356 -0.394 20 5 EBBDRO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCC[N@H+](C)CCO ZINC001155251616 831395390 /nfs/dbraw/zinc/39/53/90/831395390.db2.gz TVYZIUQHBAPGAW-LLVKDONJSA-N 1 0 342.400 -0.132 20 5 EBBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCCNC(=O)c1nccnc1N ZINC001155950806 831443840 /nfs/dbraw/zinc/44/38/40/831443840.db2.gz KAUYSMHDDKWDRT-UHFFFAOYSA-N 1 0 334.340 -0.390 20 5 EBBDRO CN1C[C@@H](Nc2ncnc(N3CC[NH2+]CC3)c2[N+](=O)[O-])CCC1=O ZINC001156562249 831481918 /nfs/dbraw/zinc/48/19/18/831481918.db2.gz IJXNVYINRGXDCE-JTQLQIEISA-N 1 0 335.368 -0.173 20 5 EBBDRO CNC(=O)NCCC(=O)NCCC[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC001157502858 831573128 /nfs/dbraw/zinc/57/31/28/831573128.db2.gz ZPJXZMZXRMCCEZ-UHFFFAOYSA-N 1 0 341.372 -0.757 20 5 EBBDRO CCS(=O)(=O)NCCC[NH2+]CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157767401 831592108 /nfs/dbraw/zinc/59/21/08/831592108.db2.gz LVTWLAPWJJCWNS-GHMZBOCLSA-N 1 0 336.414 -0.923 20 5 EBBDRO CC(C)OCCCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157775314 831592348 /nfs/dbraw/zinc/59/23/48/831592348.db2.gz OPZDSZATLFRJDM-CHWSQXEVSA-N 1 0 344.412 -0.321 20 5 EBBDRO Cn1ccc(CC(=O)NCCC[NH2+]Cc2c([N+](=O)[O-])ncn2C)n1 ZINC001157808619 831593961 /nfs/dbraw/zinc/59/39/61/831593961.db2.gz HQUMKCXBVWSFCR-UHFFFAOYSA-N 1 0 335.368 -0.100 20 5 EBBDRO COC(=O)[C@@]1(C)COCCN1c1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1 ZINC001158304802 831645118 /nfs/dbraw/zinc/64/51/18/831645118.db2.gz NMXZMNLFJMIJNE-CQSZACIVSA-N 1 0 337.336 -0.160 20 5 EBBDRO COC(=O)c1nc(Cl)nc(N[C@@H]2C[NH2+]C[C@@H]2CO)c1[N+](=O)[O-] ZINC001159672564 831771685 /nfs/dbraw/zinc/77/16/85/831771685.db2.gz QDERGIYRQJYAPW-PHDIDXHHSA-N 1 0 331.716 -0.183 20 5 EBBDRO COC(=O)c1nc(Cl)nc(N[C@H]2C[NH2+]C[C@@H]2CO)c1[N+](=O)[O-] ZINC001159672565 831772052 /nfs/dbraw/zinc/77/20/52/831772052.db2.gz QDERGIYRQJYAPW-RITPCOANSA-N 1 0 331.716 -0.183 20 5 EBBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCCNC(=O)c1ccc(=O)n(C)c1 ZINC001161730085 831987233 /nfs/dbraw/zinc/98/72/33/831987233.db2.gz LPPMHTCREWJSEE-UHFFFAOYSA-N 1 0 348.363 -0.063 20 5 EBBDRO CS(=O)(=O)c1nc(Cl)c([N+](=O)[O-])c(N[C@@H]2COC[C@@H]2[NH3+])n1 ZINC001162917330 832071365 /nfs/dbraw/zinc/07/13/65/832071365.db2.gz MIMQJGIVUZEEOH-CRCLSJGQSA-N 1 0 337.745 -0.420 20 5 EBBDRO COC(=O)c1cc(C)nc(N(C)S(=O)(=O)CC[NH3+])c1[N+](=O)[O-] ZINC001164292688 832181440 /nfs/dbraw/zinc/18/14/40/832181440.db2.gz YCQKJHRSPYPSNS-UHFFFAOYSA-N 1 0 332.338 -0.190 20 5 EBBDRO COc1nc(C)c([N+](=O)[O-])c(N2CC(=O)NC3(CC[NH2+]CC3)C2)n1 ZINC001165256144 832208379 /nfs/dbraw/zinc/20/83/79/832208379.db2.gz MKBYQOHXYSNXHU-UHFFFAOYSA-N 1 0 336.352 -0.240 20 5 EBBDRO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2C[C@H]3C[NH2+]C[C@@]3(CO)C2)n1 ZINC001165283764 832210864 /nfs/dbraw/zinc/21/08/64/832210864.db2.gz ATTZVCJNGFLDFG-YGRLFVJLSA-N 1 0 336.352 -0.330 20 5 EBBDRO COC(=O)[C@@H]1C[NH2+]CCN1c1nc(OC)c([N+](=O)[O-])c(OC)n1 ZINC001165438164 832219816 /nfs/dbraw/zinc/21/98/16/832219816.db2.gz FSBQPLVMDAOACN-ZETCQYMHSA-N 1 0 327.297 -0.647 20 5 EBBDRO O=C(CN1CC(=O)NC1=O)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001168607483 832428720 /nfs/dbraw/zinc/42/87/20/832428720.db2.gz UHVGLXGCEYPAKR-UHFFFAOYSA-N 1 0 349.347 -0.258 20 5 EBBDRO CNC(=O)CN1CCO[C@H]2C[N@@H+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C[C@H]21 ZINC001169026640 832444173 /nfs/dbraw/zinc/44/41/73/832444173.db2.gz YFUDWCJIKOLSDZ-SYQHCUMBSA-N 1 0 326.397 -0.437 20 5 EBBDRO CNS(=O)(=O)CC(=O)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001176336535 832667747 /nfs/dbraw/zinc/66/77/47/832667747.db2.gz OYXJAIZUFMGXIF-UHFFFAOYSA-N 1 0 344.393 -0.260 20 5 EBBDRO CCS(=O)(=O)NCC[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001200470964 835971928 /nfs/dbraw/zinc/97/19/28/835971928.db2.gz BFYZLILXALHVNW-VXGBXAGGSA-N 1 0 348.425 -0.829 20 5 EBBDRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)c2c[nH]nc2[N+](=O)[O-])CC1 ZINC001325233911 839824597 /nfs/dbraw/zinc/82/45/97/839824597.db2.gz PMUBMFSXXNQCQB-UHFFFAOYSA-N 1 0 338.368 -0.010 20 5 EBBDRO Cn1nccc1C[NH2+]CC1(O)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001328167263 840609137 /nfs/dbraw/zinc/60/91/37/840609137.db2.gz QETSDZNPGKWHOZ-CHWSQXEVSA-N 1 0 337.380 -0.472 20 5 EBBDRO O=C(Cn1cc([N+](=O)[O-])cc(Br)c1=O)N1CC[NH2+]CC1 ZINC001329271618 840887159 /nfs/dbraw/zinc/88/71/59/840887159.db2.gz CVLSTYORBBDRBC-UHFFFAOYSA-N 1 0 345.153 -0.049 20 5 EBBDRO CN(CCOCC[NH3+])C(=O)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC001329437563 840919927 /nfs/dbraw/zinc/91/99/27/840919927.db2.gz KTHXTILOAFEJTB-UHFFFAOYSA-N 1 0 338.364 -0.313 20 5 EBBDRO CNC(=O)NC(=O)C[N@H+](C)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001331016097 841313807 /nfs/dbraw/zinc/31/38/07/841313807.db2.gz JZLZNUIPAUFCOI-GHMZBOCLSA-N 1 0 341.368 -0.970 20 5 EBBDRO C[C@]1(CO)C[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@]1(C)CO ZINC001331480442 841414730 /nfs/dbraw/zinc/41/47/30/841414730.db2.gz IFLXFNRAQZPSOB-MCIONIFRSA-N 1 0 328.369 -0.535 20 5 EBBDRO NC(=O)c1cn(C2CC[NH+](CCn3ccc([N+](=O)[O-])n3)CC2)nn1 ZINC001331659530 841451920 /nfs/dbraw/zinc/45/19/20/841451920.db2.gz QTRJQYFQMPISSX-UHFFFAOYSA-N 1 0 334.340 -0.181 20 5 EBBDRO [NH3+][C@]12CCC[C@@H]1CN(C(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1)C2 ZINC001334720372 842120759 /nfs/dbraw/zinc/12/07/59/842120759.db2.gz GDGRXVQWSIJRMJ-YGRLFVJLSA-N 1 0 336.352 -0.753 20 5 EBBDRO C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC001335392027 842272920 /nfs/dbraw/zinc/27/29/20/842272920.db2.gz MUDAHPHHEAMZKU-JTQLQIEISA-N 1 0 336.348 -0.010 20 5 EBBDRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000285579090 375894301 /nfs/dbraw/zinc/89/43/01/375894301.db2.gz KBTNYJUVKMVSNU-LLVKDONJSA-N 1 0 338.368 -0.010 20 5 EBBDRO O=C(CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)N1CC[NH2+]CC1 ZINC000320027972 376188845 /nfs/dbraw/zinc/18/88/45/376188845.db2.gz PIVZHRZXHPDFOI-UHFFFAOYSA-N 1 0 342.377 -0.554 20 5 EBBDRO O=c1[n-]nc([C@H]2CCC[N@@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)o1 ZINC000283915218 376248122 /nfs/dbraw/zinc/24/81/22/376248122.db2.gz GECSOSXSIUUNNH-ONGXEEELSA-N 1 0 338.324 -0.292 20 5 EBBDRO C[C@@H]([NH3+])CNC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000591347764 377710178 /nfs/dbraw/zinc/71/01/78/377710178.db2.gz RUIKYSQAQICTGH-SECBINFHSA-N 1 0 345.381 -0.481 20 5 EBBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CCCN2CCCS2(=O)=O)c1 ZINC000591732537 377753249 /nfs/dbraw/zinc/75/32/49/377753249.db2.gz MLRJNXAGKVJZSN-LBPRGKRZSA-N 1 0 347.397 -0.833 20 5 EBBDRO CCn1cc(S(=O)(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)c([N+](=O)[O-])n1 ZINC000592374285 377822215 /nfs/dbraw/zinc/82/22/15/377822215.db2.gz KESOQTQPBJTWDD-BDAKNGLRSA-N 1 0 333.370 -0.452 20 5 EBBDRO O=[N+]([O-])c1cnn(C[C@@H](O)CNC[C@@H](O)C[NH+]2CCCCC2)c1 ZINC000592429227 377836297 /nfs/dbraw/zinc/83/62/97/377836297.db2.gz ALKZVNJPMRQVKT-KGLIPLIRSA-N 1 0 327.385 -0.411 20 5 EBBDRO CCn1cc(S(=O)(=O)N2CCN(C)C[C@@H]2C[NH3+])c([N+](=O)[O-])n1 ZINC000592983020 377868835 /nfs/dbraw/zinc/86/88/35/377868835.db2.gz QNBKUVMWYNPPOM-VIFPVBQESA-N 1 0 332.386 -0.925 20 5 EBBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]C[C@@H](O)Cn1ccnn1 ZINC000566974224 377889289 /nfs/dbraw/zinc/88/92/89/377889289.db2.gz VENKVYHPKKMQIM-NEPJUHHUSA-N 1 0 337.336 -0.423 20 5 EBBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]C[C@H](O)Cn1ccnn1 ZINC000566974226 377889945 /nfs/dbraw/zinc/88/99/45/377889945.db2.gz VENKVYHPKKMQIM-RYUDHWBXSA-N 1 0 337.336 -0.423 20 5 EBBDRO CC[NH+]1CCN(CCNS(=O)(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000593582608 377895575 /nfs/dbraw/zinc/89/55/75/377895575.db2.gz VHSYLQKQPJOKDS-UHFFFAOYSA-N 1 0 343.409 -0.094 20 5 EBBDRO C[NH+](C)CCN1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)CC1=O ZINC000593897888 377920450 /nfs/dbraw/zinc/92/04/50/377920450.db2.gz KISBUTWIDNGIPR-UHFFFAOYSA-N 1 0 337.336 -0.459 20 5 EBBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)nc1 ZINC000595111693 377975375 /nfs/dbraw/zinc/97/53/75/377975375.db2.gz LVZXAIMCUQQIPC-LBPRGKRZSA-N 1 0 341.393 -0.342 20 5 EBBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)nc1 ZINC000595111692 377975512 /nfs/dbraw/zinc/97/55/12/377975512.db2.gz LVZXAIMCUQQIPC-GFCCVEGCSA-N 1 0 341.393 -0.342 20 5 EBBDRO C[NH2+]C[C@@H](C)NC(=O)C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000595279549 377990490 /nfs/dbraw/zinc/99/04/90/377990490.db2.gz NDPRXERQDMCRCH-MRVPVSSYSA-N 1 0 334.336 -0.189 20 5 EBBDRO Cc1cc(C(=O)NCC(=O)N2CCOC3(C[NH2+]C3)C2)ccc1[N+](=O)[O-] ZINC000596098865 378052769 /nfs/dbraw/zinc/05/27/69/378052769.db2.gz OTKLJLZBQNOKCY-UHFFFAOYSA-N 1 0 348.359 -0.166 20 5 EBBDRO CCO[C@@H]1CN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000599101400 378196802 /nfs/dbraw/zinc/19/68/02/378196802.db2.gz PLZHDWCHHOMBKF-PSASIEDQSA-N 1 0 333.370 -0.687 20 5 EBBDRO C[NH+](C)C[C@H](CO)Nc1ncnc(N2CCOCC2)c1[N+](=O)[O-] ZINC000598626058 378173455 /nfs/dbraw/zinc/17/34/55/378173455.db2.gz YPFMNQUCXDBAGF-SNVBAGLBSA-N 1 0 326.357 -0.444 20 5 EBBDRO [NH3+]C[C@H]1CN(C(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)CCO1 ZINC000598666535 378179110 /nfs/dbraw/zinc/17/91/10/378179110.db2.gz ZTHANVJZOIAINC-LBPRGKRZSA-N 1 0 337.336 -0.098 20 5 EBBDRO O=C1CNC(=O)N1CC[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000571198525 378550669 /nfs/dbraw/zinc/55/06/69/378550669.db2.gz NOQHBBFBWFOLAG-SNVBAGLBSA-N 1 0 338.320 -0.524 20 5 EBBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)c1 ZINC000571581565 378554971 /nfs/dbraw/zinc/55/49/71/378554971.db2.gz GSTQRIJWZMJZKP-JOYOIKCWSA-N 1 0 334.332 -0.013 20 5 EBBDRO CN1CCN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](C[NH3+])C1 ZINC000571796546 378557176 /nfs/dbraw/zinc/55/71/76/378557176.db2.gz BBLNRSIUWVFOPA-AWEZNQCLSA-N 1 0 349.391 -0.184 20 5 EBBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C[C@H](CO)Cc2cccnc2)c1 ZINC000570928212 378533733 /nfs/dbraw/zinc/53/37/33/378533733.db2.gz WIFVJIQCPTUWBI-HIFRSBDPSA-N 1 0 335.364 -0.012 20 5 EBBDRO CCc1n[nH]c(C(=O)N[C@H](C)C(=O)NCC[NH+](C)C)c1[N+](=O)[O-] ZINC000563403816 379014193 /nfs/dbraw/zinc/01/41/93/379014193.db2.gz QQCVNEFJQCORSR-MRVPVSSYSA-N 1 0 326.357 -0.324 20 5 EBBDRO O=[N+]([O-])c1ncccc1S(=O)(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000573683879 379016592 /nfs/dbraw/zinc/01/65/92/379016592.db2.gz MCIYSGOEUCDYIF-LLVKDONJSA-N 1 0 341.393 -0.342 20 5 EBBDRO C[NH+](C)CC(=O)N1CCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000073570972 379096520 /nfs/dbraw/zinc/09/65/20/379096520.db2.gz CAZQNEKIMTUJKZ-UHFFFAOYSA-N 1 0 335.364 -0.096 20 5 EBBDRO COC[C@@]1(CNC(=O)NCCn2cc([N+](=O)[O-])cn2)CCC[NH2+]1 ZINC000417913116 379327836 /nfs/dbraw/zinc/32/78/36/379327836.db2.gz PMHUHAMMICJOFU-ZDUSSCGKSA-N 1 0 326.357 -0.141 20 5 EBBDRO C[C@H](O)C[N@@H+]1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H](C)C1 ZINC000249525201 379371583 /nfs/dbraw/zinc/37/15/83/379371583.db2.gz XUUCDMMQUSHKIW-MBNYWOFBSA-N 1 0 327.385 -0.461 20 5 EBBDRO CC[NH2+]CCNC(=O)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000419881946 379348542 /nfs/dbraw/zinc/34/85/42/379348542.db2.gz BSNCRPGXJYYGAB-UHFFFAOYSA-N 1 0 349.391 -0.031 20 5 EBBDRO O=C(Cn1cnc([N+](=O)[O-])n1)Nc1ccc(N2CC[NH2+]CC2)cn1 ZINC000429034649 379444215 /nfs/dbraw/zinc/44/42/15/379444215.db2.gz JPYSATFNSRMLDP-UHFFFAOYSA-N 1 0 332.324 -0.370 20 5 EBBDRO O=C(NCCn1cc([N+](=O)[O-])cn1)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000372037837 379412292 /nfs/dbraw/zinc/41/22/92/379412292.db2.gz QUGZYBSLRAAPCL-WCQYABFASA-N 1 0 338.368 -0.046 20 5 EBBDRO CC[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C(=O)N1CCOCC1 ZINC000574270647 379461454 /nfs/dbraw/zinc/46/14/54/379461454.db2.gz GFBFZGFGDULNPR-STQMWFEESA-N 1 0 341.368 -0.621 20 5 EBBDRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000332571831 379520945 /nfs/dbraw/zinc/52/09/45/379520945.db2.gz XJSRRIASAGRNAB-NSHDSACASA-N 1 0 325.373 -0.664 20 5 EBBDRO C[C@@H]1CN(c2cccc(S(N)(=O)=O)c2[N+](=O)[O-])CCN1CCO ZINC000490046954 379562108 /nfs/dbraw/zinc/56/21/08/379562108.db2.gz WRKWFQSVOAFLRY-SNVBAGLBSA-N 1 0 344.393 -0.255 20 5 EBBDRO C[C@@H]1CN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CCN1CCO ZINC000490084063 379563949 /nfs/dbraw/zinc/56/39/49/379563949.db2.gz XRTJCEIPZQHTEU-SNVBAGLBSA-N 1 0 344.393 -0.255 20 5 EBBDRO CNC(=O)C[C@H](C)[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000268842468 380168926 /nfs/dbraw/zinc/16/89/26/380168926.db2.gz QZOFDNBTBMLTPW-JTQLQIEISA-N 1 0 344.393 -0.013 20 5 EBBDRO CNS(=O)(=O)CC[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000580640313 380806430 /nfs/dbraw/zinc/80/64/30/380806430.db2.gz BYRPANDDFQDCHK-NSHDSACASA-N 1 0 333.366 -0.527 20 5 EBBDRO O=C(C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)N1CCOCC1 ZINC000574804263 380970051 /nfs/dbraw/zinc/97/00/51/380970051.db2.gz WBIPKIWWJIGCIP-ZDUSSCGKSA-N 1 0 339.348 -0.217 20 5 EBBDRO C[NH2+][C@@H](C)C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000581439423 381075808 /nfs/dbraw/zinc/07/58/08/381075808.db2.gz VROFPDBNEVZXOD-VIFPVBQESA-N 1 0 330.366 -0.403 20 5 EBBDRO COC(=O)COc1ccc(C[NH2+]C[C@@](C)(O)CO)cc1[N+](=O)[O-] ZINC000619464292 381189750 /nfs/dbraw/zinc/18/97/50/381189750.db2.gz NFRCVNCKOZXLEM-CQSZACIVSA-N 1 0 328.321 -0.021 20 5 EBBDRO COCCC[N@H+](C)CCNC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000152469272 381653804 /nfs/dbraw/zinc/65/38/04/381653804.db2.gz RZAJSPCNDMDGJL-UHFFFAOYSA-N 1 0 326.353 -0.159 20 5 EBBDRO [NH3+]CC(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000262275700 154221621 /nfs/dbraw/zinc/22/16/21/154221621.db2.gz XKXUNASJUPOOHH-UHFFFAOYSA-N 1 0 328.350 -0.614 20 5 EBBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCN1CC[NH2+]CC1 ZINC000262508110 154234541 /nfs/dbraw/zinc/23/45/41/154234541.db2.gz MSOMVZHRCPCZGM-UHFFFAOYSA-N 1 0 344.393 -0.213 20 5 EBBDRO C[C@@H]([NH3+])[C@@H](C)C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000262529669 154236771 /nfs/dbraw/zinc/23/67/71/154236771.db2.gz MWYQKXJAOFZSTC-NXEZZACHSA-N 1 0 344.393 -0.027 20 5 EBBDRO [NH3+]CC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000263274697 154256521 /nfs/dbraw/zinc/25/65/21/154256521.db2.gz XYHHTNIPXSQBGR-UHFFFAOYSA-N 1 0 328.350 -0.614 20 5 EBBDRO C[N@@H+]1CC[C@@](O)(CNC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)C1 ZINC000358076665 157207306 /nfs/dbraw/zinc/20/73/06/157207306.db2.gz WKLKHTARTPDGKU-OAHLLOKOSA-N 1 0 346.347 -0.028 20 5 EBBDRO COc1c[nH+]ccc1N1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC1 ZINC000358315029 157231346 /nfs/dbraw/zinc/23/13/46/157231346.db2.gz YNYOWCADBKOGTK-UHFFFAOYSA-N 1 0 347.335 -0.061 20 5 EBBDRO COc1cccc(C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)c1[N+](=O)[O-] ZINC000516089617 419088422 /nfs/dbraw/zinc/08/84/22/419088422.db2.gz UTNJWNRNHFUDID-ONGXEEELSA-N 1 0 334.332 -0.013 20 5 EBBDRO CC(C)NS(=O)(=O)CC[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000514788878 419060621 /nfs/dbraw/zinc/06/06/21/419060621.db2.gz PMCXYIFCMPZULC-NSHDSACASA-N 1 0 335.386 -0.930 20 5 EBBDRO COC(=O)c1cc(C)nc(N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)c1[N+](=O)[O-] ZINC000520610846 419802024 /nfs/dbraw/zinc/80/20/24/419802024.db2.gz AWAKYNGZZDGLPI-ONGXEEELSA-N 1 0 349.347 -0.167 20 5 EBBDRO C[N@@H+]1CC[C@@H](Cn2nnnc2Sc2ncc([N+](=O)[O-])c(N)n2)C1 ZINC000362876310 420639854 /nfs/dbraw/zinc/63/98/54/420639854.db2.gz PSCOGTFGGAMBFH-SSDOTTSWSA-N 1 0 337.369 0.056 20 5 EBBDRO C[N@@H+]1CC[C@H](Cn2nnnc2Sc2ncc([N+](=O)[O-])c(N)n2)C1 ZINC000362876314 420641061 /nfs/dbraw/zinc/64/10/61/420641061.db2.gz PSCOGTFGGAMBFH-ZETCQYMHSA-N 1 0 337.369 0.056 20 5 EBBDRO CC(C)(C[NH3+])NC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000422796957 420921732 /nfs/dbraw/zinc/92/17/32/420921732.db2.gz KQGMWIMBQUIMFH-UHFFFAOYSA-N 1 0 330.366 -0.273 20 5 EBBDRO CNc1nccc(C(=O)N2CCC[C@](O)(C[NH+](C)C)C2)c1[N+](=O)[O-] ZINC000597573336 421220567 /nfs/dbraw/zinc/22/05/67/421220567.db2.gz DOOOCIRCRZHGKN-HNNXBMFYSA-N 1 0 337.380 0.560 20 5 EBBDRO CN(CC[NH3+])C(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000424001229 265045769 /nfs/dbraw/zinc/04/57/69/265045769.db2.gz GTSBCUKSKXBWAD-UHFFFAOYSA-N 1 0 330.366 -0.320 20 5 EBBDRO C[NH2+]CCCN(C)C(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000424018127 265046277 /nfs/dbraw/zinc/04/62/77/265046277.db2.gz IMDYHNGZEVIMOZ-UHFFFAOYSA-N 1 0 344.393 -0.059 20 5 EBBDRO COCC(C)(C)[NH+]1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC1 ZINC000424995144 265079621 /nfs/dbraw/zinc/07/96/21/265079621.db2.gz AKHGDHGMRVQVSG-UHFFFAOYSA-N 1 0 326.357 -0.245 20 5 EBBDRO CN(CC(=O)N1CC[NH2+]CC1)C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000428196150 265121309 /nfs/dbraw/zinc/12/13/09/265121309.db2.gz BVJUQMHLOHXUNZ-UHFFFAOYSA-N 1 0 346.347 -0.025 20 5 EBBDRO CC[NH2+]CCNC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000429105127 265131578 /nfs/dbraw/zinc/13/15/78/265131578.db2.gz SJODXZYTMQUEDM-UHFFFAOYSA-N 1 0 344.393 -0.011 20 5 EBBDRO COC(=O)[C@H](O)C1CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000441237183 265303543 /nfs/dbraw/zinc/30/35/43/265303543.db2.gz VYPAVOQPKBCAIU-CHWSQXEVSA-N 1 0 342.352 -0.602 20 5 EBBDRO C[C@@H](C[NH3+])CNC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000441610414 265309067 /nfs/dbraw/zinc/30/90/67/265309067.db2.gz LGCWKRRIHXENBR-JTQLQIEISA-N 1 0 344.393 -0.074 20 5 EBBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CC2(N3CCOCC3)CC2)c1 ZINC000516862562 272888825 /nfs/dbraw/zinc/88/88/25/272888825.db2.gz HXHPFYNKFXNWCF-CYBMUJFWSA-N 1 0 325.369 -0.393 20 5 EBBDRO NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000264550628 295152349 /nfs/dbraw/zinc/15/23/49/295152349.db2.gz OWMSKEFTQUHKJQ-GFCCVEGCSA-N 1 0 338.368 -0.363 20 5 EBBDRO CC[NH2+]CC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000818513169 583745070 /nfs/dbraw/zinc/74/50/70/583745070.db2.gz FQBLYQIAWVWSQX-UHFFFAOYSA-N 1 0 330.366 -0.401 20 5 EBBDRO O=C1OCCN1[C@H]1CC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000852431643 584212205 /nfs/dbraw/zinc/21/22/05/584212205.db2.gz FEDPAVSWCFOEKH-CMPLNLGQSA-N 1 0 325.325 -0.321 20 5 EBBDRO [NH3+]C[C@H]1CC(C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)=NO1 ZINC000852812090 584216448 /nfs/dbraw/zinc/21/64/48/584216448.db2.gz NYZJKOCZWHAPJV-LLVKDONJSA-N 1 0 334.336 -0.258 20 5 EBBDRO C[NH+](C)C[C@H](O)CNc1ncnc(N2CCOCC2)c1[N+](=O)[O-] ZINC000856722524 584270291 /nfs/dbraw/zinc/27/02/91/584270291.db2.gz UPHIBSAMWAAFRD-SNVBAGLBSA-N 1 0 326.357 -0.444 20 5 EBBDRO C[NH+](C)C[C@@H](O)CNc1ncnc(N2CCOCC2)c1[N+](=O)[O-] ZINC000856722523 584270363 /nfs/dbraw/zinc/27/03/63/584270363.db2.gz UPHIBSAMWAAFRD-JTQLQIEISA-N 1 0 326.357 -0.444 20 5 EBBDRO COc1ccc(S(=O)(=O)NC[C@H]2C[NH2+]CCN2C)c([N+](=O)[O-])c1 ZINC000394070298 650008210 /nfs/dbraw/zinc/00/82/10/650008210.db2.gz UTCBNGDBVJKQPR-SNVBAGLBSA-N 1 0 344.393 -0.215 20 5 EBBDRO O=C(NC1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)c1ccn2c[nH+]cc2c1 ZINC000996738375 726424624 /nfs/dbraw/zinc/42/46/24/726424624.db2.gz LJUBWTNSKITGIV-CHWSQXEVSA-N 1 0 329.316 -0.060 20 5 EBBDRO Cc1c(C(=O)N[C@H]2C[C@H]([NH2+]Cc3c([N+](=O)[O-])ncn3C)C2)nnn1C ZINC001020043612 729061321 /nfs/dbraw/zinc/06/13/21/729061321.db2.gz GCTSRPPIMWMQIK-MGCOHNPYSA-N 1 0 348.367 -0.184 20 5 EBBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1C[C@H](NC(=O)c2cnnn2C)C1 ZINC001020118111 729075600 /nfs/dbraw/zinc/07/56/00/729075600.db2.gz BBGUOXOXISNFAX-KYZUINATSA-N 1 0 334.340 -0.493 20 5 EBBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1C[C@H](NC(=O)c2cn[nH]c(=O)c2)C1 ZINC001020265382 729119303 /nfs/dbraw/zinc/11/93/03/729119303.db2.gz MPEXJRFMRGZZOS-MGCOHNPYSA-N 1 0 347.335 -0.126 20 5 EBBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1C[C@@H](NC(=O)c2cnc[nH]c2=O)C1 ZINC001022257161 729472484 /nfs/dbraw/zinc/47/24/84/729472484.db2.gz MHRLWNFUDSXDTG-DTORHVGOSA-N 1 0 347.335 -0.126 20 5 EBBDRO Cn1cnc([N+](=O)[O-])c1CN1CC(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001031263892 730696518 /nfs/dbraw/zinc/69/65/18/730696518.db2.gz FKWXJBSQTXLYGT-UHFFFAOYSA-N 1 0 334.380 -0.276 20 5 EBBDRO O=C(NC[C@H]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000979751838 805528880 /nfs/dbraw/zinc/52/88/80/805528880.db2.gz ACLFZIXABQXAET-FDYHWXHSSA-N 1 0 336.392 -0.242 20 5 EBBDRO C[N@H+](CCN1CCNC1=O)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000985424930 807509425 /nfs/dbraw/zinc/50/94/25/807509425.db2.gz CADTXBGQLYROPL-CHWSQXEVSA-N 1 0 339.396 -0.400 20 5 EBBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]C1CCN(C(=O)Cn2cnnn2)CC1 ZINC000989917624 808618188 /nfs/dbraw/zinc/61/81/88/808618188.db2.gz MKTBEHJJYUQZKN-UHFFFAOYSA-N 1 0 349.355 -0.904 20 5 EBBDRO C[N+](C)(C)C[C@H](O)CC(=O)OCc1ccc(S(N)(=O)=O)cc1 ZINC001223014942 811676603 /nfs/dbraw/zinc/67/66/03/811676603.db2.gz HIYHFYIIOXLNRB-GFCCVEGCSA-N 1 0 331.414 -0.166 20 5 EBBDRO NC(=O)C[C@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C(N)=O ZINC001254472523 812705946 /nfs/dbraw/zinc/70/59/46/812705946.db2.gz BGOABECLRYNZRM-ZDUSSCGKSA-N 1 0 335.364 -0.118 20 5 EBBDRO CN(CCOCC[NH3+])C(=O)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC001261818799 812991110 /nfs/dbraw/zinc/99/11/10/812991110.db2.gz IAFOLBQDSBAQSJ-UHFFFAOYSA-N 1 0 338.364 -0.313 20 5 EBBDRO CCN(CC[NH2+]Cc1c([N+](=O)[O-])ncn1C)C(=O)CNC(=O)OC ZINC001273283490 816630708 /nfs/dbraw/zinc/63/07/08/816630708.db2.gz QFWFZSKKDIGPIO-UHFFFAOYSA-N 1 0 342.356 -0.378 20 5 EBBDRO CN(CC(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC001128603243 828484171 /nfs/dbraw/zinc/48/41/71/828484171.db2.gz CUMNDSUCTTYRFU-UHFFFAOYSA-N 1 0 344.393 -0.308 20 5 EBBDRO C[NH+](C)CCC(=O)N(CCO)CCNc1ncc([N+](=O)[O-])c(N)n1 ZINC001111553631 825200717 /nfs/dbraw/zinc/20/07/17/825200717.db2.gz NLODDIFCCWEYNM-UHFFFAOYSA-N 1 0 341.372 -0.849 20 5 EBBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]C1(CNC(=O)C(N)=O)CCCCC1 ZINC001115705304 826573605 /nfs/dbraw/zinc/57/36/05/826573605.db2.gz YJANRFSETHGDQT-UHFFFAOYSA-N 1 0 338.368 -0.278 20 5 EBBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC001117599316 826782833 /nfs/dbraw/zinc/78/28/33/826782833.db2.gz TZVXMIZNJWMRRY-LLVKDONJSA-N 1 0 340.384 -0.246 20 5 EBBDRO O=C(Cn1cnc([N+](=O)[O-])n1)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC001118759128 826996628 /nfs/dbraw/zinc/99/66/28/826996628.db2.gz JYDHAXVZASNQMV-GFCCVEGCSA-N 1 0 338.368 -0.100 20 5 EBBDRO O=C(NCC[NH2+]CCN1C(=O)c2ccccc2C1=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126936209 828234423 /nfs/dbraw/zinc/23/44/23/828234423.db2.gz ARHYIQAQQRPAKZ-CHWSQXEVSA-N 1 0 346.343 -0.346 20 5 EBBDRO Cn1cnn(CC(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)c1=O ZINC001130590711 828891921 /nfs/dbraw/zinc/89/19/21/828891921.db2.gz DNBGQSDDSIPUPQ-UHFFFAOYSA-N 1 0 334.336 -0.604 20 5 EBBDRO NS(=O)(=O)CCCC(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001133151557 829593113 /nfs/dbraw/zinc/59/31/13/829593113.db2.gz DGYFOGHIMFQXNH-UHFFFAOYSA-N 1 0 344.393 -0.131 20 5 EBBDRO O=C(CN1C(=O)CCC1=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001150472059 830910988 /nfs/dbraw/zinc/91/09/88/830910988.db2.gz CXXKDGUXLWZTNZ-UHFFFAOYSA-N 1 0 334.332 -0.050 20 5 EBBDRO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N(CC[NH3+])S(C)(=O)=O)n1 ZINC001154773124 831362156 /nfs/dbraw/zinc/36/21/56/831362156.db2.gz KUPLZPZGJGWNDE-UHFFFAOYSA-N 1 0 332.342 -0.624 20 5 EBBDRO CN(C)C(=O)c1nc(CNc2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)no1 ZINC001156216731 831462829 /nfs/dbraw/zinc/46/28/29/831462829.db2.gz MAEADAQEVKFAKT-UHFFFAOYSA-N 1 0 348.323 -0.232 20 5 EBBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCCNC(=O)c1cnn(C)c1N ZINC001156936880 831516085 /nfs/dbraw/zinc/51/60/85/831516085.db2.gz RZMGKLMSFQLKQU-UHFFFAOYSA-N 1 0 336.356 -0.446 20 5 EBBDRO O=C(C[NH2+]CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])NC1CCOCC1 ZINC001157761315 831590104 /nfs/dbraw/zinc/59/01/04/831590104.db2.gz OLAADVHXNGQLGD-VXGBXAGGSA-N 1 0 328.369 -0.957 20 5 EBBDRO CC(=O)N[C@@H]1CCCN(c2ncnc(N3CC[NH2+]CC3)c2[N+](=O)[O-])C1 ZINC001157963893 831614897 /nfs/dbraw/zinc/61/48/97/831614897.db2.gz NWPOCQBZDDCZCV-GFCCVEGCSA-N 1 0 349.395 -0.101 20 5 EBBDRO [NH3+]CCN(CCNc1cc([N+](=O)[O-])cc(Cl)[n+]1[O-])N(O)N=O ZINC001161092675 831923199 /nfs/dbraw/zinc/92/31/99/831923199.db2.gz XPOYUZDFEVGJTR-UHFFFAOYSA-N 1 0 335.708 -0.158 20 5 EBBDRO CN(c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])S(=O)(=O)CC[NH3+] ZINC001164299959 832182929 /nfs/dbraw/zinc/18/29/29/832182929.db2.gz DUBGRYNSDUUAPD-UHFFFAOYSA-N 1 0 337.379 -0.277 20 5 EBBDRO N[C@@H]1CN(c2ncnc(N3CC[NH2+]CC3)c2[N+](=O)[O-])CCC1(F)F ZINC001164319608 832183822 /nfs/dbraw/zinc/18/38/22/832183822.db2.gz KSEJASGESNGRNL-SECBINFHSA-N 1 0 343.338 -0.033 20 5 EBBDRO Cc1nn(C)c(C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)c1[N+](=O)[O-] ZINC001351632676 832262491 /nfs/dbraw/zinc/26/24/91/832262491.db2.gz YYHXVRFCICYBKQ-JTQLQIEISA-N 1 0 338.368 -0.294 20 5 EBBDRO COC(=O)C[C@@H]1CN(c2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)CCO1 ZINC001166835131 832293038 /nfs/dbraw/zinc/29/30/38/832293038.db2.gz RUBYNXWFOQLRHT-SNVBAGLBSA-N 1 0 337.336 -0.160 20 5 EBBDRO CCOC(=O)c1nc(Cl)nc(N2C[C@@H](O)[C@@H]([NH3+])C2)c1[N+](=O)[O-] ZINC001167090816 832311047 /nfs/dbraw/zinc/31/10/47/832311047.db2.gz XGGZDKGFYODDFN-NTSWFWBYSA-N 1 0 331.716 -0.277 20 5 EBBDRO Cn1c(=O)cc(Nc2ncnc(C3C[NH2+]C3)c2[N+](=O)[O-])n(C)c1=O ZINC001167771472 832372025 /nfs/dbraw/zinc/37/20/25/832372025.db2.gz RUZFOZWTNGFNRC-UHFFFAOYSA-N 1 0 333.308 -0.787 20 5 EBBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCCNC(=O)CCn1cnnn1 ZINC001169100624 832448257 /nfs/dbraw/zinc/44/82/57/832448257.db2.gz MSBOCXHRUWNDJX-UHFFFAOYSA-N 1 0 337.344 -0.999 20 5 EBBDRO CC1CC[NH+](CC(=O)N(C)CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001355592129 832568059 /nfs/dbraw/zinc/56/80/59/832568059.db2.gz PNVSHFYVFKWIFJ-CHWSQXEVSA-N 1 0 326.397 -0.042 20 5 EBBDRO O=C(NCCCCCC[NH2+]CCN1CCNC1=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001178463223 832867725 /nfs/dbraw/zinc/86/77/25/832867725.db2.gz ANVOITGXCXFDPZ-CHWSQXEVSA-N 1 0 341.412 -0.057 20 5 EBBDRO C[C@@H]1CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H](C)C[N@@H+]1CCO ZINC001195279072 835209541 /nfs/dbraw/zinc/20/95/41/835209541.db2.gz MMKIFHGIBYCDOU-DYEKYZERSA-N 1 0 327.385 -0.461 20 5 EBBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC2(CC[N@@H+](CCOCCO)C2)CC1 ZINC001319141237 838078096 /nfs/dbraw/zinc/07/80/96/838078096.db2.gz CKGVSZVETNTTPF-ZIAGYGMSSA-N 1 0 341.408 -0.025 20 5 EBBDRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC001320477273 838777952 /nfs/dbraw/zinc/77/79/52/838777952.db2.gz OZZAILLGAZBVMS-NSHDSACASA-N 1 0 325.373 -0.672 20 5 EBBDRO O=C(NCCc1ccccc1[N+](=O)[O-])C(=O)NC[C@H]1COCC[NH2+]1 ZINC001328976087 840804770 /nfs/dbraw/zinc/80/47/70/840804770.db2.gz XKVOUZHQIOVKLC-LBPRGKRZSA-N 1 0 336.348 -0.642 20 5 EBBDRO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC(OCCC[NH3+])CC2)n1 ZINC001329191685 840870097 /nfs/dbraw/zinc/87/00/97/840870097.db2.gz OHPMMQPUIHMFNT-UHFFFAOYSA-N 1 0 347.397 -0.153 20 5 EBBDRO C[NH2+]CCOCCNC(=O)C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001329471526 840933143 /nfs/dbraw/zinc/93/31/43/840933143.db2.gz VJSMONIYZRRPMY-UHFFFAOYSA-N 1 0 336.348 -0.211 20 5 EBBDRO CN(CCC[NH3+])C(=O)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC001330594476 841242786 /nfs/dbraw/zinc/24/27/86/841242786.db2.gz KYDJMPCSPLOQIV-UHFFFAOYSA-N 1 0 338.368 -0.238 20 5 EBBDRO C[C@@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1(S(C)(=O)=O)CC1 ZINC001331973353 841541806 /nfs/dbraw/zinc/54/18/06/841541806.db2.gz VUMPOFLDROZNNP-KOLCDFICSA-N 1 0 332.382 -0.293 20 5 EBBDRO O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)c1c[nH]nc1[N+](=O)[O-] ZINC001340016100 842963984 /nfs/dbraw/zinc/96/39/84/842963984.db2.gz KKIZIUBGFTVCML-NSHDSACASA-N 1 0 338.368 -0.546 20 5 EBBDRO CCN(CC[NH2+]Cc1c([N+](=O)[O-])ncn1C)C(=O)CNC(=O)NC ZINC001482928598 1126303343 /nfs/dbraw/zinc/30/33/43/1126303343.db2.gz UYGYUYKXTUQHHI-UHFFFAOYSA-N 1 0 341.372 -0.805 20 5 EBBDRO COc1ccc(C(=O)N(C)CC[NH2+]Cc2c([N+](=O)[O-])ncn2C)nn1 ZINC001691542668 1126311764 /nfs/dbraw/zinc/31/17/64/1126311764.db2.gz PSOOSLHYDVDLPE-UHFFFAOYSA-N 1 0 349.351 -0.011 20 5 EBBDRO O=C(C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)Nc1nccs1 ZINC001491017366 1130290288 /nfs/dbraw/zinc/29/02/88/1130290288.db2.gz JIKPRIULXZLNGI-UTINFBMNSA-N 1 0 339.377 -0.016 20 5 EBBDRO O=c1[n-]nc([C@@H]2CCC[N@@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)o1 ZINC000283915210 376247793 /nfs/dbraw/zinc/24/77/93/376247793.db2.gz GECSOSXSIUUNNH-MWLCHTKSSA-N 1 0 338.324 -0.292 20 5 EBBDRO C[N@H+](CCN1CCCS1(=O)=O)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000610604110 376301205 /nfs/dbraw/zinc/30/12/05/376301205.db2.gz ATJPNIVUBPHCIB-GFCCVEGCSA-N 1 0 347.397 -0.881 20 5 EBBDRO C[NH+](C)C[C@@H](CO)NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000590369420 377478721 /nfs/dbraw/zinc/47/87/21/377478721.db2.gz FNTTZXLPVZHQNM-LBPRGKRZSA-N 1 0 338.364 -0.247 20 5 EBBDRO CCS(=O)(=O)NCC[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000566106030 377484658 /nfs/dbraw/zinc/48/46/58/377484658.db2.gz FAVGEYIUKMOVIR-LLVKDONJSA-N 1 0 347.393 -0.137 20 5 EBBDRO COC(=O)c1cc(NC(=O)C(=O)NC2C[NH2+]C2)c(C)c([N+](=O)[O-])c1 ZINC000591295208 377707161 /nfs/dbraw/zinc/70/71/61/377707161.db2.gz XVPJNRADCYYOJR-UHFFFAOYSA-N 1 0 336.304 -0.284 20 5 EBBDRO C[C@@H]([NH3+])CNC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000591352610 377708807 /nfs/dbraw/zinc/70/88/07/377708807.db2.gz MKYCNWQVTPEKFU-SECBINFHSA-N 1 0 345.381 -0.481 20 5 EBBDRO Cn1nnnc1CC[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000591757569 377753446 /nfs/dbraw/zinc/75/34/46/377753446.db2.gz HRRRYRCASPWPPB-UHFFFAOYSA-N 1 0 340.365 -0.276 20 5 EBBDRO CCn1cc(S(=O)(=O)N2CCN(C)C[C@H]2C[NH3+])c([N+](=O)[O-])n1 ZINC000592983011 377868118 /nfs/dbraw/zinc/86/81/18/377868118.db2.gz QNBKUVMWYNPPOM-SECBINFHSA-N 1 0 332.386 -0.925 20 5 EBBDRO NS(=O)(=O)c1cc([N+](=O)[O-])cc(N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)c1 ZINC000594603138 377945093 /nfs/dbraw/zinc/94/50/93/377945093.db2.gz LDOLHMXASQVATO-NWDGAFQWSA-N 1 0 342.377 -0.503 20 5 EBBDRO C[C@H](CNS(=O)(=O)c1ncccc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000594760833 377951603 /nfs/dbraw/zinc/95/16/03/377951603.db2.gz UEGICLSXUZXNAX-LLVKDONJSA-N 1 0 343.409 -0.096 20 5 EBBDRO C[C@@H](CNS(=O)(=O)c1ncccc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000594760840 377951969 /nfs/dbraw/zinc/95/19/69/377951969.db2.gz UEGICLSXUZXNAX-NSHDSACASA-N 1 0 343.409 -0.096 20 5 EBBDRO CCO[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)C[C@H]1C[NH3+] ZINC000595113961 377975412 /nfs/dbraw/zinc/97/54/12/377975412.db2.gz QTKJRZKOZZXNLE-MWLCHTKSSA-N 1 0 330.366 -0.026 20 5 EBBDRO C[NH2+]C[C@@H](C)NC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000595985118 378046877 /nfs/dbraw/zinc/04/68/77/378046877.db2.gz XBZIBZHPCDKJEH-SECBINFHSA-N 1 0 330.366 -0.403 20 5 EBBDRO C[C@@H]1CN(c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CC[N@@H+]1CCO ZINC000596207083 378055760 /nfs/dbraw/zinc/05/57/60/378055760.db2.gz AKTFIBQAYWZMKJ-SNVBAGLBSA-N 1 0 344.393 -0.255 20 5 EBBDRO CS[C@H]1CN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000599269308 378217307 /nfs/dbraw/zinc/21/73/07/378217307.db2.gz RJWPTOYVANDYIG-SCZZXKLOSA-N 1 0 349.438 -0.006 20 5 EBBDRO CN(CC1C[NH+](C)C1)C(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000598162646 378158374 /nfs/dbraw/zinc/15/83/74/378158374.db2.gz YHWZEZQVKBEXLA-UHFFFAOYSA-N 1 0 342.377 -0.124 20 5 EBBDRO CN(CC(=O)NCC(=O)N1CC[NH2+]CC1)c1ccccc1[N+](=O)[O-] ZINC000567667495 378175628 /nfs/dbraw/zinc/17/56/28/378175628.db2.gz SLGMIOVGSUVOGH-UHFFFAOYSA-N 1 0 335.364 -0.421 20 5 EBBDRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000599767478 378273661 /nfs/dbraw/zinc/27/36/61/378273661.db2.gz XBCURCKHQDXBHZ-NSHDSACASA-N 1 0 336.352 -0.127 20 5 EBBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)CCOCC[NH3+] ZINC000599900193 378282653 /nfs/dbraw/zinc/28/26/53/378282653.db2.gz LSDNWBISMJHLRB-UHFFFAOYSA-N 1 0 340.336 -0.024 20 5 EBBDRO Cc1c(CNC(=O)C(=O)NC[C@H]2COCC[NH2+]2)cccc1[N+](=O)[O-] ZINC000599948659 378283195 /nfs/dbraw/zinc/28/31/95/378283195.db2.gz AWWDMYDBRGVOBC-LBPRGKRZSA-N 1 0 336.348 -0.376 20 5 EBBDRO COC(=O)[C@@]1(OC)CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000599562936 378258248 /nfs/dbraw/zinc/25/82/48/378258248.db2.gz KJXVNPQOSPOLMX-WCQYABFASA-N 1 0 328.325 -0.584 20 5 EBBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+](CCO)CCN1CCOCC1 ZINC000602781484 378371107 /nfs/dbraw/zinc/37/11/07/378371107.db2.gz ZHWLBILGYDOFJI-UHFFFAOYSA-N 1 0 327.385 -0.274 20 5 EBBDRO C[C@H](CN1CC[NH+](C)CC1)NS(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000570099492 378506933 /nfs/dbraw/zinc/50/69/33/378506933.db2.gz NOIUEVJSMNICLX-LLVKDONJSA-N 1 0 343.409 -0.096 20 5 EBBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)c1 ZINC000571581568 378555103 /nfs/dbraw/zinc/55/51/03/378555103.db2.gz GSTQRIJWZMJZKP-SKDRFNHKSA-N 1 0 334.332 -0.013 20 5 EBBDRO C[NH2+]CCCNC(=O)C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000419840976 379345504 /nfs/dbraw/zinc/34/55/04/379345504.db2.gz FIODEUVKVHGLQK-UHFFFAOYSA-N 1 0 336.348 -0.090 20 5 EBBDRO C[NH2+]CCCNC(=O)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000419839450 379345629 /nfs/dbraw/zinc/34/56/29/379345629.db2.gz BAOMYWUCYKWPBF-UHFFFAOYSA-N 1 0 349.391 -0.031 20 5 EBBDRO C[C@H]1CCCN(C(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)[C@H]1C[NH3+] ZINC000419469894 379341122 /nfs/dbraw/zinc/34/11/22/379341122.db2.gz XFKBTDWUYSQCBX-JQWIXIFHSA-N 1 0 338.368 -0.507 20 5 EBBDRO C[C@H](O)C[N@@H+]1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H](C)C1 ZINC000249525199 379371209 /nfs/dbraw/zinc/37/12/09/379371209.db2.gz XUUCDMMQUSHKIW-DYEKYZERSA-N 1 0 327.385 -0.461 20 5 EBBDRO CC(C)(O)C[NH+]1CCN(C(=O)NCCn2cc([N+](=O)[O-])cn2)CC1 ZINC000161602342 379369013 /nfs/dbraw/zinc/36/90/13/379369013.db2.gz HHWLSJOIHMUVGT-UHFFFAOYSA-N 1 0 340.384 -0.111 20 5 EBBDRO [NH3+][C@H]1CCN(C(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000428996132 379443792 /nfs/dbraw/zinc/44/37/92/379443792.db2.gz BJBARJLRUFZVMD-JTQLQIEISA-N 1 0 342.377 -0.177 20 5 EBBDRO COc1ccc(NC(=O)CC[NH+]2C[C@@H](O)[C@H](O)C2)c([N+](=O)[O-])c1 ZINC000278674557 379497034 /nfs/dbraw/zinc/49/70/34/379497034.db2.gz IJSGQCGBDWEFKQ-CHWSQXEVSA-N 1 0 325.321 -0.031 20 5 EBBDRO NC(=O)[C@]1(O)CC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000276480393 379478469 /nfs/dbraw/zinc/47/84/69/379478469.db2.gz SADCLKSHZNTNGZ-FZMZJTMJSA-N 1 0 325.321 -0.743 20 5 EBBDRO C[C@@H]1C[C@H](N2CCOCC2)C[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000352887982 379685059 /nfs/dbraw/zinc/68/50/59/379685059.db2.gz MCXHEJPFOFQDST-VNHYZAJKSA-N 1 0 339.396 -0.053 20 5 EBBDRO CCCc1n[nH]c(C(=O)N(C)CC(=O)N2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC000353047006 379687504 /nfs/dbraw/zinc/68/75/04/379687504.db2.gz LORVRNVRTSIZEG-UHFFFAOYSA-N 1 0 338.368 -0.226 20 5 EBBDRO Cc1nn(CCC(=O)NCC[N@@H+]2CC[C@@H](O)C2)c(C)c1[N+](=O)[O-] ZINC000600532444 379947318 /nfs/dbraw/zinc/94/73/18/379947318.db2.gz IGFZXCCSIWKQCY-GFCCVEGCSA-N 1 0 325.369 -0.019 20 5 EBBDRO COc1cc(CCNC(=O)[C@H]2C[C@@H](O)C[NH2+]2)c([N+](=O)[O-])cc1OC ZINC000269209992 380245994 /nfs/dbraw/zinc/24/59/94/380245994.db2.gz PCIHYVRTCHWBDG-GHMZBOCLSA-N 1 0 339.348 -0.007 20 5 EBBDRO COCC[N@@H+]1CC[C@@H](NC(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC000269069900 380214194 /nfs/dbraw/zinc/21/41/94/380214194.db2.gz ZBVZIOBDUPHWJX-LLVKDONJSA-N 1 0 326.357 -0.189 20 5 EBBDRO [NH3+]C[C@H]1CN(C(=O)C(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)CCO1 ZINC000579942289 381023546 /nfs/dbraw/zinc/02/35/46/381023546.db2.gz UKOAMIINFXNDLC-LBPRGKRZSA-N 1 0 348.359 -0.334 20 5 EBBDRO O=C(CNC(=O)[C@H]1CCC[NH2+]1)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000574874282 380991096 /nfs/dbraw/zinc/99/10/96/380991096.db2.gz MXKJPAWKFGDKAL-CYBMUJFWSA-N 1 0 336.348 -0.042 20 5 EBBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)n1 ZINC000576887224 381930059 /nfs/dbraw/zinc/93/00/59/381930059.db2.gz FIPCKSGQVDVHGZ-IUCAKERBSA-N 1 0 335.320 -0.475 20 5 EBBDRO [NH3+][C@@H]1C[C@H]2CN(C(=O)COc3ccc([N+](=O)[O-])cc3)CCN2C1=O ZINC000577412024 382048640 /nfs/dbraw/zinc/04/86/40/382048640.db2.gz NLJHFHAWSDHLSB-WCQYABFASA-N 1 0 334.332 -0.256 20 5 EBBDRO C[NH+](C)CC(=O)N1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)CC1 ZINC000299277102 155150824 /nfs/dbraw/zinc/15/08/24/155150824.db2.gz XOHZOYZIWAVEPZ-UHFFFAOYSA-N 1 0 337.336 -0.459 20 5 EBBDRO C[C@H](CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O)N1CC[NH+](C)CC1 ZINC000330782222 155309562 /nfs/dbraw/zinc/30/95/62/155309562.db2.gz YUUZGYJWQJCMTF-GFCCVEGCSA-N 1 0 337.380 -0.491 20 5 EBBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCCN1CC[NH2+]CC1 ZINC000237551192 154173389 /nfs/dbraw/zinc/17/33/89/154173389.db2.gz WOHGQQDAUGWHSF-GFCCVEGCSA-N 1 0 349.391 -0.266 20 5 EBBDRO O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[NH2+]1 ZINC000261855963 154203346 /nfs/dbraw/zinc/20/33/46/154203346.db2.gz QPKXVWVSOTWVCV-LBPRGKRZSA-N 1 0 342.377 -0.259 20 5 EBBDRO [NH3+]CCNC(=O)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000262505987 154234599 /nfs/dbraw/zinc/23/45/99/154234599.db2.gz KCKIEVLIBGKPFB-GFCCVEGCSA-N 1 0 342.377 -0.177 20 5 EBBDRO COc1ccc(S(=O)(=O)NCCN2CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000262500013 154235128 /nfs/dbraw/zinc/23/51/28/154235128.db2.gz LWEUEFGZXWACKQ-UHFFFAOYSA-N 1 0 344.393 -0.213 20 5 EBBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCO[C@H](C[NH3+])C1 ZINC000262548742 154236366 /nfs/dbraw/zinc/23/63/66/154236366.db2.gz SBOJZWULYJDOLH-SNVBAGLBSA-N 1 0 331.350 -0.048 20 5 EBBDRO NC(=O)c1cc([N+](=O)[O-])cnc1NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000264620847 154285429 /nfs/dbraw/zinc/28/54/29/154285429.db2.gz RMPUCYYQXWQTHH-NSHDSACASA-N 1 0 336.352 -0.160 20 5 EBBDRO CN1CC[N@H+](C)C[C@H]1CNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000264736197 154291474 /nfs/dbraw/zinc/29/14/74/154291474.db2.gz QVZFICWNWSWRND-CQSZACIVSA-N 1 0 349.391 -0.313 20 5 EBBDRO C[N@@H+]1CC[C@](O)(CNC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)C1 ZINC000358069532 157204092 /nfs/dbraw/zinc/20/40/92/157204092.db2.gz TUPFPBBXZAFDSG-HNNXBMFYSA-N 1 0 346.347 -0.028 20 5 EBBDRO COc1ccc(S(=O)(=O)NC[C@@]2(O)CC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC000358212682 157228351 /nfs/dbraw/zinc/22/83/51/157228351.db2.gz NJXNHQFRVZKKIO-ZDUSSCGKSA-N 1 0 345.377 -0.052 20 5 EBBDRO COC(=O)C[C@@]1([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCOC1 ZINC000362269409 157449411 /nfs/dbraw/zinc/44/94/11/157449411.db2.gz IYWTZKHSNIKZSS-AAEUAGOBSA-N 1 0 328.325 -0.536 20 5 EBBDRO O=C(C[NH2+]C1CC1)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000517230384 419090352 /nfs/dbraw/zinc/09/03/52/419090352.db2.gz OHHPGGJCZNVOKV-UHFFFAOYSA-N 1 0 342.377 -0.259 20 5 EBBDRO COC(=O)[C@@H]1CSCC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000412087658 419139821 /nfs/dbraw/zinc/13/98/21/419139821.db2.gz WGKVUVXMJNQPML-JQWIXIFHSA-N 1 0 344.393 -0.010 20 5 EBBDRO COC(=O)[C@H]1CN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC[N@H+](C)C1 ZINC000413920232 419320144 /nfs/dbraw/zinc/32/01/44/419320144.db2.gz NDALXILMRGBKPJ-SNVBAGLBSA-N 1 0 325.325 -0.646 20 5 EBBDRO O=[N+]([O-])c1ccccc1CCS(=O)(=O)NCCN1CC[NH2+]CC1 ZINC000520234898 419745732 /nfs/dbraw/zinc/74/57/32/419745732.db2.gz INDOXYGTTYNUNX-UHFFFAOYSA-N 1 0 342.421 -0.038 20 5 EBBDRO COC[C@H](O)C[N@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000420979450 420915066 /nfs/dbraw/zinc/91/50/66/420915066.db2.gz YWTRZFLFBZYMNR-GFCCVEGCSA-N 1 0 347.393 -0.188 20 5 EBBDRO Cc1cc(C(=O)NCC(=O)NCCN2CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC000422749569 420921792 /nfs/dbraw/zinc/92/17/92/420921792.db2.gz ZSHIFZTYEYQSCL-UHFFFAOYSA-N 1 0 349.391 -0.346 20 5 EBBDRO O=C(C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)N1CC[NH2+]CC1 ZINC000423156455 420923237 /nfs/dbraw/zinc/92/32/37/420923237.db2.gz SLISMLHDQKKGGF-UHFFFAOYSA-N 1 0 347.375 -0.325 20 5 EBBDRO COC(=O)N1CCC([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000497033797 420947197 /nfs/dbraw/zinc/94/71/97/420947197.db2.gz IXQRQZDLJFBCAA-LBPRGKRZSA-N 1 0 327.341 -0.027 20 5 EBBDRO CNc1nccc(C(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)c1[N+](=O)[O-] ZINC000597625540 421220949 /nfs/dbraw/zinc/22/09/49/421220949.db2.gz PBUAFSGFFDHYTM-LLVKDONJSA-N 1 0 334.380 0.151 20 5 EBBDRO C[C@@H](NC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1)c1ccccc1[N+](=O)[O-] ZINC000419156810 264854428 /nfs/dbraw/zinc/85/44/28/264854428.db2.gz VPXDPFORYHXNKA-MNOVXSKESA-N 1 0 336.348 -0.042 20 5 EBBDRO C[NH2+]CCN(C)C(=O)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000422995927 264982057 /nfs/dbraw/zinc/98/20/57/264982057.db2.gz ZYCHKCQROFEJSU-UHFFFAOYSA-N 1 0 349.391 -0.079 20 5 EBBDRO C[C@@H]([NH3+])[C@H](C)NC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000423679174 265031994 /nfs/dbraw/zinc/03/19/94/265031994.db2.gz LSOMDCNMMDAPOC-BDAKNGLRSA-N 1 0 330.366 -0.275 20 5 EBBDRO COC(=O)[C@@H](O)C1CC[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000441237212 265304069 /nfs/dbraw/zinc/30/40/69/265304069.db2.gz VYPAVOQPKBCAIU-STQMWFEESA-N 1 0 342.352 -0.602 20 5 EBBDRO CN1CC[NH2+]C[C@H]1CNC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000449696177 265393538 /nfs/dbraw/zinc/39/35/38/265393538.db2.gz JSAKWSJAPPKCTK-AWEZNQCLSA-N 1 0 349.391 -0.266 20 5 EBBDRO Nc1nc(N2CCC[C@H](OC(=O)Cn3cnc([N+](=O)[O-])n3)C2)cc[nH+]1 ZINC000810766485 583685650 /nfs/dbraw/zinc/68/56/50/583685650.db2.gz LSAQODSBTRVPLJ-VIFPVBQESA-N 1 0 348.323 -0.229 20 5 EBBDRO CC[NH2+]CC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000818544268 583745403 /nfs/dbraw/zinc/74/54/03/583745403.db2.gz DKKWYMBKKXUNJM-UHFFFAOYSA-N 1 0 330.366 -0.401 20 5 EBBDRO C[C@@H](C[NH3+])NC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000842254243 584062172 /nfs/dbraw/zinc/06/21/72/584062172.db2.gz GHIIMWMOKOJYOU-NSHDSACASA-N 1 0 335.364 -0.293 20 5 EBBDRO CN1CCN(C)CCN(S(=O)(=O)c2ncccc2[N+](=O)[O-])CC1 ZINC000907790624 650090215 /nfs/dbraw/zinc/09/02/15/650090215.db2.gz PTXYWXVRFXEFEK-UHFFFAOYSA-N 1 0 343.409 -0.142 20 5 EBBDRO O=C(NC1CCN(C(=O)C23CC[NH+](CC2)C3)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000947510296 653420579 /nfs/dbraw/zinc/42/05/79/653420579.db2.gz KEZVQLIZYIJICX-CHWSQXEVSA-N 1 0 336.392 -0.145 20 5 EBBDRO CN(C(=O)C12CCC[NH+]1CCC2)C1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000954823535 719921665 /nfs/dbraw/zinc/92/16/65/719921665.db2.gz SNNSRDSRKNQERM-CHWSQXEVSA-N 1 0 336.392 -0.051 20 5 EBBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]C1CCN(C(=O)c2cnnn2C)CC1 ZINC000991983416 725692771 /nfs/dbraw/zinc/69/27/71/725692771.db2.gz XEHCVUMGGSCSQD-UHFFFAOYSA-N 1 0 348.367 -0.149 20 5 EBBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC([NH2+]Cc2ncnn2CCF)CC1 ZINC000996429616 726392020 /nfs/dbraw/zinc/39/20/20/726392020.db2.gz QHWWCSCMVJOUJJ-VXGBXAGGSA-N 1 0 340.359 -0.007 20 5 EBBDRO O=C(NCC1=CC[N@H+](CCN2CCNC2=O)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001000672961 726574856 /nfs/dbraw/zinc/57/48/56/726574856.db2.gz CHTJMEBFSICIMU-CHWSQXEVSA-N 1 0 337.380 -0.575 20 5 EBBDRO CCn1ncc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3c([N+](=O)[O-])ncn3C)C2)n1 ZINC001020130328 729080216 /nfs/dbraw/zinc/08/02/16/729080216.db2.gz VTCMLGZWNJMWNI-MGCOHNPYSA-N 1 0 348.367 -0.010 20 5 EBBDRO Cc1nc(C)n(CC[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 ZINC001025775610 730086341 /nfs/dbraw/zinc/08/63/41/730086341.db2.gz IFSYQLJPAVGYTI-RGDJUOJXSA-N 1 0 334.380 -0.393 20 5 EBBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC2(C1)CC[N@H+](CCN1CCNC1=O)C2 ZINC001072724746 741465805 /nfs/dbraw/zinc/46/58/05/741465805.db2.gz CUMYABXGFHQYGJ-VXGBXAGGSA-N 1 0 337.380 -0.789 20 5 EBBDRO CC(C)NC(=O)NCC[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001227257855 811913351 /nfs/dbraw/zinc/91/33/51/811913351.db2.gz GJIURZLPJMLFFZ-CHWSQXEVSA-N 1 0 341.412 -0.060 20 5 EBBDRO C[N@@H+](CC(=O)NC(N)=O)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001267730600 814012915 /nfs/dbraw/zinc/01/29/15/814012915.db2.gz ZZSGOHDQLDLMSZ-GHMZBOCLSA-N 1 0 341.368 -0.983 20 5 EBBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCN(CCO)C(=O)c1ccccn1 ZINC001272096999 816313959 /nfs/dbraw/zinc/31/39/59/816313959.db2.gz SJMPNTNXRXOQPB-UHFFFAOYSA-N 1 0 348.363 -0.052 20 5 EBBDRO CC(C)(C[NH+]1CCOCC1)C(=O)NCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001283005309 818575659 /nfs/dbraw/zinc/57/56/59/818575659.db2.gz TZTNCOSLMKXUQJ-VXGBXAGGSA-N 1 0 342.396 -0.758 20 5 EBBDRO CC[N@H+](C)CCC(=O)N[C@@H]1[C@H]2CN(c3ncc([N+](=O)[O-])c(N)n3)C[C@H]21 ZINC001097574212 819005577 /nfs/dbraw/zinc/00/55/77/819005577.db2.gz NVOWBMNZIOVPSW-IWIIMEHWSA-N 1 0 349.395 -0.140 20 5 EBBDRO C[NH+](C)CCCCC(=O)NCC1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001297240429 821346328 /nfs/dbraw/zinc/34/63/28/821346328.db2.gz AYBMVBKAACHSAW-CHWSQXEVSA-N 1 0 326.397 -0.042 20 5 EBBDRO C[C@@]12C[NH+](CCn3cc([N+](=O)[O-])ccc3=O)C[C@@]1(C)C(=O)NC2=O ZINC001307993163 821773602 /nfs/dbraw/zinc/77/36/02/821773602.db2.gz GCVUSQLGOJBSNM-GJZGRUSLSA-N 1 0 334.332 -0.259 20 5 EBBDRO COCC(=O)N(C)CC(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001128619096 828490781 /nfs/dbraw/zinc/49/07/81/828490781.db2.gz NORCQAAEPNFLQW-UHFFFAOYSA-N 1 0 338.364 -0.095 20 5 EBBDRO O=C(CN1C(=O)CCC1=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001150473465 830912832 /nfs/dbraw/zinc/91/28/32/830912832.db2.gz RWULVOJHBQYUEJ-UHFFFAOYSA-N 1 0 334.332 -0.050 20 5 EBBDRO CNC(=O)CCCC(=O)NCCC[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC001156869128 831509291 /nfs/dbraw/zinc/50/92/91/831509291.db2.gz WKDPSESYBLUIGK-UHFFFAOYSA-N 1 0 340.384 -0.160 20 5 EBBDRO CCC(CO)(CO)Nc1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001157197977 831543153 /nfs/dbraw/zinc/54/31/53/831543153.db2.gz HSIHTDVKZOSCGV-UHFFFAOYSA-N 1 0 326.357 -0.660 20 5 EBBDRO Cc1nnc(NC(=O)C[NH2+]CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])s1 ZINC001157767807 831591446 /nfs/dbraw/zinc/59/14/46/831591446.db2.gz VLKBENCRZXYUKV-RKDXNWHRSA-N 1 0 342.381 -0.454 20 5 EBBDRO O=C(C[NH2+]CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Nc1nncs1 ZINC001157767817 831592099 /nfs/dbraw/zinc/59/20/99/831592099.db2.gz VUWUTMZMLRPKRU-HTQZYQBOSA-N 1 0 328.354 -0.762 20 5 EBBDRO COC(=O)c1nc(Cl)nc(N2C[C@H]([NH3+])C3(COC3)C2)c1[N+](=O)[O-] ZINC001158764593 831684164 /nfs/dbraw/zinc/68/41/64/831684164.db2.gz OKHKCGBAXKPWKB-LURJTMIESA-N 1 0 343.727 -0.011 20 5 EBBDRO CCOC(=O)CN(CC[NH3+])c1nc(NC(C)=O)nc(C)c1[N+](=O)[O-] ZINC001159866597 831790398 /nfs/dbraw/zinc/79/03/98/831790398.db2.gz UHPCSQJJUBKIST-UHFFFAOYSA-N 1 0 340.340 -0.020 20 5 EBBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCCNC(=O)c1cn(C)ccc1=O ZINC001162270741 832029794 /nfs/dbraw/zinc/02/97/94/832029794.db2.gz IZEDWEXQQQYJQU-UHFFFAOYSA-N 1 0 348.363 -0.063 20 5 EBBDRO CCOC(=O)c1c(C[NH3+])ncn1-c1ccc([N+](=O)[O-])c(C(N)=O)n1 ZINC001162531686 832051314 /nfs/dbraw/zinc/05/13/14/832051314.db2.gz XAZCSWXZYVACPY-UHFFFAOYSA-N 1 0 334.292 -0.090 20 5 EBBDRO O=[N+]([O-])c1c(N2CC[NH2+]CC2)ncnc1N1C[C@@H](F)C[C@H](CO)C1 ZINC001164040417 832168455 /nfs/dbraw/zinc/16/84/55/832168455.db2.gz OIJVBRQJAWXVJI-QWRGUYRKSA-N 1 0 340.359 -0.049 20 5 EBBDRO O=C1CN(c2ncc([N+](=O)[O-])cc2[N+](=O)[O-])CC2(CC[NH2+]CC2)N1 ZINC001165252229 832208406 /nfs/dbraw/zinc/20/84/06/832208406.db2.gz AYTDSKWGRRZUTI-UHFFFAOYSA-N 1 0 336.308 -0.044 20 5 EBBDRO COc1nc(N2CC[C@@H]3[NH2+]CCO[C@H]3C2)nc(OC)c1[N+](=O)[O-] ZINC001165271080 832209726 /nfs/dbraw/zinc/20/97/26/832209726.db2.gz RCXRCMZFHULWPJ-IUCAKERBSA-N 1 0 325.325 -0.031 20 5 EBBDRO CN(CCCNC(=O)C1(C[NH+](C)C)CC1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001351871218 832289841 /nfs/dbraw/zinc/28/98/41/832289841.db2.gz XZCGNKOMCPBNBH-VXGBXAGGSA-N 1 0 326.397 -0.042 20 5 EBBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCCNC(=O)c1ccc(C(N)=O)[nH]1 ZINC001166826585 832291023 /nfs/dbraw/zinc/29/10/23/832291023.db2.gz PAQBFZYKQSCBPI-UHFFFAOYSA-N 1 0 349.351 -0.335 20 5 EBBDRO CC[NH+]1CCN(C2CN(C(=O)Cn3cc([N+](=O)[O-])nc3C)C2)CC1 ZINC001353073393 832398501 /nfs/dbraw/zinc/39/85/01/832398501.db2.gz XFLGNQXXQRSRFO-UHFFFAOYSA-N 1 0 336.396 -0.052 20 5 EBBDRO CS(=O)(=O)N1CC(Nc2ncnc(C3C[NH2+]C3)c2[N+](=O)[O-])C1 ZINC001168220392 832404232 /nfs/dbraw/zinc/40/42/32/832404232.db2.gz IIFGZNKAOTZMKB-UHFFFAOYSA-N 1 0 328.354 -0.873 20 5 EBBDRO NC(=O)C[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCOCC1 ZINC001175782376 832644848 /nfs/dbraw/zinc/64/48/48/832644848.db2.gz KSBXZFPNUDIFPS-GFCCVEGCSA-N 1 0 327.341 -0.882 20 5 EBBDRO O=C1NCC2(CCOCC2)[C@@H]1[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001176504880 832676652 /nfs/dbraw/zinc/67/66/52/832676652.db2.gz IXGPWCZGBUASDK-NWDGAFQWSA-N 1 0 339.352 -0.963 20 5 EBBDRO COC(=O)COc1ccc(C[NH2+]C[C@@H](O)[C@@H](C)O)cc1[N+](=O)[O-] ZINC001179274851 832965703 /nfs/dbraw/zinc/96/57/03/832965703.db2.gz UJFVEYLAOQRFOQ-BXKDBHETSA-N 1 0 328.321 -0.022 20 5 EBBDRO O=C(C[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)Nc1ccon1 ZINC001200471009 835971989 /nfs/dbraw/zinc/97/19/89/835971989.db2.gz CARDXZORGTVCBS-GHMZBOCLSA-N 1 0 337.336 -0.141 20 5 EBBDRO CCN(C)C(=O)C[NH2+]CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001205224734 836555562 /nfs/dbraw/zinc/55/55/62/836555562.db2.gz YDEIJMLIRRWXEH-CHWSQXEVSA-N 1 0 326.397 -0.042 20 5 EBBDRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC001320477272 838778316 /nfs/dbraw/zinc/77/83/16/838778316.db2.gz OZZAILLGAZBVMS-LLVKDONJSA-N 1 0 325.373 -0.672 20 5 EBBDRO C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC001322824075 839275741 /nfs/dbraw/zinc/27/57/41/839275741.db2.gz OABJHULONVAQOZ-NSHDSACASA-N 1 0 338.368 -0.682 20 5 EBBDRO C[NH+](C)C[C@H]1CCN(C(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC001322824071 839276480 /nfs/dbraw/zinc/27/64/80/839276480.db2.gz OABJHULONVAQOZ-LLVKDONJSA-N 1 0 338.368 -0.682 20 5 EBBDRO CN(CCC[NH+](C)C)C(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC001323670369 839496828 /nfs/dbraw/zinc/49/68/28/839496828.db2.gz WQNYCNCMXIGPQL-UHFFFAOYSA-N 1 0 326.357 -0.682 20 5 EBBDRO O=C(NCc1cccc([N+](=O)[O-])c1)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC001326851640 840219451 /nfs/dbraw/zinc/21/94/51/840219451.db2.gz FRZQGTJXOBQBCZ-UONOGXRCSA-N 1 0 348.359 -0.512 20 5 EBBDRO CS(=O)(=O)CC1(CC[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC001329963086 841076867 /nfs/dbraw/zinc/07/68/67/841076867.db2.gz DBQOFEJRUMJGKR-GFCCVEGCSA-N 1 0 346.409 -0.043 20 5 EBBDRO CC1([NH+]2CCOCC2)CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC1 ZINC001331820619 841510444 /nfs/dbraw/zinc/51/04/44/841510444.db2.gz IPSKHTKNGBAPPR-UHFFFAOYSA-N 1 0 338.368 -0.100 20 5 EBBDRO COCCC[NH+]1CCN(CCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001691933670 1125876928 /nfs/dbraw/zinc/87/69/28/1125876928.db2.gz NWUIGBFUGKYDRN-ZIAGYGMSSA-N 1 0 328.413 -0.236 20 5 EBBDRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000264469383 283322948 /nfs/dbraw/zinc/32/29/48/283322948.db2.gz KUCAMICQJDGWHC-NSHDSACASA-N 1 0 337.336 -0.235 20 5 EBBDRO CC[NH+](CC)CC[C@H](CO)NC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000535835081 375944165 /nfs/dbraw/zinc/94/41/65/375944165.db2.gz HBFPDTRAAIYOFR-GFCCVEGCSA-N 1 0 340.380 -0.035 20 5 EBBDRO NC(=O)C1(O)CC[NH+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000340216189 376699851 /nfs/dbraw/zinc/69/98/51/376699851.db2.gz BJFQSPXKMHBMBZ-GFCCVEGCSA-N 1 0 339.348 -0.353 20 5 EBBDRO Cc1c(CNC(=O)C(=O)N2CCN(C)C[C@@H]2C[NH3+])cccc1[N+](=O)[O-] ZINC000580294288 377449580 /nfs/dbraw/zinc/44/95/80/377449580.db2.gz HIRUCJLDRNSSSL-ZDUSSCGKSA-N 1 0 349.391 -0.379 20 5 EBBDRO [NH3+][C@H]1C[C@H]2CN(C(=O)COc3cccc([N+](=O)[O-])c3)CCN2C1=O ZINC000565841959 377452371 /nfs/dbraw/zinc/45/23/71/377452371.db2.gz BATJTRGVJKRFAY-AAEUAGOBSA-N 1 0 334.332 -0.256 20 5 EBBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C[C@H]2CCCCS2(=O)=O)c1 ZINC000566674213 377600497 /nfs/dbraw/zinc/60/04/97/377600497.db2.gz FNDIDEIZUQDZEB-NWDGAFQWSA-N 1 0 332.382 -0.291 20 5 EBBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)NCC(=O)N1CC[NH2+]CC1 ZINC000591355953 377709969 /nfs/dbraw/zinc/70/99/69/377709969.db2.gz IPRVTIHDHRFVQS-UHFFFAOYSA-N 1 0 335.364 -0.132 20 5 EBBDRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1c1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000591985436 377777775 /nfs/dbraw/zinc/77/77/75/377777775.db2.gz NKPMXIVCMRSFDL-VIFPVBQESA-N 1 0 336.352 -0.355 20 5 EBBDRO COC(=O)[C@@H]1C[C@@H](O)C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000592195983 377801530 /nfs/dbraw/zinc/80/15/30/377801530.db2.gz IVOAOFFGNFJJNG-JLLWLGSASA-N 1 0 328.325 -0.992 20 5 EBBDRO O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])NCC1C[NH2+]C1 ZINC000592540836 377840564 /nfs/dbraw/zinc/84/05/64/377840564.db2.gz PVYOSCFMNQHSSY-UHFFFAOYSA-N 1 0 328.350 -0.791 20 5 EBBDRO C[C@@H]([NH3+])CNC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000592333785 377819631 /nfs/dbraw/zinc/81/96/31/377819631.db2.gz POVWLVWZERGFIP-SECBINFHSA-N 1 0 330.366 -0.273 20 5 EBBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCO[C@H](C[NH3+])C1 ZINC000592375289 377821203 /nfs/dbraw/zinc/82/12/03/377821203.db2.gz BEHLGJFOPNZSQG-SECBINFHSA-N 1 0 331.350 -0.048 20 5 EBBDRO O=C(NCCn1cc([N+](=O)[O-])cn1)C1(n2cccn2)CC[NH2+]CC1 ZINC000592564668 377840744 /nfs/dbraw/zinc/84/07/44/377840744.db2.gz OKBSOFJRALHNPY-UHFFFAOYSA-N 1 0 333.352 -0.117 20 5 EBBDRO C[NH+](C)CCN1CCN(c2ncc([N+](=O)[O-])cc2C(N)=O)CC1=O ZINC000593486056 377889350 /nfs/dbraw/zinc/88/93/50/377889350.db2.gz ILNZXWBUKQAAOF-UHFFFAOYSA-N 1 0 336.352 -0.701 20 5 EBBDRO Cc1c(NC(=O)CCN(CC[NH3+])C[C@H](O)CO)cccc1[N+](=O)[O-] ZINC000595901517 378034292 /nfs/dbraw/zinc/03/42/92/378034292.db2.gz FDBBFLUDECNYPK-LBPRGKRZSA-N 1 0 340.380 -0.154 20 5 EBBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN(CC[NH3+])C[C@@H](O)CO ZINC000595901161 378034755 /nfs/dbraw/zinc/03/47/55/378034755.db2.gz BVTHGUZKSNATBV-LLVKDONJSA-N 1 0 326.353 -0.544 20 5 EBBDRO C[NH2+]C[C@@H](C)NC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000595982672 378045236 /nfs/dbraw/zinc/04/52/36/378045236.db2.gz LMWMVDQNHOIWCS-SNVBAGLBSA-N 1 0 344.393 -0.013 20 5 EBBDRO C[NH2+]C[C@@H](C)NC(=O)c1cc(S(N)(=O)=O)cc([N+](=O)[O-])c1C ZINC000595984594 378046717 /nfs/dbraw/zinc/04/67/17/378046717.db2.gz WQELCUJWRGJYJN-SSDOTTSWSA-N 1 0 330.366 -0.112 20 5 EBBDRO C[C@@]1(NC(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC[NH2+]C1 ZINC000595990979 378049536 /nfs/dbraw/zinc/04/95/36/378049536.db2.gz FCPBUMRIBJCWNX-CYBMUJFWSA-N 1 0 342.377 -0.259 20 5 EBBDRO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000597943320 378143633 /nfs/dbraw/zinc/14/36/33/378143633.db2.gz XTCLKXMXQDRZTN-NSHDSACASA-N 1 0 327.389 -0.426 20 5 EBBDRO C[N@@H+]1CCN(CC[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1(C)C ZINC000567701908 378185184 /nfs/dbraw/zinc/18/51/84/378185184.db2.gz NTMGDTPTAFVSDF-CQSZACIVSA-N 1 0 340.428 -0.232 20 5 EBBDRO C[NH+](C)C[C@](C)(O)CNc1ncnc(N2CCOCC2)c1[N+](=O)[O-] ZINC000598607209 378175150 /nfs/dbraw/zinc/17/51/50/378175150.db2.gz LHFDBEMKKFLJNQ-CQSZACIVSA-N 1 0 340.384 -0.054 20 5 EBBDRO COCC[NH2+]C1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000570288794 378510051 /nfs/dbraw/zinc/51/00/51/378510051.db2.gz DDKVMGXIGAFJAE-UHFFFAOYSA-N 1 0 338.364 -0.017 20 5 EBBDRO C[C@H](NC(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000563522903 379039236 /nfs/dbraw/zinc/03/92/36/379039236.db2.gz UZIBSODGRMHYHX-SMDDNHRTSA-N 1 0 349.391 -0.127 20 5 EBBDRO CNS(=O)(=O)CC[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000571159494 379089102 /nfs/dbraw/zinc/08/91/02/379089102.db2.gz PWYPAZQEMUPCOC-SNVBAGLBSA-N 1 0 333.366 -0.527 20 5 EBBDRO CS(=O)(=O)N1CCC[C@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000400167434 379185780 /nfs/dbraw/zinc/18/57/80/379185780.db2.gz ZEKNWKCOJVXTBE-CMPLNLGQSA-N 1 0 347.397 -0.834 20 5 EBBDRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000419466935 379339937 /nfs/dbraw/zinc/33/99/37/379339937.db2.gz RVKZNRQOHTYYDX-LBPRGKRZSA-N 1 0 340.384 -0.261 20 5 EBBDRO C[NH+](C)CCN1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000114676379 379376006 /nfs/dbraw/zinc/37/60/06/379376006.db2.gz FYVMLSAFBGMYIK-UHFFFAOYSA-N 1 0 337.380 -0.538 20 5 EBBDRO CCCc1n[nH]c(C(=O)N2CCCN(CC(N)=O)CC2)c1[N+](=O)[O-] ZINC000369142111 379378720 /nfs/dbraw/zinc/37/87/20/379378720.db2.gz AXLUAIVXIMLTEW-UHFFFAOYSA-N 1 0 338.368 -0.096 20 5 EBBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000619873712 379381447 /nfs/dbraw/zinc/38/14/47/379381447.db2.gz RAUYFDIBXLBMKA-CYBMUJFWSA-N 1 0 336.396 -0.004 20 5 EBBDRO C[C@H](O)C[N@@H+]1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H](C)C1 ZINC000249525203 379369627 /nfs/dbraw/zinc/36/96/27/379369627.db2.gz XUUCDMMQUSHKIW-OBJOEFQTSA-N 1 0 327.385 -0.461 20 5 EBBDRO O=C(NCCn1cc([N+](=O)[O-])cn1)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000372037835 379412995 /nfs/dbraw/zinc/41/29/95/379412995.db2.gz QUGZYBSLRAAPCL-AAEUAGOBSA-N 1 0 338.368 -0.046 20 5 EBBDRO NC(=O)[C@@]1(O)CC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000276480392 379477473 /nfs/dbraw/zinc/47/74/73/379477473.db2.gz SADCLKSHZNTNGZ-BXUZGUMPSA-N 1 0 325.321 -0.743 20 5 EBBDRO O=C1N[C@H]2CC[N@@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C[C@@H]2CO1 ZINC000281245687 379520431 /nfs/dbraw/zinc/52/04/31/379520431.db2.gz GLIMCGQHNOKUIU-USWWRNFRSA-N 1 0 325.325 -0.418 20 5 EBBDRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000351252405 379597251 /nfs/dbraw/zinc/59/72/51/379597251.db2.gz KCTLTAPTHXIDEH-NSHDSACASA-N 1 0 336.352 -0.358 20 5 EBBDRO Cc1nn(CCC(=O)NCC[N@@H+]2CC[C@H](O)C2)c(C)c1[N+](=O)[O-] ZINC000600807510 379659953 /nfs/dbraw/zinc/65/99/53/379659953.db2.gz IGFZXCCSIWKQCY-LBPRGKRZSA-N 1 0 325.369 -0.019 20 5 EBBDRO O=C(Cn1cnc([N+](=O)[O-])n1)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000604573555 379706643 /nfs/dbraw/zinc/70/66/43/379706643.db2.gz VOJDZVXIGQCGJV-LBPRGKRZSA-N 1 0 338.368 -0.100 20 5 EBBDRO O=C(c1cc([N+](=O)[O-])n[nH]1)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000354535038 379707843 /nfs/dbraw/zinc/70/78/43/379707843.db2.gz DSFLWOFEGCTTMN-UHFFFAOYSA-N 1 0 339.352 -0.383 20 5 EBBDRO [NH3+][C@@H]1C[C@H]2CN(CC(=O)Nc3ccccc3[N+](=O)[O-])CCN2C1=O ZINC000574292620 379948867 /nfs/dbraw/zinc/94/88/67/379948867.db2.gz PAZJAXHZNKTHDE-WDEREUQCSA-N 1 0 333.348 -0.223 20 5 EBBDRO CNC(=O)C[C@@H](C)[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000268795932 380083389 /nfs/dbraw/zinc/08/33/89/380083389.db2.gz DNKFWIUSDWQYOQ-SNVBAGLBSA-N 1 0 344.393 -0.013 20 5 EBBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H](C)C(=O)NCC[NH+](C)C ZINC000579397487 380987475 /nfs/dbraw/zinc/98/74/75/380987475.db2.gz SGCJVABXFXKVGC-VIFPVBQESA-N 1 0 326.357 -0.718 20 5 EBBDRO NC(=O)[C@@H]1CC[C@H](C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])O1 ZINC000580828943 381038086 /nfs/dbraw/zinc/03/80/86/381038086.db2.gz RYVSWCAOYWNZBR-WDMOLILDSA-N 1 0 339.348 -0.043 20 5 EBBDRO [NH3+][C@H]1C[C@H]2CN(c3nc4ccc([N+](=O)[O-])cc4c(=O)[nH]3)CCN2C1=O ZINC000583575489 381515531 /nfs/dbraw/zinc/51/55/31/381515531.db2.gz HOBWTVFIOAGNDD-ONGXEEELSA-N 1 0 344.331 -0.008 20 5 EBBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)n1 ZINC000576887225 381930467 /nfs/dbraw/zinc/93/04/67/381930467.db2.gz FIPCKSGQVDVHGZ-RKDXNWHRSA-N 1 0 335.320 -0.475 20 5 EBBDRO O=C(NCCn1cc([N+](=O)[O-])cn1)NCC[N@@H+]1CCCOCC1 ZINC000187317288 154146599 /nfs/dbraw/zinc/14/65/99/154146599.db2.gz PBSGQEHFQHWSTQ-UHFFFAOYSA-N 1 0 326.357 -0.187 20 5 EBBDRO C[C@H]([NH3+])CC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000261745648 154200647 /nfs/dbraw/zinc/20/06/47/154200647.db2.gz GWYOUKAYWWMVJC-VIFPVBQESA-N 1 0 330.366 -0.273 20 5 EBBDRO O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCC[NH2+]1 ZINC000261855962 154202983 /nfs/dbraw/zinc/20/29/83/154202983.db2.gz QPKXVWVSOTWVCV-GFCCVEGCSA-N 1 0 342.377 -0.259 20 5 EBBDRO C[C@H](C[NH3+])C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000262486336 154232853 /nfs/dbraw/zinc/23/28/53/154232853.db2.gz HFKYLAZFSIMWIS-SECBINFHSA-N 1 0 330.366 -0.416 20 5 EBBDRO O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CC[NH2+]CC1 ZINC000262481189 154233024 /nfs/dbraw/zinc/23/30/24/154233024.db2.gz TWJRBEOGFHXQSX-UHFFFAOYSA-N 1 0 342.377 -0.305 20 5 EBBDRO CC[NH2+]CCNC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000262529052 154236204 /nfs/dbraw/zinc/23/62/04/154236204.db2.gz FDLDAYSGXFMEJC-UHFFFAOYSA-N 1 0 344.393 -0.011 20 5 EBBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)C[NH3+])CC1 ZINC000263245185 154256892 /nfs/dbraw/zinc/25/68/92/154256892.db2.gz MQUCPDSNZGBIGW-UHFFFAOYSA-N 1 0 342.377 -0.305 20 5 EBBDRO C[NH+](C)CC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000263900452 154267945 /nfs/dbraw/zinc/26/79/45/154267945.db2.gz QZZDTPUJIMQGRA-UHFFFAOYSA-N 1 0 330.366 -0.449 20 5 EBBDRO CC1(C)OCC(CO)([NH2+]CCn2cc([N+](=O)[O-])ccc2=O)CO1 ZINC000291169846 155015771 /nfs/dbraw/zinc/01/57/71/155015771.db2.gz NCBZKIWZQJCKHG-UHFFFAOYSA-N 1 0 327.337 -0.140 20 5 EBBDRO [NH3+]C1(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CCC1 ZINC000295512281 155070342 /nfs/dbraw/zinc/07/03/42/155070342.db2.gz VBBLZKBGYJONPX-UHFFFAOYSA-N 1 0 342.377 -0.129 20 5 EBBDRO O=C(Cn1cnc([N+](=O)[O-])n1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000343205681 156114620 /nfs/dbraw/zinc/11/46/20/156114620.db2.gz RSKXJPLQDWESNN-UHFFFAOYSA-N 1 0 338.368 -0.243 20 5 EBBDRO Cc1nn(CCC(=O)NC[C@@]2(O)CC[N@@H+](C)C2)c(C)c1[N+](=O)[O-] ZINC000358056122 157205416 /nfs/dbraw/zinc/20/54/16/157205416.db2.gz ZQSWDSFDYDZDIV-AWEZNQCLSA-N 1 0 325.369 -0.019 20 5 EBBDRO C[N@@H+]1CC[C@@](O)(CNC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000358419144 157242573 /nfs/dbraw/zinc/24/25/73/157242573.db2.gz IFRMRVICMLRRMG-OAHLLOKOSA-N 1 0 336.348 -0.493 20 5 EBBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000321453822 419051231 /nfs/dbraw/zinc/05/12/31/419051231.db2.gz QOIRULGPFPJNFI-NSHDSACASA-N 1 0 344.393 -0.133 20 5 EBBDRO O=C(N[C@H]1CC[NH2+]C1)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000521274022 420898171 /nfs/dbraw/zinc/89/81/71/420898171.db2.gz RCZFLJSRTZVYSI-NSHDSACASA-N 1 0 348.363 -0.884 20 5 EBBDRO C[C@H](C[NH3+])NC(=O)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000420026487 420908561 /nfs/dbraw/zinc/90/85/61/420908561.db2.gz JNVJYWUQBIASCM-LLVKDONJSA-N 1 0 335.364 -0.293 20 5 EBBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CCN(CCn2cncn2)CC1 ZINC000531152737 420927695 /nfs/dbraw/zinc/92/76/95/420927695.db2.gz WIUYRHSHERGBCD-UHFFFAOYSA-N 1 0 333.352 -0.017 20 5 EBBDRO CNc1nccc(C(=O)N2CC[C@H]([N@@H+]3CC[C@@H](O)C3)C2)c1[N+](=O)[O-] ZINC000599938708 421220783 /nfs/dbraw/zinc/22/07/83/421220783.db2.gz FDFGTZYZVDDVFH-WDEREUQCSA-N 1 0 335.364 0.313 20 5 EBBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000424042219 265046546 /nfs/dbraw/zinc/04/65/46/265046546.db2.gz ASXQPRKWAAJLSD-LEWSCRJBSA-N 1 0 348.359 -0.088 20 5 EBBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000424042218 265046817 /nfs/dbraw/zinc/04/68/17/265046817.db2.gz ASXQPRKWAAJLSD-DDTOSNHZSA-N 1 0 348.359 -0.088 20 5 EBBDRO [NH3+][C@@H]1CCN(C(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000428475132 265125394 /nfs/dbraw/zinc/12/53/94/265125394.db2.gz BJBARJLRUFZVMD-SNVBAGLBSA-N 1 0 342.377 -0.177 20 5 EBBDRO CC(C)(C[NH3+])C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000430389670 265148548 /nfs/dbraw/zinc/14/85/48/265148548.db2.gz BVOUSWXYNCIBMV-UHFFFAOYSA-N 1 0 344.393 -0.026 20 5 EBBDRO O=C(NCC[N@H+]1CC[C@@H](O)C1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000600529779 546004912 /nfs/dbraw/zinc/00/49/12/546004912.db2.gz ZPIADIMWBLBQKM-GFCCVEGCSA-N 1 0 346.347 -0.028 20 5 EBBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@@H](O)CN2CCOCC2)c1 ZINC000843061012 584070852 /nfs/dbraw/zinc/07/08/52/584070852.db2.gz WOJBICJZDSKESX-HUUCEWRRSA-N 1 0 325.365 -0.089 20 5 EBBDRO O=C1OCCN1[C@H]1CC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000852431644 584212452 /nfs/dbraw/zinc/21/24/52/584212452.db2.gz FEDPAVSWCFOEKH-JQWIXIFHSA-N 1 0 325.325 -0.321 20 5 EBBDRO [NH3+]CCN(CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C[C@@H](O)CO ZINC000852753929 584215659 /nfs/dbraw/zinc/21/56/59/584215659.db2.gz WDEWRUKHYRKERH-LLVKDONJSA-N 1 0 344.343 -0.324 20 5 EBBDRO C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000863764319 584377477 /nfs/dbraw/zinc/37/74/77/584377477.db2.gz CCYDINVATCIJGB-JTQLQIEISA-N 1 0 338.368 -0.240 20 5 EBBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H](O)C[NH+](C)C ZINC000361086229 584699411 /nfs/dbraw/zinc/69/94/11/584699411.db2.gz MTIHTYPDYCFROF-JTQLQIEISA-N 1 0 340.336 -0.419 20 5 EBBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@H]1C[NH2+]CCN1C ZINC000394070330 650008232 /nfs/dbraw/zinc/00/82/32/650008232.db2.gz UYPQKRRUSOLNSD-LLVKDONJSA-N 1 0 344.393 -0.215 20 5 EBBDRO O=C(NC1CC[NH+](CCN2CCNC2=O)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001002787338 726647991 /nfs/dbraw/zinc/64/79/91/726647991.db2.gz JABKVRNQULMSSA-VXGBXAGGSA-N 1 0 325.369 -0.743 20 5 EBBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1C[C@H](NC(=O)C2=COCCO2)C1 ZINC001019965398 729051842 /nfs/dbraw/zinc/05/18/42/729051842.db2.gz ZTOQCOOLVAEIHK-MGCOHNPYSA-N 1 0 337.336 -0.047 20 5 EBBDRO Cc1nonc1CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2c([N+](=O)[O-])ncn2C)C1 ZINC001022918376 729554355 /nfs/dbraw/zinc/55/43/55/729554355.db2.gz KQWXUCAZRUVFTO-AOOOYVTPSA-N 1 0 349.351 -0.001 20 5 EBBDRO CC(C)[N@H+](C)CC(=O)N1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@H]2C1 ZINC001055331542 736333418 /nfs/dbraw/zinc/33/34/18/736333418.db2.gz MNXYJANNPVSWKS-XJFOESAGSA-N 1 0 338.408 -0.091 20 5 EBBDRO COCCC(=O)NCC[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001055477542 736350130 /nfs/dbraw/zinc/35/01/30/736350130.db2.gz NSUFHUKMYWLJOH-CHWSQXEVSA-N 1 0 342.396 -0.615 20 5 EBBDRO CCC[N@H+](C)CCC(=O)NCCN(CCO)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001057544531 737323611 /nfs/dbraw/zinc/32/36/11/737323611.db2.gz GLKGQCRLDGIEHY-CHWSQXEVSA-N 1 0 344.412 -0.679 20 5 EBBDRO C[NH+](C)C1(C(=O)N(CCO)CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCC1 ZINC001057875450 737494451 /nfs/dbraw/zinc/49/44/51/737494451.db2.gz WDJWXHNWTHENEO-VXGBXAGGSA-N 1 0 342.396 -0.927 20 5 EBBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]C[C@H]1C[C@H](NC(=O)Cn2nccn2)C1 ZINC000983767417 807093299 /nfs/dbraw/zinc/09/32/99/807093299.db2.gz MQUFOYNIEDFJLR-XYPYZODXSA-N 1 0 348.367 -0.396 20 5 EBBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]C[C@H]1C[C@H](NC(=O)Cn2cncn2)C1 ZINC000985101138 807443439 /nfs/dbraw/zinc/44/34/39/807443439.db2.gz OSBSCVNHZIEQDB-XYPYZODXSA-N 1 0 348.367 -0.396 20 5 EBBDRO CCN(C)C(=O)C[NH+]1CCC(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001223106433 811682689 /nfs/dbraw/zinc/68/26/89/811682689.db2.gz SXKBLHCJPZXNED-CHWSQXEVSA-N 1 0 326.397 -0.042 20 5 EBBDRO CCOC(=O)Cc1cncnc1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001228313759 811975180 /nfs/dbraw/zinc/97/51/80/811975180.db2.gz MGPHCWPOXCFJQN-GFCCVEGCSA-N 1 0 326.373 -0.055 20 5 EBBDRO C[C@@H]1CCN(C(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)[C@H](C[NH3+])C1 ZINC001261632833 812955067 /nfs/dbraw/zinc/95/50/67/812955067.db2.gz OJFFHTYXNOVREC-MNOVXSKESA-N 1 0 338.368 -0.507 20 5 EBBDRO O=C(NC[C@H]1C[C@@H]([NH2+]CCN2C(=O)CCC2=O)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001086084129 816225741 /nfs/dbraw/zinc/22/57/41/816225741.db2.gz DUKQUHVDQNQLAF-WRWGMCAJSA-N 1 0 338.364 -0.715 20 5 EBBDRO CN(C)C(=O)C[N@H+](CCO)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001098366067 819153113 /nfs/dbraw/zinc/15/31/13/819153113.db2.gz VNEVLRGUKIRQCZ-CHWSQXEVSA-N 1 0 342.396 -0.975 20 5 EBBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C[C@@H]2COC3(CCOCC3)O2)c1 ZINC001118149359 826860628 /nfs/dbraw/zinc/86/06/28/826860628.db2.gz DJWOIJAQSMNBSH-QWHCGFSZSA-N 1 0 342.352 -0.336 20 5 EBBDRO Cn1cnn(CCC(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)c1=O ZINC001131762532 829205522 /nfs/dbraw/zinc/20/55/22/829205522.db2.gz DYCVRTVJTYLOIT-UHFFFAOYSA-N 1 0 348.363 -0.214 20 5 EBBDRO C[C@@H](CNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)N1CC[NH+](C)CC1 ZINC001144219430 830160788 /nfs/dbraw/zinc/16/07/88/830160788.db2.gz GFANFQYWKPZMIU-LBPRGKRZSA-N 1 0 337.380 -0.491 20 5 EBBDRO CN1C(=O)CN(CC(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])C1=O ZINC001147643951 830378022 /nfs/dbraw/zinc/37/80/22/830378022.db2.gz AADGWYOHWJEAHP-UHFFFAOYSA-N 1 0 349.347 -0.305 20 5 EBBDRO CNS(=O)(=O)CC(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001151373675 831065084 /nfs/dbraw/zinc/06/50/84/831065084.db2.gz SUHOFTTUSTXSSX-UHFFFAOYSA-N 1 0 330.366 -0.650 20 5 EBBDRO CNS(=O)(=O)CC(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001151373151 831065549 /nfs/dbraw/zinc/06/55/49/831065549.db2.gz KFSVEUJVNOBYEA-UHFFFAOYSA-N 1 0 330.366 -0.650 20 5 EBBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCCNC(=O)CCc1nnc[nH]1 ZINC001156328414 831469242 /nfs/dbraw/zinc/46/92/42/831469242.db2.gz SEDAZCWXMREPFL-UHFFFAOYSA-N 1 0 336.356 -0.325 20 5 EBBDRO Cc1cc(NC(=O)C[NH2+]CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])on1 ZINC001157760631 831590940 /nfs/dbraw/zinc/59/09/40/831590940.db2.gz GCJLJAAFYPDMQP-NXEZZACHSA-N 1 0 325.325 -0.317 20 5 EBBDRO CCOC(=O)c1nc(Cl)nc(-n2nnnc2C[NH3+])c1[N+](=O)[O-] ZINC001158074384 831625185 /nfs/dbraw/zinc/62/51/85/831625185.db2.gz CQRCOJNAQSPERZ-UHFFFAOYSA-N 1 0 328.676 -0.351 20 5 EBBDRO CS(=O)(=O)c1ccc(N[C@@]23CC[NH2+][C@@H]2CC(=O)N3)c([N+](=O)[O-])c1 ZINC001163254595 832094314 /nfs/dbraw/zinc/09/43/14/832094314.db2.gz OKNSNGUSIHWXSM-DGCLKSJQSA-N 1 0 340.361 -0.012 20 5 EBBDRO O=C1CN(c2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)CC(=O)N1C1CC1 ZINC001164189193 832176059 /nfs/dbraw/zinc/17/60/59/832176059.db2.gz TULWPSJBQCIWBP-UHFFFAOYSA-N 1 0 332.320 -0.591 20 5 EBBDRO COC(=O)C(C(=O)OC)c1ncc(N2CC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC001164280622 832179974 /nfs/dbraw/zinc/17/99/74/832179974.db2.gz BPEYVJWRFMWVTP-MRVPVSSYSA-N 1 0 338.320 -0.043 20 5 EBBDRO O=C1CN(c2c(Cl)[n+]([O-])ccc2[N+](=O)[O-])CC2(CC[NH2+]CC2)N1 ZINC001165256208 832208900 /nfs/dbraw/zinc/20/89/00/832208900.db2.gz QBIPLDZEVIXGGS-UHFFFAOYSA-N 1 0 341.755 -0.060 20 5 EBBDRO CCOC(=O)c1ccnc(N2CCNC(=O)C23C[NH2+]C3)c1[N+](=O)[O-] ZINC001165300877 832213228 /nfs/dbraw/zinc/21/32/28/832213228.db2.gz MQVGWHDIDUUYNC-UHFFFAOYSA-N 1 0 335.320 -0.555 20 5 EBBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCCCCCNC(=O)C(N)=O ZINC001179435424 832978190 /nfs/dbraw/zinc/97/81/90/832978190.db2.gz DHVJVZBNBJQVCQ-UHFFFAOYSA-N 1 0 326.357 -0.420 20 5 EBBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]C1CCN(C(=O)CNC(N)=O)CC1 ZINC001199274598 835786480 /nfs/dbraw/zinc/78/64/80/835786480.db2.gz SKPIEPRUONAKBU-UHFFFAOYSA-N 1 0 339.356 -0.923 20 5 EBBDRO CS(=O)(=O)CCC[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001200471362 835971528 /nfs/dbraw/zinc/97/15/28/835971528.db2.gz FOBUJMBDFCMTDM-VXGBXAGGSA-N 1 0 333.410 -0.333 20 5 EBBDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC001319458158 838131878 /nfs/dbraw/zinc/13/18/78/838131878.db2.gz KYPZCGNGRYFLRL-UTUOFQBUSA-N 1 0 338.368 -0.104 20 5 EBBDRO CC(C)(CO)[NH+]1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC001319488687 838138706 /nfs/dbraw/zinc/13/87/06/838138706.db2.gz GNTNNWDYXIOOPA-ZDUSSCGKSA-N 1 0 327.385 -0.459 20 5 EBBDRO CS(=O)(=O)CC1(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC001326156612 840052411 /nfs/dbraw/zinc/05/24/11/840052411.db2.gz RDYDVVZIGOMQBL-LLVKDONJSA-N 1 0 332.382 -0.433 20 5 EBBDRO Cn1cc(C[C@H](CO)C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cn1 ZINC001328412543 840672114 /nfs/dbraw/zinc/67/21/14/840672114.db2.gz IMFAJFJRMQEIQY-GXTWGEPZSA-N 1 0 338.368 -0.674 20 5 EBBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CCC[NH2+]1 ZINC001328732645 840736432 /nfs/dbraw/zinc/73/64/32/840736432.db2.gz LJGCRIJDFLJPHX-LLVKDONJSA-N 1 0 336.348 -0.042 20 5 EBBDRO O=C(NC[C@H]1COCC[NH2+]1)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001330052445 841104020 /nfs/dbraw/zinc/10/40/20/841104020.db2.gz OHPZNALMDSSYIY-ZDUSSCGKSA-N 1 0 348.359 -0.416 20 5 EBBDRO O=[N+]([O-])c1cnn(C[C@H](O)CN2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c1 ZINC001330089650 841113366 /nfs/dbraw/zinc/11/33/66/841113366.db2.gz UEZZOGDIRFMXBC-KFWWJZLASA-N 1 0 339.396 -0.317 20 5 EBBDRO C[C@@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1(S(C)(=O)=O)CC1 ZINC001331973356 841541675 /nfs/dbraw/zinc/54/16/75/841541675.db2.gz VUMPOFLDROZNNP-MWLCHTKSSA-N 1 0 332.382 -0.293 20 5 EBBDRO C[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1(S(C)(=O)=O)CC1 ZINC001331973358 841541812 /nfs/dbraw/zinc/54/18/12/841541812.db2.gz VUMPOFLDROZNNP-ONGXEEELSA-N 1 0 332.382 -0.293 20 5 EBBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000588863573 376397924 /nfs/dbraw/zinc/39/79/24/376397924.db2.gz QJCCAMLTIPMTQT-DGCLKSJQSA-N 1 0 336.348 -0.576 20 5 EBBDRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC000071946051 376560926 /nfs/dbraw/zinc/56/09/26/376560926.db2.gz XLKYJWXTMKEKHP-NSHDSACASA-N 1 0 326.357 -0.341 20 5 EBBDRO CC[C@@H](CO)[NH+]1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000131346970 376926819 /nfs/dbraw/zinc/92/68/19/376926819.db2.gz MTNKKFRETCQPAG-LBPRGKRZSA-N 1 0 338.364 -0.328 20 5 EBBDRO CN(C)C(=O)[C@@H]1CC[C@@H](C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)O1 ZINC000562991010 377067998 /nfs/dbraw/zinc/06/79/98/377067998.db2.gz LLAOARMRFYONIP-AGIUHOORSA-N 1 0 341.368 -0.622 20 5 EBBDRO O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)c1cc([N+](=O)[O-])n[nH]1 ZINC000586782720 377132105 /nfs/dbraw/zinc/13/21/05/377132105.db2.gz NHWGONYCIOLXBW-LLVKDONJSA-N 1 0 338.368 -0.546 20 5 EBBDRO CN(C(=O)CN1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000570412254 377244337 /nfs/dbraw/zinc/24/43/37/377244337.db2.gz WYXCQIMHNMPNKT-UONOGXRCSA-N 1 0 347.375 -0.199 20 5 EBBDRO O=C1CNC(=O)N1CC[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000570795492 377282280 /nfs/dbraw/zinc/28/22/80/377282280.db2.gz VNOVYKGEDZJGOQ-NSHDSACASA-N 1 0 338.320 -0.524 20 5 EBBDRO [NH3+][C@@H]1C[C@@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])s3)CCN2C1=O ZINC000580097029 377354779 /nfs/dbraw/zinc/35/47/79/377354779.db2.gz XUZAJGWYQKAMBA-HTQZYQBOSA-N 1 0 346.390 -0.411 20 5 EBBDRO [NH3+][C@@H]1C[C@H]2CN(C(=O)COc3cccc([N+](=O)[O-])c3)CCN2C1=O ZINC000565841965 377452559 /nfs/dbraw/zinc/45/25/59/377452559.db2.gz BATJTRGVJKRFAY-WCQYABFASA-N 1 0 334.332 -0.256 20 5 EBBDRO CN(C)C(=O)[C@@H]1CC[C@@H](C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)O1 ZINC000562991011 377416926 /nfs/dbraw/zinc/41/69/26/377416926.db2.gz LLAOARMRFYONIP-AVGNSLFASA-N 1 0 341.368 -0.622 20 5 EBBDRO [NH3+]C[C@H]1CCN(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000592468880 377837156 /nfs/dbraw/zinc/83/71/56/377837156.db2.gz OCZBQKFPUGFYEH-SNVBAGLBSA-N 1 0 342.377 -0.320 20 5 EBBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CN(CC[NH+](C)C)C(=O)[C@@H]1C ZINC000592880136 377856704 /nfs/dbraw/zinc/85/67/04/377856704.db2.gz NSHXZTABWNKSHF-JTQLQIEISA-N 1 0 338.368 -0.322 20 5 EBBDRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000592878579 377856722 /nfs/dbraw/zinc/85/67/22/377856722.db2.gz HASJJPIVAAXHIV-LLVKDONJSA-N 1 0 338.368 -0.240 20 5 EBBDRO CN(CC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1)c1ccccc1[N+](=O)[O-] ZINC000594885710 377967472 /nfs/dbraw/zinc/96/74/72/377967472.db2.gz CNVWHAGGONMSGQ-VXGBXAGGSA-N 1 0 347.375 -0.199 20 5 EBBDRO C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000595282079 377991735 /nfs/dbraw/zinc/99/17/35/377991735.db2.gz UOUSZCSJSDXGRM-GFCCVEGCSA-N 1 0 349.391 -0.033 20 5 EBBDRO C[NH2+]C[C@@H](C)NC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000595984100 378046840 /nfs/dbraw/zinc/04/68/40/378046840.db2.gz UWTWXAPIQLJIOL-SNVBAGLBSA-N 1 0 344.393 -0.061 20 5 EBBDRO COC[C@H](O)C[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000567262272 378027216 /nfs/dbraw/zinc/02/72/16/378027216.db2.gz IUTJZQSPPSGQDP-LLVKDONJSA-N 1 0 333.366 -0.530 20 5 EBBDRO COCCN1CC[C@@H]([N-]S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC000599287615 378223046 /nfs/dbraw/zinc/22/30/46/378223046.db2.gz LVPBUHUJKYYBOB-SECBINFHSA-N 1 0 333.370 -0.673 20 5 EBBDRO CCn1cc(S(=O)(=O)N(C)CCOCC[NH2+]C)c([N+](=O)[O-])n1 ZINC000599104533 378196792 /nfs/dbraw/zinc/19/67/92/378196792.db2.gz CYVBWTIPHYLCDT-UHFFFAOYSA-N 1 0 335.386 -0.332 20 5 EBBDRO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)n1 ZINC000599107754 378197929 /nfs/dbraw/zinc/19/79/29/378197929.db2.gz LOFROYAWPKOKKW-AOOOYVTPSA-N 1 0 329.382 -0.052 20 5 EBBDRO NS(=O)(=O)c1ccc(NCC[N@@H+]2CC[C@H](O)C2)cc1[N+](=O)[O-] ZINC000599199865 378206124 /nfs/dbraw/zinc/20/61/24/378206124.db2.gz VBSHDHCDIAIOLJ-JTQLQIEISA-N 1 0 330.366 -0.279 20 5 EBBDRO CS[C@@H]1CN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000599269307 378217287 /nfs/dbraw/zinc/21/72/87/378217287.db2.gz RJWPTOYVANDYIG-PSASIEDQSA-N 1 0 349.438 -0.006 20 5 EBBDRO C[N@@H+]1CC[C@](O)(CNc2ncnc(N3CCOCC3)c2[N+](=O)[O-])C1 ZINC000598616373 378173610 /nfs/dbraw/zinc/17/36/10/378173610.db2.gz VNWXWTNQKHXHOP-AWEZNQCLSA-N 1 0 338.368 -0.300 20 5 EBBDRO COC(=O)[C@]1(OC)CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000599562934 378258826 /nfs/dbraw/zinc/25/88/26/378258826.db2.gz KJXVNPQOSPOLMX-AAEUAGOBSA-N 1 0 328.325 -0.584 20 5 EBBDRO C[C@H]1CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC[N@@H+]1CC(C)(C)O ZINC000249318045 379168078 /nfs/dbraw/zinc/16/80/78/379168078.db2.gz FTEYSQITMKESGC-GXTWGEPZSA-N 1 0 341.412 -0.071 20 5 EBBDRO CCn1nc2c(cc1=O)C[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)CC2 ZINC000078613191 379373491 /nfs/dbraw/zinc/37/34/91/379373491.db2.gz OPHKRRZBYIPHMJ-CYBMUJFWSA-N 1 0 348.363 -0.213 20 5 EBBDRO NC(=O)[C@]1(O)CC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000276587602 379480848 /nfs/dbraw/zinc/48/08/48/379480848.db2.gz PKMQQRFZJTVBLB-HZMBPMFUSA-N 1 0 325.321 -0.743 20 5 EBBDRO CC[C@@H](CO)[NH+]1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000075962717 379745185 /nfs/dbraw/zinc/74/51/85/379745185.db2.gz ADVDWYGOFYLADO-GXTWGEPZSA-N 1 0 327.385 -0.459 20 5 EBBDRO Cc1c(C(=O)N2CC[NH2+]CC2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000269113869 380220608 /nfs/dbraw/zinc/22/06/08/380220608.db2.gz RPEZUZWFSGTWFE-UHFFFAOYSA-N 1 0 328.350 -0.404 20 5 EBBDRO CN(CC(=O)N1CC[NH2+]CC1)S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000581011187 381047291 /nfs/dbraw/zinc/04/72/91/381047291.db2.gz OASJFPPAKSMVIG-UHFFFAOYSA-N 1 0 343.365 -0.958 20 5 EBBDRO O=C(Cn1cnnn1)N1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000349060915 381136677 /nfs/dbraw/zinc/13/66/77/381136677.db2.gz HKJSKXWLCWBIRO-UHFFFAOYSA-N 1 0 331.336 -0.074 20 5 EBBDRO CNc1nc(C(=O)N[C@H](C)C(=O)NCC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000584848718 381219683 /nfs/dbraw/zinc/21/96/83/381219683.db2.gz YHOJMZAKCMQXMI-SECBINFHSA-N 1 0 338.368 -0.172 20 5 EBBDRO [NH3+]CCCCNC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000575869926 381236777 /nfs/dbraw/zinc/23/67/77/381236777.db2.gz REXFMJBYLRMVTD-UHFFFAOYSA-N 1 0 330.366 -0.272 20 5 EBBDRO O=C(NCCn1cc([N+](=O)[O-])cn1)NC[C@@H]1CCCC[N@H+]1CCO ZINC000458549450 381246797 /nfs/dbraw/zinc/24/67/97/381246797.db2.gz CRJVJTWJWAOAJQ-LBPRGKRZSA-N 1 0 340.384 -0.063 20 5 EBBDRO C[NH+](C)C[C@@H](O)CNC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000351183084 381275120 /nfs/dbraw/zinc/27/51/20/381275120.db2.gz LJPAEPMRJADEFU-NSHDSACASA-N 1 0 328.300 -0.289 20 5 EBBDRO CC(C)(C)[C@H](O)C[C@@H](CO)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000576040619 381592311 /nfs/dbraw/zinc/59/23/11/381592311.db2.gz MVXJTJXNTUODGM-CYZMBNFOSA-N 1 0 330.385 -0.100 20 5 EBBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000390428184 382063940 /nfs/dbraw/zinc/06/39/40/382063940.db2.gz RGJWTHMMTBDZAC-UHFFFAOYSA-N 1 0 342.377 -0.387 20 5 EBBDRO CC(C)[C@H]([NH3+])C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000262098410 154212038 /nfs/dbraw/zinc/21/20/38/154212038.db2.gz CGSCTFSGYGNDKK-LBPRGKRZSA-N 1 0 344.393 -0.027 20 5 EBBDRO [NH3+]C1(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000262110432 154213152 /nfs/dbraw/zinc/21/31/52/154213152.db2.gz GXPUUWWBJZMFQK-UHFFFAOYSA-N 1 0 328.350 -0.519 20 5 EBBDRO [NH3+]CCCC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000262438429 154231816 /nfs/dbraw/zinc/23/18/16/154231816.db2.gz MRQCENWSBMZVSK-UHFFFAOYSA-N 1 0 330.366 -0.272 20 5 EBBDRO O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000262469235 154233286 /nfs/dbraw/zinc/23/32/86/154233286.db2.gz OJPANQJOTCXYJX-PHIMTYICSA-N 1 0 346.343 -0.002 20 5 EBBDRO CN(CC(=O)N1CC[C@@H]([NH3+])C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000262502106 154235201 /nfs/dbraw/zinc/23/52/01/154235201.db2.gz CQBVXEHCFUEXTO-SNVBAGLBSA-N 1 0 342.377 -0.225 20 5 EBBDRO C[C@H](CNC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-])[NH+](C)C ZINC000294424304 155060941 /nfs/dbraw/zinc/06/09/41/155060941.db2.gz PXJKFHGLAVJUKP-SNVBAGLBSA-N 1 0 344.393 -0.061 20 5 EBBDRO C[NH+](C)CCOc1cc(CNC(=O)Cn2cnc([N+](=O)[O-])n2)ccn1 ZINC000342875833 156066885 /nfs/dbraw/zinc/06/68/85/156066885.db2.gz IJFNOVHIYNVDTD-UHFFFAOYSA-N 1 0 349.351 -0.162 20 5 EBBDRO NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000580326772 420669370 /nfs/dbraw/zinc/66/93/70/420669370.db2.gz MOLDPVARXGEHKK-SNVBAGLBSA-N 1 0 336.352 -0.358 20 5 EBBDRO [NH3+][C@@H]1C[C@H]2CN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CCN2C1=O ZINC000522014227 420898811 /nfs/dbraw/zinc/89/88/11/420898811.db2.gz LUWLRZCFESGUPF-VHSXEESVSA-N 1 0 340.361 -0.473 20 5 EBBDRO COc1cc(S(=O)(=O)NC[C@@H]2C[NH2+]CCN2C)ccc1[N+](=O)[O-] ZINC000420463449 420912795 /nfs/dbraw/zinc/91/27/95/420912795.db2.gz WMXHIVVVDDTGBM-JTQLQIEISA-N 1 0 344.393 -0.215 20 5 EBBDRO O=C(C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CC[NH2+]CC1 ZINC000422995836 420921219 /nfs/dbraw/zinc/92/12/19/420921219.db2.gz ZLLZDGWYRJZZGL-UHFFFAOYSA-N 1 0 347.375 -0.325 20 5 EBBDRO [NH3+]C[C@H](NC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000422856732 420921879 /nfs/dbraw/zinc/92/18/79/420921879.db2.gz FZXWLUQTDAFFAN-JTQLQIEISA-N 1 0 342.377 -0.273 20 5 EBBDRO [NH3+][C@H]1CCN(C(=O)C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000423149365 420923135 /nfs/dbraw/zinc/92/31/35/420923135.db2.gz HLVCDZCQVNWCCU-LBPRGKRZSA-N 1 0 347.375 -0.197 20 5 EBBDRO NS(=O)(=O)c1ccc([N+](=O)[O-])cc1N1CCN2CCOC[C@@H]2C1 ZINC000374913849 420926943 /nfs/dbraw/zinc/92/69/43/420926943.db2.gz HEMSMIHGIQHSAP-NSHDSACASA-N 1 0 342.377 -0.237 20 5 EBBDRO C[C@@H]1CN(C(=O)C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[NH2+]1 ZINC000419349694 264860176 /nfs/dbraw/zinc/86/01/76/264860176.db2.gz MVKQFVBKCGNIHA-SECBINFHSA-N 1 0 346.347 -0.092 20 5 EBBDRO C[C@@H](CC[NH3+])NC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000423500098 265008194 /nfs/dbraw/zinc/00/81/94/265008194.db2.gz CSHDKWPTABUTSY-VIFPVBQESA-N 1 0 330.366 -0.273 20 5 EBBDRO C[C@H]1CN(C(=O)C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)C[C@@H]1[NH3+] ZINC000423567445 265012697 /nfs/dbraw/zinc/01/26/97/265012697.db2.gz CWSXCUJCXKYFMV-HZMBPMFUSA-N 1 0 348.359 -0.010 20 5 EBBDRO CCn1cc([N+](=O)[O-])c(C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)n1 ZINC000427463386 265107194 /nfs/dbraw/zinc/10/71/94/265107194.db2.gz SFCZMJZRGJYQHJ-JTQLQIEISA-N 1 0 338.368 -0.119 20 5 EBBDRO C[C@H]1C[N@H+](CCCNC(=O)Cn2cnc([N+](=O)[O-])n2)CCCO1 ZINC000432578784 265176930 /nfs/dbraw/zinc/17/69/30/265176930.db2.gz IGWSYRKXZFRCBL-NSHDSACASA-N 1 0 326.357 -0.197 20 5 EBBDRO CCn1cc(S(=O)(=O)N2CC[C@H](OC)C[C@@H]2C[NH3+])c([N+](=O)[O-])n1 ZINC000440851570 265296685 /nfs/dbraw/zinc/29/66/85/265296685.db2.gz VSBBRCCNCQRZLW-ZJUUUORDSA-N 1 0 347.397 -0.062 20 5 EBBDRO COC(=O)[C@H](O)C1CC[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000441237210 265302976 /nfs/dbraw/zinc/30/29/76/265302976.db2.gz VYPAVOQPKBCAIU-QWHCGFSZSA-N 1 0 342.352 -0.602 20 5 EBBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000449696164 265394149 /nfs/dbraw/zinc/39/41/49/265394149.db2.gz JRUFPOCMBOCANE-RISCZKNCSA-N 1 0 349.391 -0.267 20 5 EBBDRO O=C(N[C@H]1CC[NH2+]C1)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000419891898 272816574 /nfs/dbraw/zinc/81/65/74/272816574.db2.gz UKBNKIDMNORFGG-LBPRGKRZSA-N 1 0 347.375 -0.279 20 5 EBBDRO C[C@@H]1[C@@H](N2CCOCC2)CC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000351982130 279089722 /nfs/dbraw/zinc/08/97/22/279089722.db2.gz MXPJFKMDKWLNQM-YUELXQCFSA-N 1 0 339.396 -0.053 20 5 EBBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@H](O)CN2CCOCC2)cc1 ZINC000746286180 583104742 /nfs/dbraw/zinc/10/47/42/583104742.db2.gz NKGIMFUUTHTQIU-LSDHHAIUSA-N 1 0 325.365 -0.089 20 5 EBBDRO CON(C)C(=O)C1CC[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000812867946 583696935 /nfs/dbraw/zinc/69/69/35/583696935.db2.gz HCMHNLMVGWGZRQ-ZDUSSCGKSA-N 1 0 341.368 -0.116 20 5 EBBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CCS(=O)(=O)CC2CC2)c1 ZINC000819172613 583755698 /nfs/dbraw/zinc/75/56/98/583755698.db2.gz CUGUJKBLRCIGOL-LBPRGKRZSA-N 1 0 332.382 -0.433 20 5 EBBDRO C[N@@H+]1CCO[C@H]2CN(c3nccc(-c4nn[nH]n4)c3[N+](=O)[O-])C[C@H]21 ZINC000821628292 583796728 /nfs/dbraw/zinc/79/67/28/583796728.db2.gz FIEDJYUOACJYNE-ZJUUUORDSA-N 1 0 332.324 -0.311 20 5 EBBDRO O=C1N[C@H]2C[N@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC[C@@H]2CO1 ZINC000830944221 583972481 /nfs/dbraw/zinc/97/24/81/583972481.db2.gz WLAWINZVNDQKNK-JLLWLGSASA-N 1 0 325.325 -0.418 20 5 EBBDRO O=C(N[C@H]1CC[NH2+]C1)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000842224443 584060795 /nfs/dbraw/zinc/06/07/95/584060795.db2.gz AVNXMLPRQWVIAE-LBPRGKRZSA-N 1 0 347.375 -0.279 20 5 EBBDRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000844037270 584086714 /nfs/dbraw/zinc/08/67/14/584086714.db2.gz UGLPVJUHQLHEPS-VIFPVBQESA-N 1 0 336.352 -0.236 20 5 EBBDRO O=C(C[NH+]1CCCC1)N1CC2(C1)CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C2 ZINC001019040482 728779873 /nfs/dbraw/zinc/77/98/73/728779873.db2.gz CUQLTSTZHYGXSR-CHWSQXEVSA-N 1 0 336.392 -0.192 20 5 EBBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2ncnn2CCF)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001020139069 729081871 /nfs/dbraw/zinc/08/18/71/729081871.db2.gz PKHXGPIVNQHSRB-GWOFURMSSA-N 1 0 326.332 -0.350 20 5 EBBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1C[C@H](NC(=O)c2cn(C)c(=O)[nH]2)C1 ZINC001020547479 729199675 /nfs/dbraw/zinc/19/96/75/729199675.db2.gz OCFNILIAKDCQEU-KYZUINATSA-N 1 0 349.351 -0.182 20 5 EBBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@@H]1C[C@@H](NC(=O)c2cnn(C)n2)C1 ZINC001020746063 729228259 /nfs/dbraw/zinc/22/82/59/729228259.db2.gz IEIZXLZPHRUAOO-KYZUINATSA-N 1 0 334.340 -0.493 20 5 EBBDRO O=C(Cn1cnnn1)N[C@@H]1[C@H]2C[N@@H+](Cc3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC001025671513 730066083 /nfs/dbraw/zinc/06/60/83/730066083.db2.gz KORVYGVUFJDOGW-NHAGDIPZSA-N 1 0 343.347 -0.172 20 5 EBBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1C[C@@H](CNC(=O)c2nnc[nH]2)C1 ZINC001086228352 816275163 /nfs/dbraw/zinc/27/51/63/816275163.db2.gz JAKHIHWQGMREGN-DTORHVGOSA-N 1 0 334.340 -0.255 20 5 EBBDRO Cn1cnc(C(=O)N(CCO)CC[NH2+]Cc2ccc([N+](=O)[O-])cc2)n1 ZINC001272154087 816329200 /nfs/dbraw/zinc/32/92/00/816329200.db2.gz ANZBDGFAYCKZQT-UHFFFAOYSA-N 1 0 348.363 -0.052 20 5 EBBDRO COCCC[N@H+](CCO)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001098365502 819152294 /nfs/dbraw/zinc/15/22/94/819152294.db2.gz OHGZFJMXOGSFJG-ZIAGYGMSSA-N 1 0 329.397 -0.027 20 5 EBBDRO CC1CC[NH+](CC(=O)NCC2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CC1 ZINC001284990860 819448596 /nfs/dbraw/zinc/44/85/96/819448596.db2.gz NGPKSIQFNYWBRS-ZIAGYGMSSA-N 1 0 338.408 -0.042 20 5 EBBDRO CN(CCNc1ncc([N+](=O)[O-])c(N)n1)C(=O)C12CC[NH+](CC1)C2 ZINC001101696835 820882227 /nfs/dbraw/zinc/88/22/27/820882227.db2.gz HFSAMQMSOZAKEH-UHFFFAOYSA-N 1 0 335.368 -0.067 20 5 EBBDRO CN(CCN(C)c1ncc([N+](=O)[O-])c(N)n1)C(=O)C12CC[NH+](CC1)C2 ZINC001105434430 821749684 /nfs/dbraw/zinc/74/96/84/821749684.db2.gz VAHGFPSLPAJHON-UHFFFAOYSA-N 1 0 349.395 -0.043 20 5 EBBDRO C[N@@H+]1CC[C@H]1CNC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC001303901066 821761526 /nfs/dbraw/zinc/76/15/26/821761526.db2.gz YRNCYMNBNQCYEF-JTQLQIEISA-N 1 0 342.377 -0.307 20 5 EBBDRO CN(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)Cn1ncn(C)c1=O ZINC001317604319 822175418 /nfs/dbraw/zinc/17/54/18/822175418.db2.gz PRAZNKTVTXDAGU-UHFFFAOYSA-N 1 0 348.363 -0.262 20 5 EBBDRO O=C(NCC[NH2+]Cc1ccccc1[N+](=O)[O-])C1CS(=O)(=O)C1 ZINC001128108015 828416091 /nfs/dbraw/zinc/41/60/91/828416091.db2.gz GFQXQEGDEYUXAS-UHFFFAOYSA-N 1 0 327.362 -0.155 20 5 EBBDRO COCC(=O)NCCC(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001128685831 828509053 /nfs/dbraw/zinc/50/90/53/828509053.db2.gz GKMNRCHTDMXNJD-UHFFFAOYSA-N 1 0 338.364 -0.047 20 5 EBBDRO [NH3+]C[C@H](NC(=O)C(=O)NCCOc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001118034534 826841567 /nfs/dbraw/zinc/84/15/67/826841567.db2.gz DSHJDPHZVINUEO-ZDUSSCGKSA-N 1 0 336.348 -0.057 20 5 EBBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C[C@H]2COC3(CCOCC3)O2)c1 ZINC001118149360 826860006 /nfs/dbraw/zinc/86/00/06/826860006.db2.gz DJWOIJAQSMNBSH-STQMWFEESA-N 1 0 342.352 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CNS(=O)(=O)CC(=O)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001151372746 831063305 /nfs/dbraw/zinc/06/33/05/831063305.db2.gz GDGKGUAQWIGYLC-UHFFFAOYSA-N 1 0 336.395 -0.589 20 5 EBBDRO O=[N+]([O-])c1c(N2CC[NH2+]CC2)ncnc1N1CCn2nncc2C1 ZINC001154818165 831364203 /nfs/dbraw/zinc/36/42/03/831364203.db2.gz REPRZMCNNDIIRU-UHFFFAOYSA-N 1 0 331.340 -0.594 20 5 EBBDRO COC(=O)[C@@H]1CN(c2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)CCN1C ZINC001155238545 831395401 /nfs/dbraw/zinc/39/54/01/831395401.db2.gz DUXKGAQPVOXCJS-NSHDSACASA-N 1 0 336.352 -0.635 20 5 EBBDRO O=C1CC[C@@H](Nc2ncnc(N3CC[NH2+]CC3)c2[N+](=O)[O-])C(=O)N1 ZINC001156714881 831491967 /nfs/dbraw/zinc/49/19/67/831491967.db2.gz YCOGKNBAONBMBP-MRVPVSSYSA-N 1 0 335.324 -0.989 20 5 EBBDRO CS(=O)(=O)CC1(C[NH2+]CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001157767833 831591689 /nfs/dbraw/zinc/59/16/89/831591689.db2.gz WSWMVFJRTWCTQR-GHMZBOCLSA-N 1 0 333.410 -0.428 20 5 EBBDRO COC(=O)[C@]1(C)COCCN1c1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1 ZINC001158304797 831644685 /nfs/dbraw/zinc/64/46/85/831644685.db2.gz NMXZMNLFJMIJNE-AWEZNQCLSA-N 1 0 337.336 -0.160 20 5 EBBDRO CN1CCOC[C@H]1CNc1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001158699999 831680158 /nfs/dbraw/zinc/68/01/58/831680158.db2.gz CDKULWIRHIRBNJ-LLVKDONJSA-N 1 0 337.384 -0.463 20 5 EBBDRO O=[N+]([O-])c1c(NCCCn2cncn2)ncnc1N1CC[NH2+]CC1 ZINC001161960266 832006657 /nfs/dbraw/zinc/00/66/57/832006657.db2.gz ZQIZCPFWOJRDAI-UHFFFAOYSA-N 1 0 333.356 -0.112 20 5 EBBDRO O=[N+]([O-])c1c(N[C@@H]2C[NH2+][C@@H]3COC[C@H]23)ncnc1N1CCOCC1 ZINC001163140494 832085868 /nfs/dbraw/zinc/08/58/68/832085868.db2.gz IIMUTGJPHYBHAS-GMTAPVOTSA-N 1 0 336.352 -0.380 20 5 EBBDRO COC(=O)c1ccnc(N2CC(=O)NC3(CC[NH2+]CC3)C2)c1[N+](=O)[O-] ZINC001165255999 832208933 /nfs/dbraw/zinc/20/89/33/832208933.db2.gz HORHCZFLLNYZJZ-UHFFFAOYSA-N 1 0 349.347 -0.165 20 5 EBBDRO O=[N+]([O-])c1c(N2CC[NH2+]CC2)ncnc1N1CCS(=O)(=O)CC1 ZINC001165358332 832217846 /nfs/dbraw/zinc/21/78/46/832217846.db2.gz FESXBZIRYJWMPV-UHFFFAOYSA-N 1 0 342.381 -0.971 20 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CN1CCC([N@@H+]2CC[C@@H](NC(=O)Cn3cnc([N+](=O)[O-])n3)C2)CC1 ZINC001322765121 839255446 /nfs/dbraw/zinc/25/54/46/839255446.db2.gz AJVJYOWTYWKRAF-LLVKDONJSA-N 1 0 337.384 -0.529 20 5 EBBDRO [NH3+]CCN(CCO)C(=O)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC001325408048 839861777 /nfs/dbraw/zinc/86/17/77/839861777.db2.gz QSOXYOQCEWXJTJ-UHFFFAOYSA-N 1 0 344.755 -0.356 20 5 EBBDRO CS(=O)(=O)N1CC[C@@H](C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC001325844405 839954274 /nfs/dbraw/zinc/95/42/74/839954274.db2.gz STVMTXXTNGTDEY-JQWIXIFHSA-N 1 0 347.397 -0.977 20 5 EBBDRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC001333017122 841779828 /nfs/dbraw/zinc/77/98/28/841779828.db2.gz WKCBVHDGRZYUDW-PHIMTYICSA-N 1 0 338.368 -0.636 20 5 EBBDRO [NH3+][C@]12CCC[C@H]1CN(C(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1)C2 ZINC001334720369 842121233 /nfs/dbraw/zinc/12/12/33/842121233.db2.gz GDGRXVQWSIJRMJ-HZMBPMFUSA-N 1 0 336.352 -0.753 20 5 EBBDRO CC[N@H+](CCNC(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1)C1CC1 ZINC001341431568 843088309 /nfs/dbraw/zinc/08/83/09/843088309.db2.gz KKRMIQZMURGWKZ-UHFFFAOYSA-N 1 0 338.368 -0.492 20 5 EBBDRO CN(CC[NH2+]Cc1c([N+](=O)[O-])ncn1C)C(=O)CCn1ccnn1 ZINC001481224384 1125947861 /nfs/dbraw/zinc/94/78/61/1125947861.db2.gz OOCNIXWLDALVJW-UHFFFAOYSA-N 1 0 336.356 -0.442 20 5 EBBDRO CN(CCC[NH2+]Cc1c([N+](=O)[O-])ncn1C)C(=O)c1cn(C)nn1 ZINC001483464308 1126428976 /nfs/dbraw/zinc/42/89/76/1126428976.db2.gz YTHANWMAUYRFJH-UHFFFAOYSA-N 1 0 336.356 -0.291 20 5 EBBDRO C[NH+](C)C[C@](C)(O)CNc1cccc(S(N)(=O)=O)c1[N+](=O)[O-] ZINC000273434032 282144250 /nfs/dbraw/zinc/14/42/50/282144250.db2.gz BEFWDJNWPAJUIY-GFCCVEGCSA-N 1 0 332.382 -0.033 20 5 EBBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@H](CO)C[NH+](C)C ZINC000588864398 376397108 /nfs/dbraw/zinc/39/71/08/376397108.db2.gz HAIBDLDDCDEURW-PWSUYJOCSA-N 1 0 338.364 -0.248 20 5 EBBDRO O=C1NC(=O)[C@@H]2C[N@H+]([C@@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)C[C@H]12 ZINC000451638392 376603537 /nfs/dbraw/zinc/60/35/37/376603537.db2.gz ZHZBAUXKELYSJF-FRRDWIJNSA-N 1 0 344.327 -0.096 20 5 EBBDRO C[NH+](C)CC(=O)N1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000127571666 376617193 /nfs/dbraw/zinc/61/71/93/376617193.db2.gz VLCUZOUGSVJQCQ-UHFFFAOYSA-N 1 0 349.391 -0.101 20 5 EBBDRO CC1(C)C[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCN1CCO ZINC000614920066 377164833 /nfs/dbraw/zinc/16/48/33/377164833.db2.gz CQIUZPMUAAJBOV-CYBMUJFWSA-N 1 0 327.385 -0.459 20 5 EBBDRO [NH3+][C@H]1C[C@@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])s3)CCN2C1=O ZINC000580097031 377355588 /nfs/dbraw/zinc/35/55/88/377355588.db2.gz XUZAJGWYQKAMBA-SFYZADRCSA-N 1 0 346.390 -0.411 20 5 EBBDRO CS(=O)(=O)NCC[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000564652351 377444201 /nfs/dbraw/zinc/44/42/01/377444201.db2.gz YWWBSGHBKCNUSJ-NSHDSACASA-N 1 0 333.366 -0.527 20 5 EBBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@@H]2CS(=O)(=O)C[C@H]2O)c1 ZINC000564330630 377445647 /nfs/dbraw/zinc/44/56/47/377445647.db2.gz LBYLMQHJFJMDOW-RAIGVLPGSA-N 1 0 346.361 -0.918 20 5 EBBDRO Cc1c(CNC(=O)C(=O)N2CCN(C)C[C@H]2C[NH3+])cccc1[N+](=O)[O-] ZINC000580294287 377450102 /nfs/dbraw/zinc/45/01/02/377450102.db2.gz HIRUCJLDRNSSSL-CYBMUJFWSA-N 1 0 349.391 -0.379 20 5 EBBDRO O=[N+]([O-])c1ccc(CCS(=O)(=O)NCCN2CC[NH2+]CC2)cc1 ZINC000565778407 377452478 /nfs/dbraw/zinc/45/24/78/377452478.db2.gz YOAYEWDFQVIZHF-UHFFFAOYSA-N 1 0 342.421 -0.038 20 5 EBBDRO C[C@H](C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)CN1CCOCC1 ZINC000591743618 377754597 /nfs/dbraw/zinc/75/45/97/377754597.db2.gz PVOBOSRBYSBBDK-OCCSQVGLSA-N 1 0 327.385 -0.290 20 5 EBBDRO O=c1cc(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)nc2ccccn12 ZINC000592998357 377869000 /nfs/dbraw/zinc/86/90/00/377869000.db2.gz SBHRSGFCKLXMST-ZDUSSCGKSA-N 1 0 344.331 -0.050 20 5 EBBDRO C[NH+]1CCC(O)(CNS(=O)(=O)c2ncccc2[N+](=O)[O-])CC1 ZINC000594760772 377950854 /nfs/dbraw/zinc/95/08/54/377950854.db2.gz SJYYQPFQMDRAOH-UHFFFAOYSA-N 1 0 330.366 -0.275 20 5 EBBDRO C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000595280480 377990842 /nfs/dbraw/zinc/99/08/42/377990842.db2.gz CVSZYZKNJHIVPJ-SNVBAGLBSA-N 1 0 338.368 -0.321 20 5 EBBDRO CC[C@@H]([NH2+]C)C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000595924840 378036020 /nfs/dbraw/zinc/03/60/20/378036020.db2.gz QRKRMZGYYJIINI-GFCCVEGCSA-N 1 0 344.393 -0.013 20 5 EBBDRO CC[C@H]([NH2+]C)C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000595924499 378036147 /nfs/dbraw/zinc/03/61/47/378036147.db2.gz LDGVAASRYXFACZ-LBPRGKRZSA-N 1 0 344.393 -0.013 20 5 EBBDRO [NH3+][C@H]1C[C@H](C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000595947631 378043424 /nfs/dbraw/zinc/04/34/24/378043424.db2.gz SUCIJQNOVSACNE-MGCOHNPYSA-N 1 0 342.377 -0.273 20 5 EBBDRO C[NH+](C)CCN1CCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)CC1=O ZINC000596290628 378059001 /nfs/dbraw/zinc/05/90/01/378059001.db2.gz PYWVPARPIOOYEL-UHFFFAOYSA-N 1 0 335.364 -0.096 20 5 EBBDRO CN(CC(=O)N1CC[NH2+]CC1)C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598915761 378184965 /nfs/dbraw/zinc/18/49/65/378184965.db2.gz ODIDTWPMCMXMEA-UHFFFAOYSA-N 1 0 349.347 -0.577 20 5 EBBDRO COCCN1CC[C@H]([N-]S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC000599287616 378223479 /nfs/dbraw/zinc/22/34/79/378223479.db2.gz LVPBUHUJKYYBOB-VIFPVBQESA-N 1 0 333.370 -0.673 20 5 EBBDRO NS(=O)(=O)c1cccc(NCC[N@@H+]2CC[C@H](O)C2)c1[N+](=O)[O-] ZINC000599199832 378205709 /nfs/dbraw/zinc/20/57/09/378205709.db2.gz RUEUANYWTIRZJZ-VIFPVBQESA-N 1 0 330.366 -0.279 20 5 EBBDRO C[NH+](C)CCC[C@@H]1CN(C(=O)Cn2cnc([N+](=O)[O-])n2)CCO1 ZINC000598539437 378172945 /nfs/dbraw/zinc/17/29/45/378172945.db2.gz IPDOQTUHBORDLY-LLVKDONJSA-N 1 0 326.357 -0.245 20 5 EBBDRO C[N@@H+]1CC[C@@](O)(CNc2ncnc(N3CCOCC3)c2[N+](=O)[O-])C1 ZINC000598616375 378174544 /nfs/dbraw/zinc/17/45/44/378174544.db2.gz VNWXWTNQKHXHOP-CQSZACIVSA-N 1 0 338.368 -0.300 20 5 EBBDRO [NH3+]C[C@@H]1CN(C(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)CCO1 ZINC000598666526 378179401 /nfs/dbraw/zinc/17/94/01/378179401.db2.gz ZTHANVJZOIAINC-GFCCVEGCSA-N 1 0 337.336 -0.098 20 5 EBBDRO CCN(CC[NH3+])C(=O)C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000599947130 378283277 /nfs/dbraw/zinc/28/32/77/378283277.db2.gz REGSFELZNSPFOJ-UHFFFAOYSA-N 1 0 334.336 -0.106 20 5 EBBDRO O=C(N[C@@H]1CC[NH2+]C1)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000599966118 378288605 /nfs/dbraw/zinc/28/86/05/378288605.db2.gz NPWVZZSFYFRSNG-SNVBAGLBSA-N 1 0 336.352 -0.567 20 5 EBBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000571179952 378549474 /nfs/dbraw/zinc/54/94/74/378549474.db2.gz ZIENDJWDHJZQKZ-JQWIXIFHSA-N 1 0 334.332 -0.013 20 5 EBBDRO C[NH+](C)C[C@@](C)(O)CNc1cccc(S(N)(=O)=O)c1[N+](=O)[O-] ZINC000273434034 379186276 /nfs/dbraw/zinc/18/62/76/379186276.db2.gz BEFWDJNWPAJUIY-LBPRGKRZSA-N 1 0 332.382 -0.033 20 5 EBBDRO [NH3+]CCCNC(=O)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000419840109 379345217 /nfs/dbraw/zinc/34/52/17/379345217.db2.gz RNESXDQJMNUBAH-UHFFFAOYSA-N 1 0 335.364 -0.292 20 5 EBBDRO CN(CC[NH3+])C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000417329995 379325363 /nfs/dbraw/zinc/32/53/63/379325363.db2.gz VAFVZSPPPFNOFV-UHFFFAOYSA-N 1 0 345.381 -0.527 20 5 EBBDRO CN(C(=O)C(=O)NCCc1ccccc1[N+](=O)[O-])[C@H]1C[NH2+]C[C@@H]1O ZINC000419040055 379337945 /nfs/dbraw/zinc/33/79/45/379337945.db2.gz LPCCMAVWTMIKII-STQMWFEESA-N 1 0 336.348 -0.955 20 5 EBBDRO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000419500116 379342030 /nfs/dbraw/zinc/34/20/30/379342030.db2.gz WTQJZRXNEUMSBJ-RYUDHWBXSA-N 1 0 340.384 -0.112 20 5 EBBDRO C[NH2+][C@H](C)CNC(=O)C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000420121784 379348620 /nfs/dbraw/zinc/34/86/20/379348620.db2.gz KUGYPYFEXIESHO-SNVBAGLBSA-N 1 0 336.348 -0.092 20 5 EBBDRO COCC[NH2+]CCNC(=O)C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000420177069 379352145 /nfs/dbraw/zinc/35/21/45/379352145.db2.gz BLMBVADZHPONQX-UHFFFAOYSA-N 1 0 338.364 -0.095 20 5 EBBDRO C[NH+](C)CCNC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000280856364 379518801 /nfs/dbraw/zinc/51/88/01/379518801.db2.gz WZVABLBRGPRLDX-UHFFFAOYSA-N 1 0 330.366 -0.449 20 5 EBBDRO CN1CC[N@H+](C)C[C@H]1CNC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000332571820 379521970 /nfs/dbraw/zinc/52/19/70/379521970.db2.gz XJSRRIASAGRNAB-LLVKDONJSA-N 1 0 325.373 -0.664 20 5 EBBDRO C[C@@H]1C[C@H](N2CCOCC2)C[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000352887979 379685981 /nfs/dbraw/zinc/68/59/81/379685981.db2.gz MCXHEJPFOFQDST-IPYPFGDCSA-N 1 0 339.396 -0.053 20 5 EBBDRO [NH3+][C@@H]1C[C@@H]2CN(CC(=O)Nc3ccccc3[N+](=O)[O-])CCN2C1=O ZINC000574292617 379949248 /nfs/dbraw/zinc/94/92/48/379949248.db2.gz PAZJAXHZNKTHDE-GHMZBOCLSA-N 1 0 333.348 -0.223 20 5 EBBDRO C[C@@H](CO)[N@@H+]1CCCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000346613252 380736272 /nfs/dbraw/zinc/73/62/72/380736272.db2.gz GYHFOIWEMHTXIS-GXTWGEPZSA-N 1 0 327.385 -0.459 20 5 EBBDRO [NH3+][C@@H]1C[C@H]2CN(C(=O)CNc3ccccc3[N+](=O)[O-])CCN2C1=O ZINC000582976374 381091407 /nfs/dbraw/zinc/09/14/07/381091407.db2.gz WXTJBQOTOOZKJB-WDEREUQCSA-N 1 0 333.348 -0.223 20 5 EBBDRO CCOC[C@@H](O)C[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000581998599 381145503 /nfs/dbraw/zinc/14/55/03/381145503.db2.gz PEBASGSNGPDXLO-NSHDSACASA-N 1 0 347.393 -0.140 20 5 EBBDRO O=C(NCCn1cc([N+](=O)[O-])cn1)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000583320682 381125876 /nfs/dbraw/zinc/12/58/76/381125876.db2.gz ICMDGQMBVSTIIG-SNVBAGLBSA-N 1 0 334.340 -0.435 20 5 EBBDRO CC(C)[NH2+]CC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000584732589 381204041 /nfs/dbraw/zinc/20/40/41/381204041.db2.gz QDYQVUPLTDXPLL-UHFFFAOYSA-N 1 0 344.393 -0.013 20 5 EBBDRO C[NH+](C)C[C@@](C)(O)CNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000269902272 381647483 /nfs/dbraw/zinc/64/74/83/381647483.db2.gz TXSLAKVRQNJIJO-LBPRGKRZSA-N 1 0 332.382 -0.033 20 5 EBBDRO C[C@H](C[NH3+])NC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000347676970 381638791 /nfs/dbraw/zinc/63/87/91/381638791.db2.gz ICRRHVMAUQPDHR-SECBINFHSA-N 1 0 330.366 -0.273 20 5 EBBDRO [NH3+][C@@H]1C[C@@H]2CN(C(=O)COc3ccc([N+](=O)[O-])cc3)CCN2C1=O ZINC000577412021 382048516 /nfs/dbraw/zinc/04/85/16/382048516.db2.gz NLJHFHAWSDHLSB-DGCLKSJQSA-N 1 0 334.332 -0.256 20 5 EBBDRO CCNC(=O)CN1CCCN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000299304885 155152045 /nfs/dbraw/zinc/15/20/45/155152045.db2.gz UNCNQVWXUNIBED-UHFFFAOYSA-N 1 0 338.368 -0.538 20 5 EBBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CC[C@H](CN3CCOCC3)C2)c1 ZINC000173803238 154104726 /nfs/dbraw/zinc/10/47/26/154104726.db2.gz LDIYITGURVULKG-HIFRSBDPSA-N 1 0 339.396 -0.194 20 5 EBBDRO C[C@H]([NH3+])[C@H](C)C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000262522904 154234930 /nfs/dbraw/zinc/23/49/30/154234930.db2.gz JHZCQMHKKLQRDS-UWVGGRQHSA-N 1 0 344.393 -0.027 20 5 EBBDRO C[N@@H+]1CC[C@](O)(CNC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)C1 ZINC000358076663 157208341 /nfs/dbraw/zinc/20/83/41/157208341.db2.gz WKLKHTARTPDGKU-HNNXBMFYSA-N 1 0 346.347 -0.028 20 5 EBBDRO COc1ccc(NC(=O)C(=O)NC[C@@H](O)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000360576257 157385703 /nfs/dbraw/zinc/38/57/03/157385703.db2.gz LBWPNSPLLXZCOO-SNVBAGLBSA-N 1 0 340.336 -0.419 20 5 EBBDRO CNS(=O)(=O)c1ccc(NC[C@@H]2C[NH2+]CCN2C)c([N+](=O)[O-])c1 ZINC000394722862 418952974 /nfs/dbraw/zinc/95/29/74/418952974.db2.gz GPCCLMIRNPWHOH-JTQLQIEISA-N 1 0 343.409 -0.182 20 5 EBBDRO O=C(NC[C@H]1C[NH2+]CCO1)C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000516264433 419090963 /nfs/dbraw/zinc/09/09/63/419090963.db2.gz PEARPOCLJVSMBF-GFCCVEGCSA-N 1 0 348.359 -0.416 20 5 EBBDRO COC(=O)[C@H]1CN(C(=O)Cn2cc([N+](=O)[O-])nc2C)CC[N@H+](C)C1 ZINC000413918110 419320670 /nfs/dbraw/zinc/32/06/70/419320670.db2.gz KUKXLEDQVYCULA-LLVKDONJSA-N 1 0 339.352 -0.337 20 5 EBBDRO C[N@@H+]1CCCN(CCCNc2nccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000589565538 421204025 /nfs/dbraw/zinc/20/40/25/421204025.db2.gz FBHILHNEWZAWLG-UHFFFAOYSA-N 1 0 336.396 0.528 20 5 EBBDRO C[C@@H](C[NH3+])CNC(=O)C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000419951289 264909183 /nfs/dbraw/zinc/90/91/83/264909183.db2.gz IJQSUGYTYOZRKC-JTQLQIEISA-N 1 0 336.348 -0.105 20 5 EBBDRO CN(CC[NH3+])C(=O)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000423147265 264986913 /nfs/dbraw/zinc/98/69/13/264986913.db2.gz CGDJLGVNYRWPEM-UHFFFAOYSA-N 1 0 335.364 -0.340 20 5 EBBDRO O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1cc([N+](=O)[O-])n[nH]1 ZINC000423634565 265024760 /nfs/dbraw/zinc/02/47/60/265024760.db2.gz QTEKSFHMZWPWJG-MRVPVSSYSA-N 1 0 336.274 -0.116 20 5 EBBDRO C[C@@H]([NH3+])[C@@H](C)NC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000423679177 265030969 /nfs/dbraw/zinc/03/09/69/265030969.db2.gz LSOMDCNMMDAPOC-RKDXNWHRSA-N 1 0 330.366 -0.275 20 5 EBBDRO Cc1cc(C(=O)NCC(=O)NC[C@H]2C[NH2+]CCO2)ccc1[N+](=O)[O-] ZINC000423991292 265045749 /nfs/dbraw/zinc/04/57/49/265045749.db2.gz LNENDKMSKNYFPS-GFCCVEGCSA-N 1 0 336.348 -0.262 20 5 EBBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CC2(N3CCOCC3)CC2)c1 ZINC000516862563 272888966 /nfs/dbraw/zinc/88/89/66/272888966.db2.gz HXHPFYNKFXNWCF-ZDUSSCGKSA-N 1 0 325.369 -0.393 20 5 EBBDRO C[NH2+][C@@H](C)CNC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000261873283 277292511 /nfs/dbraw/zinc/29/25/11/277292511.db2.gz ZYNBDYAWIVJJBH-JTQLQIEISA-N 1 0 344.393 -0.013 20 5 EBBDRO CC(=O)N1CCN(c2ccc(C(=O)NCC[NH3+])cc2[N+](=O)[O-])CC1 ZINC000236579190 278044187 /nfs/dbraw/zinc/04/41/87/278044187.db2.gz NGDMKSIMIZPOKZ-UHFFFAOYSA-N 1 0 335.364 -0.048 20 5 EBBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CCS(=O)(=O)CC2CC2)c1 ZINC000819172611 583755727 /nfs/dbraw/zinc/75/57/27/583755727.db2.gz CUGUJKBLRCIGOL-GFCCVEGCSA-N 1 0 332.382 -0.433 20 5 EBBDRO O=C1c2ccc([N+](=O)[O-])cc2S(=O)(=O)N1C[C@H]1C[NH2+]CCO1 ZINC000849240069 584167415 /nfs/dbraw/zinc/16/74/15/584167415.db2.gz DNQYQHBGDNYBNL-SECBINFHSA-N 1 0 327.318 -0.272 20 5 EBBDRO [NH3+]CCN(CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])C[C@@H](O)CO ZINC000852754292 584215515 /nfs/dbraw/zinc/21/55/15/584215515.db2.gz SHKAXJYVCIVFAH-SNVBAGLBSA-N 1 0 346.771 -0.199 20 5 EBBDRO C[NH+](C)C[C@H](CO)NC(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000854467636 584241037 /nfs/dbraw/zinc/24/10/37/584241037.db2.gz WRWSFNJLAFOCHF-LLVKDONJSA-N 1 0 325.321 -0.175 20 5 EBBDRO C[NH2+][C@H](C)CNC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000261873285 649985501 /nfs/dbraw/zinc/98/55/01/649985501.db2.gz ZYNBDYAWIVJJBH-SNVBAGLBSA-N 1 0 344.393 -0.013 20 5 EBBDRO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2CCN3CC[NH2+]C[C@@H]3C2)n1 ZINC001164400141 718843562 /nfs/dbraw/zinc/84/35/62/718843562.db2.gz QSYTVRAGFLFTBV-LLVKDONJSA-N 1 0 335.368 -0.255 20 5 EBBDRO C[NH+]1CCC(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000976479129 726323516 /nfs/dbraw/zinc/32/35/16/726323516.db2.gz VSYFVDBZZVWDNG-RGDJUOJXSA-N 1 0 336.392 -0.434 20 5 EBBDRO CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC[NH+](CCN2CCNC2=O)CC1 ZINC001005384193 726732513 /nfs/dbraw/zinc/73/25/13/726732513.db2.gz YPOFZISPNDUORN-CHWSQXEVSA-N 1 0 339.396 -0.400 20 5 EBBDRO CCn1ncc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3c([N+](=O)[O-])ncn3C)C2)n1 ZINC001022048561 729355345 /nfs/dbraw/zinc/35/53/45/729355345.db2.gz VTCMLGZWNJMWNI-AOOOYVTPSA-N 1 0 348.367 -0.010 20 5 EBBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001022565538 729513420 /nfs/dbraw/zinc/51/34/20/729513420.db2.gz IJSGTQUXUZESDX-RNFDROQYSA-N 1 0 335.364 -0.043 20 5 EBBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1C[C@@H](NC(=O)c2cn(C)c(=O)[nH]2)C1 ZINC001022653227 729521076 /nfs/dbraw/zinc/52/10/76/729521076.db2.gz OCFNILIAKDCQEU-DTORHVGOSA-N 1 0 349.351 -0.182 20 5 EBBDRO CN(C(=O)C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@H]2C1)C1CC1 ZINC001048812370 734519419 /nfs/dbraw/zinc/51/94/19/734519419.db2.gz HDXUIRHLIDGPCU-ZMJPVWNMSA-N 1 0 336.392 -0.337 20 5 EBBDRO O=C(NC1CC[NH+](CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)c1ccc[nH]1 ZINC001055575600 736390300 /nfs/dbraw/zinc/39/03/00/736390300.db2.gz ZGIMRRKZGWMJBG-TZMCWYRMSA-N 1 0 349.391 -0.010 20 5 EBBDRO CC[N@H+](C)C(C)(C)C(=O)NCCN(CCO)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001057547264 737325835 /nfs/dbraw/zinc/32/58/35/737325835.db2.gz UGCJHBYODVBYJG-VXGBXAGGSA-N 1 0 344.412 -0.681 20 5 EBBDRO NC(=O)[C@@H]([NH3+])Cc1ccc(O[C@@H]2COc3nc([N+](=O)[O-])cn3C2)cc1 ZINC001218337654 810486871 /nfs/dbraw/zinc/48/68/71/810486871.db2.gz YQUGEOGIWDJUQC-RYUDHWBXSA-N 1 0 347.331 -0.014 20 5 EBBDRO C[N@H+]1C[C@H]2CCC[C@@H](C1)[C@@H]2OCC(=O)N1CC([N+](=O)[O-])([N+](=O)[O-])C1 ZINC001224800008 811776630 /nfs/dbraw/zinc/77/66/30/811776630.db2.gz MNKVCOJXFXQDNI-PTEHBNRSSA-N 1 0 342.352 -0.175 20 5 EBBDRO Cn1c(OC(=O)C[C@@H](O)C[N+](C)(C)C)nc2[nH]c(=O)[nH]c(=O)c21 ZINC001229734828 812053371 /nfs/dbraw/zinc/05/33/71/812053371.db2.gz BUQJVRBJFDVKKZ-SSDOTTSWSA-O 1 0 326.333 -0.863 20 5 EBBDRO O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001253411377 812679359 /nfs/dbraw/zinc/67/93/59/812679359.db2.gz ICINOUMMEJCRGL-VXGBXAGGSA-N 1 0 336.348 -0.264 20 5 EBBDRO C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NCc2cccc([N+](=O)[O-])c2)CCO1 ZINC001261379472 812899997 /nfs/dbraw/zinc/89/99/97/812899997.db2.gz DERNSSRNHBFLSW-GWCFXTLKSA-N 1 0 336.348 -0.214 20 5 EBBDRO C[NH+](C)CCOCC(=O)NCCNc1ncc([N+](=O)[O-])c(N)n1 ZINC001093750070 818094444 /nfs/dbraw/zinc/09/44/44/818094444.db2.gz JKUSFMYELLQZQE-UHFFFAOYSA-N 1 0 327.345 -0.927 20 5 EBBDRO NC(=O)C(=O)NCCC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001096256784 818759459 /nfs/dbraw/zinc/75/94/59/818759459.db2.gz OVEOMNIXRXJRRQ-UHFFFAOYSA-N 1 0 335.364 -0.292 20 5 EBBDRO CN(CCN(C)c1ncc([N+](=O)[O-])c(N)n1)C(=O)C[NH+]1CCCC1 ZINC001105405267 821742785 /nfs/dbraw/zinc/74/27/85/821742785.db2.gz URDAQZISBDKPKB-UHFFFAOYSA-N 1 0 337.384 -0.043 20 5 EBBDRO CC[NH+]1CCN(C2CN(c3ncc([N+](=O)[O-])cc3C(N)=O)C2)CC1 ZINC001307218941 821770056 /nfs/dbraw/zinc/77/00/56/821770056.db2.gz QSZIVZMNVJLWRV-UHFFFAOYSA-N 1 0 334.380 -0.085 20 5 EBBDRO C[C@]12C[N@H+](CCn3cc([N+](=O)[O-])ccc3=O)C[C@@]1(C)C(=O)NC2=O ZINC001307993157 821772265 /nfs/dbraw/zinc/77/22/65/821772265.db2.gz GCVUSQLGOJBSNM-GASCZTMLSA-N 1 0 334.332 -0.259 20 5 EBBDRO CCN1CC[NH+](CCCCNC(=O)Cn2cnc([N+](=O)[O-])n2)CC1 ZINC001318552521 822335497 /nfs/dbraw/zinc/33/54/97/822335497.db2.gz GNWULBUELNYHQX-UHFFFAOYSA-N 1 0 339.400 -0.280 20 5 EBBDRO CS(=O)(=O)NCCC(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001128601329 828483161 /nfs/dbraw/zinc/48/31/61/828483161.db2.gz RJNAZEWHEJXYRL-UHFFFAOYSA-N 1 0 344.393 -0.260 20 5 EBBDRO COC(=O)C1(O)CC[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC001116447585 826620044 /nfs/dbraw/zinc/62/00/44/826620044.db2.gz OEINFRIYWNZJCZ-NSHDSACASA-N 1 0 328.325 -0.848 20 5 EBBDRO CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC001117603897 826783715 /nfs/dbraw/zinc/78/37/15/826783715.db2.gz LWUKUVCPGVWAQE-NSHDSACASA-N 1 0 338.368 -0.492 20 5 EBBDRO C[NH2+][C@H](C)CCNC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC001118197909 826875333 /nfs/dbraw/zinc/87/53/33/826875333.db2.gz XQOQQRMNTGYUSC-SNVBAGLBSA-N 1 0 344.393 -0.013 20 5 EBBDRO CN1CCN(CC(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1=O ZINC001130551929 828879211 /nfs/dbraw/zinc/87/92/11/828879211.db2.gz ZSCYHQXXCSWCEB-UHFFFAOYSA-N 1 0 349.391 -0.425 20 5 EBBDRO CN1CCN(CC(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])CC1=O ZINC001130553255 828880393 /nfs/dbraw/zinc/88/03/93/828880393.db2.gz AHHBTIQUMUMCQK-UHFFFAOYSA-N 1 0 349.391 -0.425 20 5 EBBDRO O=C(NCC[NH2+]Cc1cccc([N+](=O)[O-])c1)C1CC(=O)NC(=O)C1 ZINC001135270599 829935699 /nfs/dbraw/zinc/93/56/99/829935699.db2.gz YOIUMHDDESPNDJ-UHFFFAOYSA-N 1 0 334.332 -0.147 20 5 EBBDRO C[C@@H](NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)[C@@H]1C[N@H+](C)CCN1C ZINC001136875036 830090853 /nfs/dbraw/zinc/09/08/53/830090853.db2.gz WQSUCIFEGFHFRU-NEPJUHHUSA-N 1 0 337.380 -0.493 20 5 EBBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1N(CC[NH3+])S(C)(=O)=O ZINC001154770216 831362254 /nfs/dbraw/zinc/36/22/54/831362254.db2.gz DRTDFMSNNVGWJN-UHFFFAOYSA-N 1 0 332.338 -0.109 20 5 EBBDRO Nc1nc(=O)[nH]cc1Nc1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001155257164 831396084 /nfs/dbraw/zinc/39/60/84/831396084.db2.gz XMSNKINZFOCGQU-UHFFFAOYSA-N 1 0 333.312 -0.384 20 5 EBBDRO O=C(CNc1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-])N1CCCC1 ZINC001156347471 831470556 /nfs/dbraw/zinc/47/05/56/831470556.db2.gz KENBLBSWFRWPPZ-UHFFFAOYSA-N 1 0 335.368 -0.171 20 5 EBBDRO COC(=O)c1nc(Cl)nc(-n2nnc(CC[NH3+])n2)c1[N+](=O)[O-] ZINC001156985352 831522503 /nfs/dbraw/zinc/52/25/03/831522503.db2.gz CICBCSJOZSJAPP-UHFFFAOYSA-N 1 0 328.676 -0.698 20 5 EBBDRO CC1(C)C(=O)NC[C@@H]1Nc1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001163008823 832075320 /nfs/dbraw/zinc/07/53/20/832075320.db2.gz NKMHMGASKXNKJW-VIFPVBQESA-N 1 0 335.368 -0.269 20 5 EBBDRO C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC001350353462 832158632 /nfs/dbraw/zinc/15/86/32/832158632.db2.gz HKFKMEVTTLFXMU-SNVBAGLBSA-N 1 0 336.348 -0.092 20 5 EBBDRO COC(=O)c1cc([N+](=O)[O-])cnc1N1CC(=O)NC2(CC[NH2+]CC2)C1 ZINC001165252362 832208493 /nfs/dbraw/zinc/20/84/93/832208493.db2.gz DUSDHSYGVXGFLQ-UHFFFAOYSA-N 1 0 349.347 -0.165 20 5 EBBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CCNC(=O)C12C[NH2+]C2 ZINC001165302135 832212994 /nfs/dbraw/zinc/21/29/94/832212994.db2.gz JYRPTFMYSHSUKN-UHFFFAOYSA-N 1 0 335.320 -0.555 20 5 EBBDRO CCOC(=O)COc1ncc(-n2nnc(CC[NH3+])n2)cc1[N+](=O)[O-] ZINC001167790136 832373371 /nfs/dbraw/zinc/37/33/71/832373371.db2.gz ABLGGBWZUBTHMW-UHFFFAOYSA-N 1 0 337.296 -0.591 20 5 EBBDRO Cc1nc(CC[NH3+])nn1-c1ncnc(N2CCOCC2)c1[N+](=O)[O-] ZINC001168986424 832442123 /nfs/dbraw/zinc/44/21/23/832442123.db2.gz VHKCJKJYXASVTH-UHFFFAOYSA-N 1 0 334.340 -0.388 20 5 EBBDRO O=C1NCC2(CCOCC2)[C@H]1[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001176504878 832676535 /nfs/dbraw/zinc/67/65/35/832676535.db2.gz IXGPWCZGBUASDK-NEPJUHHUSA-N 1 0 339.352 -0.963 20 5 EBBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCCCCCNC(=O)CC(N)=O ZINC001178082624 832821123 /nfs/dbraw/zinc/82/11/23/832821123.db2.gz TVHDPQKGAOTLGI-UHFFFAOYSA-N 1 0 340.384 -0.030 20 5 EBBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC(C[NH2+]CCN2CCNC2=O)CC1 ZINC001205229404 836555464 /nfs/dbraw/zinc/55/54/64/836555464.db2.gz BDDMXKZGVIDFQS-CHWSQXEVSA-N 1 0 339.396 -0.495 20 5 EBBDRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC001321461592 838996081 /nfs/dbraw/zinc/99/60/81/838996081.db2.gz RXJNLVBUSSCILJ-AWEZNQCLSA-N 1 0 349.391 -0.427 20 5 EBBDRO C[NH+](C)CCOCCNC(=O)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC001325500303 839878640 /nfs/dbraw/zinc/87/86/40/839878640.db2.gz QFNJNCPFTJUOMX-UHFFFAOYSA-N 1 0 338.364 -0.095 20 5 EBBDRO O=C(NCCn1cc([N+](=O)[O-])cn1)c1cn(C2CC[NH2+]CC2)nn1 ZINC001326673769 840172583 /nfs/dbraw/zinc/17/25/83/840172583.db2.gz AYARXNPMHRELLH-UHFFFAOYSA-N 1 0 334.340 -0.263 20 5 EBBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C2CCN([C@@H]3CCOC3)CC2)c1 ZINC001327958569 840557895 /nfs/dbraw/zinc/55/78/95/840557895.db2.gz WLACXJXVSWELBX-UKRRQHHQSA-N 1 0 339.396 -0.005 20 5 EBBDRO O=C1NC2(CO1)CC[NH+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)CC2 ZINC001342230285 843150641 /nfs/dbraw/zinc/15/06/41/843150641.db2.gz ZRPOOAQSNAORLP-NSHDSACASA-N 1 0 325.325 -0.273 20 5 EBBDRO CNS(=O)(=O)C1CC[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC001343877384 843262802 /nfs/dbraw/zinc/26/28/02/843262802.db2.gz BNTKLRLCBXABSN-NSHDSACASA-N 1 0 347.397 -0.834 20 5 EBBDRO COCCN1CCC[C@@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC001346123893 843478583 /nfs/dbraw/zinc/47/85/83/843478583.db2.gz WQFITECOZPRXNE-OCCSQVGLSA-N 1 0 327.385 -0.147 20 5 EBBDRO C[C@H]1C[C@H](NC(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)CC[N@@H+]1C ZINC001346275996 843496196 /nfs/dbraw/zinc/49/61/96/843496196.db2.gz GFXBNJDVXYXGOU-WDEREUQCSA-N 1 0 338.368 -0.494 20 5 EBBDRO Cn1nncc1C[NH2+]CC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCOCC1 ZINC001484862284 1126646607 /nfs/dbraw/zinc/64/66/07/1126646607.db2.gz DTYILHPQHOIDKP-VXGBXAGGSA-N 1 0 338.368 -0.765 20 5 EBBDRO C[C@@H](NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)C(=O)NCC[NH+](C)C ZINC000560561620 376084138 /nfs/dbraw/zinc/08/41/38/376084138.db2.gz KHJXKEAKNUFKDC-MRVPVSSYSA-N 1 0 325.325 -0.509 20 5 EBBDRO C[C@@H](C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000610559974 376296238 /nfs/dbraw/zinc/29/62/38/376296238.db2.gz DUZXDYSNMAXPGJ-JTQLQIEISA-N 1 0 344.393 -0.061 20 5 EBBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000588863577 376396707 /nfs/dbraw/zinc/39/67/07/376396707.db2.gz QJCCAMLTIPMTQT-YPMHNXCESA-N 1 0 336.348 -0.576 20 5 EBBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](CO)C[NH+](C)C ZINC000588864399 376397209 /nfs/dbraw/zinc/39/72/09/376397209.db2.gz HAIBDLDDCDEURW-ZYHUDNBSSA-N 1 0 338.364 -0.248 20 5 EBBDRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000338961159 376633420 /nfs/dbraw/zinc/63/34/20/376633420.db2.gz JCRWFNRVCHGRCI-LLVKDONJSA-N 1 0 338.368 -0.505 20 5 EBBDRO CC[N@@H+]1CC[C@@H]2OCCN(C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)[C@H]2C1 ZINC000339395677 376654390 /nfs/dbraw/zinc/65/43/90/376654390.db2.gz MFYNYCXZMMOIBH-ILXRZTDVSA-N 1 0 339.396 -0.053 20 5 EBBDRO COC(=O)C[C@]1([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCOC1 ZINC000362269411 376725789 /nfs/dbraw/zinc/72/57/89/376725789.db2.gz IYWTZKHSNIKZSS-WCQYABFASA-N 1 0 328.325 -0.536 20 5 EBBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000562961661 377066440 /nfs/dbraw/zinc/06/64/40/377066440.db2.gz LYBYABXLOJFDNO-CYBMUJFWSA-N 1 0 349.391 -0.346 20 5 EBBDRO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@H](CO)C[NH+](C)C ZINC000590369799 377479766 /nfs/dbraw/zinc/47/97/66/377479766.db2.gz NLWVCGXYHSIBHK-WDEREUQCSA-N 1 0 342.400 -0.134 20 5 EBBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC[C@@H](N3CCOCC3)C2)c1 ZINC000566425559 377530427 /nfs/dbraw/zinc/53/04/27/377530427.db2.gz FBXSHMAHKCPAHA-HIFRSBDPSA-N 1 0 339.396 -0.051 20 5 EBBDRO CS(=O)(=O)c1cc(C(=O)NC[C@H]2C[NH2+]CCO2)cc([N+](=O)[O-])c1 ZINC000591687463 377749992 /nfs/dbraw/zinc/74/99/92/377749992.db2.gz JSLQQISUPBXHBV-LLVKDONJSA-N 1 0 343.361 -0.284 20 5 EBBDRO COC(=O)[C@H]1C[NH2+]CCCN1C(=O)c1c([N+](=O)[O-])c(C)nn1C ZINC000592547827 377839911 /nfs/dbraw/zinc/83/99/11/377839911.db2.gz AMAKPJPTKRKMAI-SECBINFHSA-N 1 0 325.325 -0.386 20 5 EBBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)n1 ZINC000593235305 377877576 /nfs/dbraw/zinc/87/75/76/377877576.db2.gz NDHJCYVBXVIIKB-UHFFFAOYSA-N 1 0 338.368 -0.343 20 5 EBBDRO C[NH+](C)CCN1CCN(c2c(C(N)=O)cccc2[N+](=O)[O-])CC1=O ZINC000593486170 377889745 /nfs/dbraw/zinc/88/97/45/377889745.db2.gz OCOHVYJFXQFETA-UHFFFAOYSA-N 1 0 335.364 -0.096 20 5 EBBDRO CN(C(=O)CN(CC[NH3+])C[C@@H](O)CO)c1ccc([N+](=O)[O-])cc1 ZINC000595901823 378034635 /nfs/dbraw/zinc/03/46/35/378034635.db2.gz KDYBCEGWOHXBNT-CYBMUJFWSA-N 1 0 326.353 -0.829 20 5 EBBDRO C[C@H]1CN(c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CC[N@@H+]1CCO ZINC000596207082 378055682 /nfs/dbraw/zinc/05/56/82/378055682.db2.gz AKTFIBQAYWZMKJ-JTQLQIEISA-N 1 0 344.393 -0.255 20 5 EBBDRO CCO[C@H](CC[NH+](C)C)C[N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599256203 378214552 /nfs/dbraw/zinc/21/45/52/378214552.db2.gz WMGPNVJTROQTQD-SNVBAGLBSA-N 1 0 349.413 -0.037 20 5 EBBDRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000598185184 378157949 /nfs/dbraw/zinc/15/79/49/378157949.db2.gz HHWVSPVULXWWPP-UHFFFAOYSA-N 1 0 340.384 -0.340 20 5 EBBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000567611689 378163760 /nfs/dbraw/zinc/16/37/60/378163760.db2.gz CPIMVGBKMLZGTE-JTQLQIEISA-N 1 0 338.368 -0.212 20 5 EBBDRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000419459948 379340710 /nfs/dbraw/zinc/34/07/10/379340710.db2.gz DUPAYEAXRSKGKZ-ZYHUDNBSSA-N 1 0 338.368 -0.364 20 5 EBBDRO C[C@H]1CCN(C(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)C[C@H]1C[NH3+] ZINC000419469934 379342061 /nfs/dbraw/zinc/34/20/61/379342061.db2.gz XJXRVDYDGXBEHG-WDEREUQCSA-N 1 0 338.368 -0.649 20 5 EBBDRO Cc1c(CNC(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000419759447 379344676 /nfs/dbraw/zinc/34/46/76/379344676.db2.gz MGDYAGCSUHLCMO-LBPRGKRZSA-N 1 0 336.348 -0.294 20 5 EBBDRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000249397114 379357871 /nfs/dbraw/zinc/35/78/71/379357871.db2.gz RVDSFHAQAPHKDX-TZMCWYRMSA-N 1 0 341.412 -0.071 20 5 EBBDRO CCn1cc(S(=O)(=O)NCCCN2CC[NH2+]CC2)c([N+](=O)[O-])n1 ZINC000353240949 379688469 /nfs/dbraw/zinc/68/84/69/379688469.db2.gz BLQMIVQTMNIBMG-UHFFFAOYSA-N 1 0 346.413 -0.615 20 5 EBBDRO CCNS(=O)(=O)[C@@H]1CC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000271362756 379754794 /nfs/dbraw/zinc/75/47/94/379754794.db2.gz PYUIBMMLVNYVIW-VXGBXAGGSA-N 1 0 347.397 -0.834 20 5 EBBDRO C[NH+]1CCC(CCO)(NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000354147737 379706008 /nfs/dbraw/zinc/70/60/08/379706008.db2.gz IVIVDTPONYOZAV-UHFFFAOYSA-N 1 0 338.364 -0.281 20 5 EBBDRO C[C@@H](O)C[N@@H+]1CCN(C(=O)NCCn2cc([N+](=O)[O-])cn2)[C@H](C)C1 ZINC000354551235 379708195 /nfs/dbraw/zinc/70/81/95/379708195.db2.gz KLQQSCIJTHQCRH-VXGBXAGGSA-N 1 0 340.384 -0.112 20 5 EBBDRO [NH3+][C@H]1C[C@@H]2CN(CC(=O)Nc3ccccc3[N+](=O)[O-])CCN2C1=O ZINC000574292618 379948886 /nfs/dbraw/zinc/94/88/86/379948886.db2.gz PAZJAXHZNKTHDE-MNOVXSKESA-N 1 0 333.348 -0.223 20 5 EBBDRO C[C@H](CO)[N@@H+]1CCCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000346613254 380736110 /nfs/dbraw/zinc/73/61/10/380736110.db2.gz GYHFOIWEMHTXIS-OCCSQVGLSA-N 1 0 327.385 -0.459 20 5 EBBDRO NC(=O)COc1cccc(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000581938527 381121635 /nfs/dbraw/zinc/12/16/35/381121635.db2.gz GRPLCFAUPGDFRU-ZDUSSCGKSA-N 1 0 349.347 -0.194 20 5 EBBDRO CC(C)[NH2+]C1(CO)CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000584728775 381205134 /nfs/dbraw/zinc/20/51/34/381205134.db2.gz WBPQFVXXEXIMJF-CQSZACIVSA-N 1 0 341.412 -0.023 20 5 EBBDRO O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1[nH]ncc1[N+](=O)[O-] ZINC000576821872 381921386 /nfs/dbraw/zinc/92/13/86/381921386.db2.gz CULANFLFYGWRRC-QMMMGPOBSA-N 1 0 336.274 -0.116 20 5 EBBDRO C[C@H](O)C[N@@H+]1CCN(C(=O)NCCn2cc([N+](=O)[O-])cn2)C[C@@H]1C ZINC000248625836 154189832 /nfs/dbraw/zinc/18/98/32/154189832.db2.gz OANPVKGFNINONS-RYUDHWBXSA-N 1 0 340.384 -0.112 20 5 EBBDRO CN(CC(=O)NCC1C[NH2+]C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000262021921 154208461 /nfs/dbraw/zinc/20/84/61/154208461.db2.gz MNTKJLXPDINUIQ-UHFFFAOYSA-N 1 0 342.377 -0.449 20 5 EBBDRO Cc1c(C(=O)N2CC[NH2+]C[C@@H]2C)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000262014718 154208675 /nfs/dbraw/zinc/20/86/75/154208675.db2.gz KKOCUNCVXNYVID-QMMMGPOBSA-N 1 0 342.377 -0.015 20 5 EBBDRO COc1cc(CCNC(=O)CNC(=O)C[NH3+])c([N+](=O)[O-])cc1OC ZINC000262150059 154215017 /nfs/dbraw/zinc/21/50/17/154215017.db2.gz BITVEGGAKLMLCG-UHFFFAOYSA-N 1 0 340.336 -0.654 20 5 EBBDRO [NH3+][C@@H]1CCN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000262478255 154233779 /nfs/dbraw/zinc/23/37/79/154233779.db2.gz QLBRBWXAYRJSFQ-SNVBAGLBSA-N 1 0 342.377 -0.177 20 5 EBBDRO C[C@@H]([NH3+])[C@H](C)C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000262522905 154234900 /nfs/dbraw/zinc/23/49/00/154234900.db2.gz JHZCQMHKKLQRDS-VHSXEESVSA-N 1 0 344.393 -0.027 20 5 EBBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCCN1CC[NH2+]CC1 ZINC000262526349 154235488 /nfs/dbraw/zinc/23/54/88/154235488.db2.gz OYKBLOGILOXNMR-UHFFFAOYSA-N 1 0 344.393 -0.213 20 5 EBBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCO[C@H](C[NH3+])C1 ZINC000262559894 154238417 /nfs/dbraw/zinc/23/84/17/154238417.db2.gz VCQZBEUWQRUFRO-SNVBAGLBSA-N 1 0 331.350 -0.048 20 5 EBBDRO COc1cc(S(=O)(=O)NC[C@@]2(O)CC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC000358195840 157227364 /nfs/dbraw/zinc/22/73/64/157227364.db2.gz KGAJWLDYPZCMSZ-ZDUSSCGKSA-N 1 0 345.377 -0.052 20 5 EBBDRO COC[C@@H](O)C[N@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000420979452 420915949 /nfs/dbraw/zinc/91/59/49/420915949.db2.gz YWTRZFLFBZYMNR-LBPRGKRZSA-N 1 0 347.393 -0.188 20 5 EBBDRO C[N@H+](CCCO)C1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000173754932 420952858 /nfs/dbraw/zinc/95/28/58/420952858.db2.gz HBPDXISASNJSER-HNNXBMFYSA-N 1 0 341.412 -0.069 20 5 EBBDRO [NH3+][C@@H]1CCN(C(=O)C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000422986048 420921890 /nfs/dbraw/zinc/92/18/90/420921890.db2.gz BEHMZRBMJJAQLC-GFCCVEGCSA-N 1 0 347.375 -0.197 20 5 EBBDRO O=C(C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1)N1CC[NH2+]CC1 ZINC000423586684 265016528 /nfs/dbraw/zinc/01/65/28/265016528.db2.gz DXHPLKHUOVXITO-UHFFFAOYSA-N 1 0 348.363 -0.930 20 5 EBBDRO [NH3+][C@@H]1C[C@@H]1C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000424102066 265047828 /nfs/dbraw/zinc/04/78/28/265047828.db2.gz AHSAKTCVELPBBN-WDEREUQCSA-N 1 0 328.350 -0.664 20 5 EBBDRO Cc1c(C(=O)N2CC[C@@H]([NH3+])C2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000428378260 265122179 /nfs/dbraw/zinc/12/21/79/265122179.db2.gz IBSRTZLWYHZVDN-MRVPVSSYSA-N 1 0 328.350 -0.276 20 5 EBBDRO CC(C)(C[NH3+])C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000430293416 265147112 /nfs/dbraw/zinc/14/71/12/265147112.db2.gz LSENAERSQYXPKB-UHFFFAOYSA-N 1 0 344.393 -0.026 20 5 EBBDRO C[C@@H](C[NH3+])CNC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000441626186 265309817 /nfs/dbraw/zinc/30/98/17/265309817.db2.gz XGKPBJWCMHYFMI-JTQLQIEISA-N 1 0 344.393 -0.026 20 5 EBBDRO COC(=O)CN(CCN1CC[NH+](C)CC1)Cn1nccc1[N+](=O)[O-] ZINC000799145069 583610411 /nfs/dbraw/zinc/61/04/11/583610411.db2.gz MAAYRGAXRUXLJE-UHFFFAOYSA-N 1 0 340.384 -0.529 20 5 EBBDRO C[NH+](C)CCCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000840383868 583757473 /nfs/dbraw/zinc/75/74/73/583757473.db2.gz ACIMUHJUWWGQDK-QJPTWQEYSA-N 1 0 333.410 -0.381 20 5 EBBDRO O=C1c2ccc([N+](=O)[O-])cc2S(=O)(=O)N1CCN1CC[NH2+]CC1 ZINC000830413952 583966819 /nfs/dbraw/zinc/96/68/19/583966819.db2.gz JLZSMXUUOJAENU-UHFFFAOYSA-N 1 0 340.361 -0.356 20 5 EBBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@@H](O)CN2CCOCC2)c1 ZINC000843061008 584070992 /nfs/dbraw/zinc/07/09/92/584070992.db2.gz WOJBICJZDSKESX-CABCVRRESA-N 1 0 325.365 -0.089 20 5 EBBDRO O=C1OCCN1[C@@H]1CC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000852431646 584212470 /nfs/dbraw/zinc/21/24/70/584212470.db2.gz FEDPAVSWCFOEKH-ZYHUDNBSSA-N 1 0 325.325 -0.321 20 5 EBBDRO CN(C)S(=O)(=O)N1CC([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000863586443 584373873 /nfs/dbraw/zinc/37/38/73/584373873.db2.gz ABEMUEWMDWCYRL-ZDUSSCGKSA-N 1 0 344.393 -0.292 20 5 EBBDRO O=C(C[NH+]1CCCC1)N1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@H]2C1 ZINC000961551198 723036802 /nfs/dbraw/zinc/03/68/02/723036802.db2.gz OQHBPTYVMCGZEZ-XJFOESAGSA-N 1 0 336.392 -0.336 20 5 EBBDRO O=C(C[NH+]1CCCC1)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000968998818 725140461 /nfs/dbraw/zinc/14/04/61/725140461.db2.gz KAEHSXFXLOOPAI-XJFOESAGSA-N 1 0 336.392 -0.051 20 5 EBBDRO C[N@H+](CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CCC1 ZINC000976479463 726323469 /nfs/dbraw/zinc/32/34/69/726323469.db2.gz YGUAPTURJJWMBV-VVSAWPALSA-N 1 0 336.392 -0.291 20 5 EBBDRO CCC[N@H+](C)CCC(=O)N(CCO)CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001058252378 737734889 /nfs/dbraw/zinc/73/48/89/737734889.db2.gz HEKNGRJGXWYYSK-CHWSQXEVSA-N 1 0 344.412 -0.679 20 5 EBBDRO CN(C)C(=O)C[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@@]2(C)C1 ZINC000982278861 806448056 /nfs/dbraw/zinc/44/80/56/806448056.db2.gz UEFASABOXYEOBV-BHTHQVBYSA-N 1 0 338.408 -0.090 20 5 EBBDRO CC[N@H+](CCNC(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1)C(C)C ZINC001261164720 812870247 /nfs/dbraw/zinc/87/02/47/812870247.db2.gz AYQHOTKJUPLUCF-UHFFFAOYSA-N 1 0 340.384 -0.246 20 5 EBBDRO C[C@@H]([NH3+])[C@H]1CN(C(=O)C(=O)NCc2cccc([N+](=O)[O-])c2)CCO1 ZINC001261379475 812900279 /nfs/dbraw/zinc/90/02/79/812900279.db2.gz DERNSSRNHBFLSW-ZWNOBZJWSA-N 1 0 336.348 -0.214 20 5 EBBDRO CS(=O)(=O)CC1(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CC1 ZINC001266591404 813616474 /nfs/dbraw/zinc/61/64/74/813616474.db2.gz JZDBKDFMDJOEAW-DDHJBXDOSA-N 1 0 345.421 -0.287 20 5 EBBDRO O=C(NCC1([NH2+]CC2CCS(=O)(=O)CC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001269411448 814680199 /nfs/dbraw/zinc/68/01/99/814680199.db2.gz HUNBZSGRVOJXCZ-VXGBXAGGSA-N 1 0 345.421 -0.285 20 5 EBBDRO Cn1cc(C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3c([N+](=O)[O-])ncn3C)C2)nn1 ZINC001086076416 816223660 /nfs/dbraw/zinc/22/36/60/816223660.db2.gz ZHTHGYKIKXQXBV-AOOOYVTPSA-N 1 0 348.367 -0.245 20 5 EBBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@@H]1C[C@H](CNC(=O)c2nnn(C)n2)C1 ZINC001086170864 816258417 /nfs/dbraw/zinc/25/84/17/816258417.db2.gz LZMZWSGURHGMOC-DTORHVGOSA-N 1 0 349.355 -0.850 20 5 EBBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@@H]1C[C@H](CNC(=O)c2cnn(C)n2)C1 ZINC001086223925 816272130 /nfs/dbraw/zinc/27/21/30/816272130.db2.gz PERWCCGQWGGPNR-AOOOYVTPSA-N 1 0 348.367 -0.245 20 5 EBBDRO C[NH+](C)CCC(=O)N1CCCN(c2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC001095204765 818583498 /nfs/dbraw/zinc/58/34/98/818583498.db2.gz DUSDSGPZRKIVED-UHFFFAOYSA-N 1 0 337.384 -0.043 20 5 EBBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC(n2cc(C[NH2+]CCCF)nn2)C1 ZINC001105235731 821636804 /nfs/dbraw/zinc/63/68/04/821636804.db2.gz QLZYOUAQYPSZNT-VXGBXAGGSA-N 1 0 326.332 -0.224 20 5 EBBDRO Cn1cnc([N+](=O)[O-])c1CN1CC(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001318055320 822250609 /nfs/dbraw/zinc/25/06/09/822250609.db2.gz ANEPOBQQHKOFKL-UHFFFAOYSA-N 1 0 336.396 -0.030 20 5 EBBDRO CN1CC[NH+](CC2CN(C(=O)CCn3cc([N+](=O)[O-])cn3)C2)CC1 ZINC001117762458 826807599 /nfs/dbraw/zinc/80/75/99/826807599.db2.gz QOERIFGLERLVCO-UHFFFAOYSA-N 1 0 336.396 -0.113 20 5 EBBDRO Cc1ccc(CN(C)C(=O)C[NH2+]CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])o1 ZINC001126938895 828234520 /nfs/dbraw/zinc/23/45/20/828234520.db2.gz LZJHWOQAPMDFGE-CHWSQXEVSA-N 1 0 338.364 -0.083 20 5 EBBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N(CC[NH+](C)C)CC(=O)N(C)C ZINC001130806216 828944106 /nfs/dbraw/zinc/94/41/06/828944106.db2.gz HUOHNOCDVXNGLI-UHFFFAOYSA-N 1 0 340.384 -0.422 20 5 EBBDRO COCCOCC[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 ZINC001147507089 830354562 /nfs/dbraw/zinc/35/45/62/830354562.db2.gz LSDYIYRNJHSHGM-CHWSQXEVSA-N 1 0 327.381 -0.151 20 5 EBBDRO O=C(CN1C(=O)CNC1=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001150331097 830863802 /nfs/dbraw/zinc/86/38/02/830863802.db2.gz FMZRSTHIGYVMID-UHFFFAOYSA-N 1 0 335.320 -0.648 20 5 EBBDRO O=C(CN1C(=O)CCC1=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001150474023 830912987 /nfs/dbraw/zinc/91/29/87/830912987.db2.gz ZKSLDQCQFOGFMT-UHFFFAOYSA-N 1 0 334.332 -0.050 20 5 EBBDRO NC(=O)Cn1cc(C(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])nn1 ZINC001152415231 831161361 /nfs/dbraw/zinc/16/13/61/831161361.db2.gz ZNHCIXRXDWHZCU-UHFFFAOYSA-N 1 0 347.335 -0.809 20 5 EBBDRO O=C(C[NH2+]CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])NCc1cccnc1 ZINC001157761135 831590178 /nfs/dbraw/zinc/59/01/78/831590178.db2.gz NYQORCHSZWJUSO-CHWSQXEVSA-N 1 0 335.364 -0.541 20 5 EBBDRO O=C(NCCC[NH2+]Cc1nc(-c2ccncn2)no1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157767881 831591664 /nfs/dbraw/zinc/59/16/64/831591664.db2.gz ZSRZYRQPIJWZEQ-MWLCHTKSSA-N 1 0 347.335 -0.212 20 5 EBBDRO O=C(Cn1ncnn1)NCCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001158162999 831633240 /nfs/dbraw/zinc/63/32/40/831633240.db2.gz FLZYDOZVOMXYKY-UHFFFAOYSA-N 1 0 325.354 -0.061 20 5 EBBDRO Cc1cc(N)n(Nc2ncnc(N3CC[NH2+]CC3)c2[N+](=O)[O-])c(=O)c1 ZINC001158414358 831652687 /nfs/dbraw/zinc/65/26/87/831652687.db2.gz JDKMNPAMNOHWLI-UHFFFAOYSA-N 1 0 346.351 -0.278 20 5 EBBDRO Cc1[nH]c(=O)[nH]c1C(=O)NCCC[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC001160516624 831859933 /nfs/dbraw/zinc/85/99/33/831859933.db2.gz VFIHEICHCNIAKF-UHFFFAOYSA-N 1 0 337.340 -0.025 20 5 EBBDRO [NH3+]CCC[C@H](Nc1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-])C(=O)[O-] ZINC001160594833 831868788 /nfs/dbraw/zinc/86/87/88/831868788.db2.gz YZOQAMCKVSIFSM-VIFPVBQESA-N 1 0 339.356 -0.602 20 5 EBBDRO O=[N+]([O-])c1c(N2CC[NH2+]CC2)ncnc1N1C[C@H](CO)C[C@H](F)C1 ZINC001164040414 832168608 /nfs/dbraw/zinc/16/86/08/832168608.db2.gz OIJVBRQJAWXVJI-MNOVXSKESA-N 1 0 340.359 -0.049 20 5 EBBDRO CC(=O)N(C)C1CN(c2ncnc(N3CC[NH2+]CC3)c2[N+](=O)[O-])C1 ZINC001166727252 832284855 /nfs/dbraw/zinc/28/48/55/832284855.db2.gz JYRGBSNQAWEBFF-UHFFFAOYSA-N 1 0 335.368 -0.539 20 5 EBBDRO O=C1OC[C@H]2CN(c3ncnc(N4CC[NH2+]CC4)c3[N+](=O)[O-])CCN12 ZINC001166927545 832299354 /nfs/dbraw/zinc/29/93/54/832299354.db2.gz HMZNSRFQZMESGN-SNVBAGLBSA-N 1 0 349.351 -0.565 20 5 EBBDRO CS(=O)(=O)NCC[NH2+]CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001205230386 836555597 /nfs/dbraw/zinc/55/55/97/836555597.db2.gz PNARLJCJGOLFJU-VXGBXAGGSA-N 1 0 348.425 -0.971 20 5 EBBDRO O=[N+]([O-])c1cnn(C[C@@H](O)CN2CC[NH+](C[C@@H]3CCOC3)CC2)c1 ZINC001319011739 838060400 /nfs/dbraw/zinc/06/04/00/838060400.db2.gz GPYYKEZBSUIOKH-ZFWWWQNUSA-N 1 0 339.396 -0.194 20 5 EBBDRO O=C(c1c[nH]nc1[N+](=O)[O-])N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC001325267731 839833649 /nfs/dbraw/zinc/83/36/49/839833649.db2.gz OFJVWURTNUUMJO-UHFFFAOYSA-N 1 0 339.352 -0.383 20 5 EBBDRO Cc1nn(C)cc1C[NH2+]CCN(CCO)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001326024648 840006113 /nfs/dbraw/zinc/00/61/13/840006113.db2.gz WTPCASMNMIQRMM-CHWSQXEVSA-N 1 0 325.369 -0.696 20 5 EBBDRO O=C1NC(=O)[C@]2(CCC[N@@H+](CCn3cc([N+](=O)[O-])ccc3=O)C2)N1 ZINC001326721890 840185365 /nfs/dbraw/zinc/18/53/65/840185365.db2.gz XFZVZEJNUGDGPG-CQSZACIVSA-N 1 0 335.320 -0.570 20 5 EBBDRO O=C(Cn1c(=O)onc1-c1ccc([N+](=O)[O-])cc1)N1CC[NH2+]CC1 ZINC001326806523 840205533 /nfs/dbraw/zinc/20/55/33/840205533.db2.gz VNLDMLSAGSCJCV-UHFFFAOYSA-N 1 0 333.304 -0.157 20 5 EBBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H](CCO)C2CCOCC2)c1 ZINC001327004750 840268781 /nfs/dbraw/zinc/26/87/81/840268781.db2.gz WAOJMXQSPNMWNZ-ZIAGYGMSSA-N 1 0 328.369 -0.081 20 5 EBBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)C(=O)NC[C@H]1COCC[NH2+]1 ZINC001331619212 841440941 /nfs/dbraw/zinc/44/09/41/841440941.db2.gz BMKRXNVIXWNPKM-LBPRGKRZSA-N 1 0 336.348 -0.342 20 5 EBBDRO CC(C)[C@H]1CN(C(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)CC[NH2+]1 ZINC001345179637 843372558 /nfs/dbraw/zinc/37/25/58/843372558.db2.gz LJQKQLKMEIVIHB-GFCCVEGCSA-N 1 0 338.368 -0.636 20 5 EBBDRO C[N@H+](CCNC(=O)CN1CCNC(=O)C1)Cc1ccc([N+](=O)[O-])cc1 ZINC001690967901 1125795489 /nfs/dbraw/zinc/79/54/89/1125795489.db2.gz JVSIMIULKQAVPO-UHFFFAOYSA-N 1 0 349.391 -0.425 20 5 EBBDRO CN(CC[NH2+]Cc1c([N+](=O)[O-])ncn1C)C(=O)c1ccc(=O)[nH]n1 ZINC001691252167 1125845529 /nfs/dbraw/zinc/84/55/29/1125845529.db2.gz XLFDETKKEPMTBR-UHFFFAOYSA-N 1 0 335.324 -0.314 20 5 EBBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)NC[C@@]1(O)C[NH+]2CCC1CC2 ZINC000558034262 375892830 /nfs/dbraw/zinc/89/28/30/375892830.db2.gz CKRKMEGCVDWCNP-OAHLLOKOSA-N 1 0 336.348 -0.671 20 5 EBBDRO CCN(CCC[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)S(C)(=O)=O ZINC000321081881 376588522 /nfs/dbraw/zinc/58/85/22/376588522.db2.gz RVRXUWLEYWMREJ-GFCCVEGCSA-N 1 0 349.413 -0.587 20 5 EBBDRO COC[C@@H](O)C[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000572993134 376891164 /nfs/dbraw/zinc/89/11/64/376891164.db2.gz OWKSZCMAYRHVLA-JTQLQIEISA-N 1 0 333.366 -0.530 20 5 EBBDRO CO[C@H](C[NH3+])C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000289893279 377011677 /nfs/dbraw/zinc/01/16/77/377011677.db2.gz IQMARTGNMMPCQQ-CYBMUJFWSA-N 1 0 336.348 -0.147 20 5 EBBDRO CN(C)C(=O)[C@@H]1CC[C@H](C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)O1 ZINC000562991013 377068590 /nfs/dbraw/zinc/06/85/90/377068590.db2.gz LLAOARMRFYONIP-XQQFMLRXSA-N 1 0 341.368 -0.622 20 5 EBBDRO COCCN1CCC([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000566109095 377483514 /nfs/dbraw/zinc/48/35/14/377483514.db2.gz LJBVGZISERSRLE-CQSZACIVSA-N 1 0 327.385 -0.147 20 5 EBBDRO COc1ccc(S(=O)(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000590586953 377638682 /nfs/dbraw/zinc/63/86/82/377638682.db2.gz XRYOPXABEKMJCZ-RYUDHWBXSA-N 1 0 345.377 -0.101 20 5 EBBDRO C[C@H]([NH3+])CNC(=O)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000591418767 377714489 /nfs/dbraw/zinc/71/44/89/377714489.db2.gz LKLIXMOJASZFKE-NSHDSACASA-N 1 0 335.364 -0.293 20 5 EBBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CCCN2CCCS2(=O)=O)c1 ZINC000591732536 377753473 /nfs/dbraw/zinc/75/34/73/377753473.db2.gz MLRJNXAGKVJZSN-GFCCVEGCSA-N 1 0 347.397 -0.833 20 5 EBBDRO [NH3+]CCN(CCC(=O)Nc1ccccc1[N+](=O)[O-])C[C@@H](O)CO ZINC000595903659 378036108 /nfs/dbraw/zinc/03/61/08/378036108.db2.gz ZKVHYPHCPTUBOC-LLVKDONJSA-N 1 0 326.353 -0.463 20 5 EBBDRO C[NH2+]C[C@H](C)NC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000595984095 378046119 /nfs/dbraw/zinc/04/61/19/378046119.db2.gz UWTWXAPIQLJIOL-JTQLQIEISA-N 1 0 344.393 -0.061 20 5 EBBDRO C[C@]1(NC(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC[NH2+]C1 ZINC000595990981 378050022 /nfs/dbraw/zinc/05/00/22/378050022.db2.gz FCPBUMRIBJCWNX-ZDUSSCGKSA-N 1 0 342.377 -0.259 20 5 EBBDRO CCS(=O)(=O)C1(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000596066165 378052071 /nfs/dbraw/zinc/05/20/71/378052071.db2.gz ZHKKTEFBVXHJHM-NSHDSACASA-N 1 0 332.382 -0.291 20 5 EBBDRO CN([C@@H](C[NH3+])C(F)(F)F)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599100153 378196701 /nfs/dbraw/zinc/19/67/01/378196701.db2.gz KKCRPLTZQGQIOP-LURJTMIESA-N 1 0 331.276 -0.162 20 5 EBBDRO CN([C@H](C[NH3+])C(F)(F)F)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599100155 378196893 /nfs/dbraw/zinc/19/68/93/378196893.db2.gz KKCRPLTZQGQIOP-ZCFIWIBFSA-N 1 0 331.276 -0.162 20 5 EBBDRO NS(=O)(=O)c1cc(NCC[N@@H+]2CC[C@@H](O)C2)cc([N+](=O)[O-])c1 ZINC000599176294 378200714 /nfs/dbraw/zinc/20/07/14/378200714.db2.gz PXFXTIXHFBMLLA-LLVKDONJSA-N 1 0 330.366 -0.279 20 5 EBBDRO COCCC[N@H+](C)CCNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599240967 378207608 /nfs/dbraw/zinc/20/76/08/378207608.db2.gz CYTHJGRWKOUQAX-UHFFFAOYSA-N 1 0 335.386 -0.425 20 5 EBBDRO CS[C@@H]1CN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000599269309 378217198 /nfs/dbraw/zinc/21/71/98/378217198.db2.gz RJWPTOYVANDYIG-WCBMZHEXSA-N 1 0 349.438 -0.006 20 5 EBBDRO CCn1cc([N+](=O)[O-])c(C(=O)N(CC[NH+](C)C)CC(=O)N(C)C)n1 ZINC000598185954 378158520 /nfs/dbraw/zinc/15/85/20/378158520.db2.gz QVWJVEKDKPDMNF-UHFFFAOYSA-N 1 0 340.384 -0.097 20 5 EBBDRO CC(C)(C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)NS(C)(=O)=O ZINC000316220061 378499759 /nfs/dbraw/zinc/49/97/59/378499759.db2.gz DRDLPNOKSKKHEN-JTQLQIEISA-N 1 0 335.386 -0.930 20 5 EBBDRO CN1CCN(C(=O)C(=O)NCCc2cccc([N+](=O)[O-])c2)[C@H](C[NH3+])C1 ZINC000569794965 378503518 /nfs/dbraw/zinc/50/35/18/378503518.db2.gz VCQIFLQUQWHKSS-CQSZACIVSA-N 1 0 349.391 -0.645 20 5 EBBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@@H]2CCCCN2CCO)c1 ZINC000573967428 379170849 /nfs/dbraw/zinc/17/08/49/379170849.db2.gz WWCQEGWALROPNY-GXTWGEPZSA-N 1 0 327.385 -0.411 20 5 EBBDRO C[C@@H](NC(=O)C(=O)N(C)[C@H]1C[NH2+]C[C@@H]1O)c1ccccc1[N+](=O)[O-] ZINC000419149710 379336666 /nfs/dbraw/zinc/33/66/66/379336666.db2.gz LDXOAGWMAOWBGZ-ICCXJUOJSA-N 1 0 336.348 -0.437 20 5 EBBDRO [NH3+]C[C@@H](NC(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1)C1CCCC1 ZINC000419465373 379341597 /nfs/dbraw/zinc/34/15/97/379341597.db2.gz OWLBZNSIJSHKFA-GFCCVEGCSA-N 1 0 338.368 -0.459 20 5 EBBDRO Cc1ccc([C@H](C)NC(=O)C(=O)N(CC[NH3+])CCO)cc1[N+](=O)[O-] ZINC000419277969 379342093 /nfs/dbraw/zinc/34/20/93/379342093.db2.gz VDANHYCYMLBXCL-NSHDSACASA-N 1 0 338.364 -0.140 20 5 EBBDRO NC(=O)[C@@]1(O)CC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000276480396 379478778 /nfs/dbraw/zinc/47/87/78/379478778.db2.gz SADCLKSHZNTNGZ-SMDDNHRTSA-N 1 0 325.321 -0.743 20 5 EBBDRO CO[C@H](C[NH3+])C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000353174888 379618048 /nfs/dbraw/zinc/61/80/48/379618048.db2.gz WOJNLZHVGYYVOX-SECBINFHSA-N 1 0 342.377 -0.086 20 5 EBBDRO Cn1cc(CN2CCC(O)(C[NH+]3CCOCC3)CC2)c([N+](=O)[O-])n1 ZINC000602796925 379679940 /nfs/dbraw/zinc/67/99/40/379679940.db2.gz GMCXTTJAZAECBB-UHFFFAOYSA-N 1 0 339.396 -0.013 20 5 EBBDRO CC[C@@H](CO)[NH+]1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000075962713 379745695 /nfs/dbraw/zinc/74/56/95/379745695.db2.gz ADVDWYGOFYLADO-JSGCOSHPSA-N 1 0 327.385 -0.459 20 5 EBBDRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000548941318 379749870 /nfs/dbraw/zinc/74/98/70/379749870.db2.gz JWHZYSILGSIYSV-LLVKDONJSA-N 1 0 338.368 -0.010 20 5 EBBDRO C[NH+](C)CC(=O)N1CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000090517100 379807891 /nfs/dbraw/zinc/80/78/91/379807891.db2.gz JDTWQXJOCJIRGZ-UHFFFAOYSA-N 1 0 337.380 -0.538 20 5 EBBDRO CNC(=O)C[C@@H](C)[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000268842469 380168892 /nfs/dbraw/zinc/16/88/92/380168892.db2.gz QZOFDNBTBMLTPW-SNVBAGLBSA-N 1 0 344.393 -0.013 20 5 EBBDRO CC(C)(C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)N1CCOCC1 ZINC000574356120 380723995 /nfs/dbraw/zinc/72/39/95/380723995.db2.gz GWJXQFPYPDGYPJ-ZDUSSCGKSA-N 1 0 327.385 -0.147 20 5 EBBDRO C[NH+](C)[C@H]1CN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@@H]1O ZINC000582763617 381064930 /nfs/dbraw/zinc/06/49/30/381064930.db2.gz OLHPMHWGYSSVQA-XBFCOCLRSA-N 1 0 325.365 -0.059 20 5 EBBDRO C[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H](C)N1CCOCC1 ZINC000580829087 381038361 /nfs/dbraw/zinc/03/83/61/381038361.db2.gz YATPWVFFFNEISR-SGMGOOAPSA-N 1 0 327.385 -0.149 20 5 EBBDRO COC(=O)COc1ccc(C[NH2+]C[C@](C)(O)CO)cc1[N+](=O)[O-] ZINC000619464291 381189403 /nfs/dbraw/zinc/18/94/03/381189403.db2.gz NFRCVNCKOZXLEM-AWEZNQCLSA-N 1 0 328.321 -0.021 20 5 EBBDRO Cn1cnc([N+](=O)[O-])c1N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000347451415 381486776 /nfs/dbraw/zinc/48/67/76/381486776.db2.gz QPNUDEWMOGMKKR-UHFFFAOYSA-N 1 0 325.369 -0.008 20 5 EBBDRO CC(C)(C)[C@H](O)C[C@@H](CO)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000576040622 381593941 /nfs/dbraw/zinc/59/39/41/381593941.db2.gz MVXJTJXNTUODGM-WCFLWFBJSA-N 1 0 330.385 -0.100 20 5 EBBDRO [NH3+][C@@H]1C[C@H]2CN(c3cc4nc[nH]c(=O)c4cc3[N+](=O)[O-])CCN2C1=O ZINC000580465406 381759816 /nfs/dbraw/zinc/75/98/16/381759816.db2.gz HNOYPPMGPXGNJS-WCBMZHEXSA-N 1 0 344.331 -0.008 20 5 EBBDRO C[NH+]1CCN(CCNc2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)CC1 ZINC000298795213 155137226 /nfs/dbraw/zinc/13/72/26/155137226.db2.gz ODORMCHQVYDMLZ-UHFFFAOYSA-N 1 0 343.409 -0.099 20 5 EBBDRO C[C@@H](O)C[N@@H+]1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)[C@H](C)C1 ZINC000186968906 154147550 /nfs/dbraw/zinc/14/75/50/154147550.db2.gz HDMFBGIFWUJJRZ-VXGBXAGGSA-N 1 0 338.364 -0.330 20 5 EBBDRO C[C@H]([NH3+])CC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000261670631 154196505 /nfs/dbraw/zinc/19/65/05/154196505.db2.gz AOPGHYHVTYESAH-VIFPVBQESA-N 1 0 330.366 -0.273 20 5 EBBDRO COCC[NH2+]CCNC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000261858275 154203532 /nfs/dbraw/zinc/20/35/32/154203532.db2.gz AECGTESDNKQGBS-UHFFFAOYSA-N 1 0 345.377 -0.036 20 5 EBBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000262016959 154208827 /nfs/dbraw/zinc/20/88/27/154208827.db2.gz IDYWYBRCJZJIQJ-CYBMUJFWSA-N 1 0 336.396 -0.004 20 5 EBBDRO CC(C)[C@H]([NH3+])C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000262146616 154215357 /nfs/dbraw/zinc/21/53/57/154215357.db2.gz QJXLDVGSKHUCBE-LBPRGKRZSA-N 1 0 344.393 -0.027 20 5 EBBDRO [NH3+]CCC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000262248871 154220322 /nfs/dbraw/zinc/22/03/22/154220322.db2.gz RPVOZVMXUVVYQK-UHFFFAOYSA-N 1 0 342.377 -0.224 20 5 EBBDRO CC(C)([NH3+])C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000262434278 154231583 /nfs/dbraw/zinc/23/15/83/154231583.db2.gz LBJMXRSJYNJDJD-UHFFFAOYSA-N 1 0 330.366 -0.273 20 5 EBBDRO C[C@@H]([NH3+])[C@H](C)C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000262463692 154232108 /nfs/dbraw/zinc/23/21/08/154232108.db2.gz KWYIKIAYXQFJQR-VHSXEESVSA-N 1 0 344.393 -0.027 20 5 EBBDRO COc1ccc(S(=O)(=O)N2CCO[C@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000262430940 154232203 /nfs/dbraw/zinc/23/22/03/154232203.db2.gz FWGQLHIVWKDUHS-SNVBAGLBSA-N 1 0 331.350 -0.048 20 5 EBBDRO CN1CC[N@H+](C)C[C@H]1CNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000264824862 154295497 /nfs/dbraw/zinc/29/54/97/154295497.db2.gz YKYFDUBDXJGMJS-SNVBAGLBSA-N 1 0 343.409 -0.100 20 5 EBBDRO [NH3+]C1(C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CCC1 ZINC000297044257 155080190 /nfs/dbraw/zinc/08/01/90/155080190.db2.gz YCHYOKNOKJRXKB-UHFFFAOYSA-N 1 0 342.377 -0.129 20 5 EBBDRO C[NH+]1CCN(c2ccc(NC(=O)Cn3cnc([N+](=O)[O-])n3)cn2)CC1 ZINC000342940312 156075956 /nfs/dbraw/zinc/07/59/56/156075956.db2.gz SDFRFEAAZKHKCX-UHFFFAOYSA-N 1 0 346.351 -0.028 20 5 EBBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000357254369 157130765 /nfs/dbraw/zinc/13/07/65/157130765.db2.gz HVRLVNXJOXFXMY-GFCCVEGCSA-N 1 0 335.364 -0.737 20 5 EBBDRO COc1cccc(C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)c1[N+](=O)[O-] ZINC000516089615 419088685 /nfs/dbraw/zinc/08/86/85/419088685.db2.gz UTNJWNRNHFUDID-KOLCDFICSA-N 1 0 334.332 -0.013 20 5 EBBDRO C[C@@H]1CN(C[C@H](O)C[NH2+]CCn2cc([N+](=O)[O-])cn2)C[C@@H](C)O1 ZINC000516965831 419091324 /nfs/dbraw/zinc/09/13/24/419091324.db2.gz NUYDAOHYSXILPZ-YRGRVCCFSA-N 1 0 327.385 -0.149 20 5 EBBDRO C[NH+](C)CC(=O)N1CCN(C(=O)c2ccnc(N)c2[N+](=O)[O-])CC1 ZINC000594229133 420649408 /nfs/dbraw/zinc/64/94/08/420649408.db2.gz IMKWUOZVRHTQRB-UHFFFAOYSA-N 1 0 336.352 -0.582 20 5 EBBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H]1CS(=O)(=O)C[C@H]1O ZINC000521874968 420898773 /nfs/dbraw/zinc/89/87/73/420898773.db2.gz JVCDVAMDAFCEPT-CKYFFXLPSA-N 1 0 346.361 -0.918 20 5 EBBDRO C[NH+](C)CCNC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000357616754 420947855 /nfs/dbraw/zinc/94/78/55/420947855.db2.gz UVWRJLCGJDANDI-UHFFFAOYSA-N 1 0 344.393 -0.059 20 5 EBBDRO CCOCC[NH+]1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000174782257 264591733 /nfs/dbraw/zinc/59/17/33/264591733.db2.gz ZXZMOVRMBQDDSK-CQSZACIVSA-N 1 0 327.385 -0.194 20 5 EBBDRO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000419464884 264869720 /nfs/dbraw/zinc/86/97/20/264869720.db2.gz NRUXIZCGEJVKSI-ZYHUDNBSSA-N 1 0 338.368 -0.459 20 5 EBBDRO CC[C@@H]([NH3+])CNC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000423672649 265029291 /nfs/dbraw/zinc/02/92/91/265029291.db2.gz FCXCXBSMVIBGMX-SECBINFHSA-N 1 0 330.366 -0.273 20 5 EBBDRO CN(CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)CC(=O)N1CC[NH2+]CC1 ZINC000430600727 265150125 /nfs/dbraw/zinc/15/01/25/265150125.db2.gz ICISQQRLGKCORE-UHFFFAOYSA-N 1 0 349.391 -0.079 20 5 EBBDRO C[C@@H]1C[N@H+](CCCNC(=O)Cn2cnc([N+](=O)[O-])n2)CCCO1 ZINC000432578783 265176968 /nfs/dbraw/zinc/17/69/68/265176968.db2.gz IGWSYRKXZFRCBL-LLVKDONJSA-N 1 0 326.357 -0.197 20 5 EBBDRO O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000449561311 265393338 /nfs/dbraw/zinc/39/33/38/265393338.db2.gz BNLSEIINESNJRN-RTUWITSCSA-N 1 0 332.316 -0.346 20 5 EBBDRO CN1CC[NH2+]C[C@@H]1CNC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000449696183 265394556 /nfs/dbraw/zinc/39/45/56/265394556.db2.gz JSAKWSJAPPKCTK-CQSZACIVSA-N 1 0 349.391 -0.266 20 5 EBBDRO C[C@@H]1[C@@H](N2CCOCC2)CC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000351982128 279089442 /nfs/dbraw/zinc/08/94/42/279089442.db2.gz MXPJFKMDKWLNQM-SNPRPXQTSA-N 1 0 339.396 -0.053 20 5 EBBDRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000277785806 303299842 /nfs/dbraw/zinc/29/98/42/303299842.db2.gz USJGBEQPABSUDY-JTQLQIEISA-N 1 0 337.336 -0.235 20 5 EBBDRO CCNS(=O)(=O)CC[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000819044092 583754383 /nfs/dbraw/zinc/75/43/83/583754383.db2.gz ZJXSLLJRFRJSRA-LBPRGKRZSA-N 1 0 347.393 -0.137 20 5 EBBDRO NC(=O)C1=NO[C@H](C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000819250590 583756338 /nfs/dbraw/zinc/75/63/38/583756338.db2.gz BRNDAMUIKSZXLS-PWSUYJOCSA-N 1 0 338.320 -0.446 20 5 EBBDRO O=C(N[C@@H]1CC[NH2+]C1)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000842224442 584060802 /nfs/dbraw/zinc/06/08/02/584060802.db2.gz AVNXMLPRQWVIAE-GFCCVEGCSA-N 1 0 347.375 -0.279 20 5 EBBDRO C[C@H](C[NH3+])CNC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000842251079 584061963 /nfs/dbraw/zinc/06/19/63/584061963.db2.gz YQDFRDXYHQEHGH-GFCCVEGCSA-N 1 0 349.391 -0.046 20 5 EBBDRO O=C1O[C@H](C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CN1C1CC1 ZINC000848679456 584160418 /nfs/dbraw/zinc/16/04/18/584160418.db2.gz VVPPSBOUYZLNQH-VXGBXAGGSA-N 1 0 325.325 -0.275 20 5 EBBDRO C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000851690989 584199841 /nfs/dbraw/zinc/19/98/41/584199841.db2.gz CQBYCAQJVMMNIT-LBPRGKRZSA-N 1 0 349.391 -0.033 20 5 EBBDRO O=[N+]([O-])c1c(F)cccc1S(=O)(=O)NCCN1CC[NH2+]CC1 ZINC000123105132 584447042 /nfs/dbraw/zinc/44/70/42/584447042.db2.gz FQRZQGKPPLSGGC-UHFFFAOYSA-N 1 0 332.357 -0.083 20 5 EBBDRO O=[N+]([O-])c1cnc(N2CC[NH+](CCCO)CC2)c(-c2nn[nH]n2)c1 ZINC000738370245 598501185 /nfs/dbraw/zinc/50/11/85/598501185.db2.gz SCVOPIBGKQMOTK-UHFFFAOYSA-N 1 0 334.340 -0.326 20 5 EBBDRO COc1ccc(S(=O)(=O)NC[C@@H]2C[NH2+]CCN2C)c([N+](=O)[O-])c1 ZINC000394070296 650008224 /nfs/dbraw/zinc/00/82/24/650008224.db2.gz UTCBNGDBVJKQPR-JTQLQIEISA-N 1 0 344.393 -0.215 20 5 EBBDRO O=C(CN1CCNCC[NH2+]CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000923465372 650341528 /nfs/dbraw/zinc/34/15/28/650341528.db2.gz YXYFYMRAAAKYEJ-UHFFFAOYSA-N 1 0 333.392 -0.021 20 5 EBBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2C1 ZINC000961555084 723037389 /nfs/dbraw/zinc/03/73/89/723037389.db2.gz UJBTVKFQENPBOK-XJFOESAGSA-N 1 0 348.403 -0.336 20 5 EBBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]C1CC2(CC(NC(=O)C(N)=O)C2)C1 ZINC000964774288 724056779 /nfs/dbraw/zinc/05/67/79/724056779.db2.gz DOUJKCHSBZMMMV-UHFFFAOYSA-N 1 0 336.352 -0.669 20 5 EBBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1C[C@H](NC(=O)c2cnc[nH]c2=O)C1 ZINC001020275420 729122129 /nfs/dbraw/zinc/12/21/29/729122129.db2.gz MHRLWNFUDSXDTG-KYZUINATSA-N 1 0 347.335 -0.126 20 5 EBBDRO O=C(Cn1ncnn1)N[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC001025783561 730087394 /nfs/dbraw/zinc/08/73/94/730087394.db2.gz GOFXLSXDHWMGJL-JYAVWHMHSA-N 1 0 343.347 -0.172 20 5 EBBDRO CC[N@H+](C)CCC(=O)N1C[C@@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@@H]2C1 ZINC001055331520 736333469 /nfs/dbraw/zinc/33/34/69/736333469.db2.gz LIXRLYOZRROQTE-XJFOESAGSA-N 1 0 338.408 -0.090 20 5 EBBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC2(C1)CCC[N@H+](CCn1cncn1)C2 ZINC000981762998 806270474 /nfs/dbraw/zinc/27/04/74/806270474.db2.gz ATJYOFNHSHJDBJ-CHWSQXEVSA-N 1 0 334.380 -0.132 20 5 EBBDRO O=C(COC1CC[NH+](C2CC2)CC1)N1CC([N+](=O)[O-])([N+](=O)[O-])C1 ZINC001224795592 811776667 /nfs/dbraw/zinc/77/66/67/811776667.db2.gz CAVBIIPMALIXOF-UHFFFAOYSA-N 1 0 328.325 -0.278 20 5 EBBDRO CC(C)[NH+]1CCC(OCC(=O)N2CC([N+](=O)[O-])([N+](=O)[O-])C2)CC1 ZINC001224797690 811776724 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ZINC001329432673 840917587 /nfs/dbraw/zinc/91/75/87/840917587.db2.gz GWMHTWMDVZLKNI-CYBMUJFWSA-N 1 0 344.368 -0.700 20 5 EBBDRO NC(=O)C[NH2+]CCCOC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001329778849 841015939 /nfs/dbraw/zinc/01/59/39/841015939.db2.gz KVEHLDQYZCIJPK-VXGBXAGGSA-N 1 0 328.369 -0.876 20 5 EBBDRO [NH3+][C@@]12CCC[C@H]1CN(C(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1)C2 ZINC001334720370 842121261 /nfs/dbraw/zinc/12/12/61/842121261.db2.gz GDGRXVQWSIJRMJ-IINYFYTJSA-N 1 0 336.352 -0.753 20 5 EBBDRO Cc1noc(C)c1C[NH2+]CCN(CCO)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001484482305 1126592205 /nfs/dbraw/zinc/59/22/05/1126592205.db2.gz JZYABPPULAWAKT-DGCLKSJQSA-N 1 0 326.353 -0.133 20 5 EBBDRO CCOCCC[NH+]1CC(N2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)C1 ZINC001484944801 1126655981 /nfs/dbraw/zinc/65/59/81/1126655981.db2.gz FEYUOZJFMCYETQ-HUUCEWRRSA-N 1 0 340.424 -0.093 20 5 EBBDRO CN(CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)C1(C[NH+](C)C)CC1 ZINC001492349273 1130636673 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CN(CC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1)c1ccccc1[N+](=O)[O-] ZINC000594885708 377966786 /nfs/dbraw/zinc/96/67/86/377966786.db2.gz CNVWHAGGONMSGQ-NWDGAFQWSA-N 1 0 347.375 -0.199 20 5 EBBDRO [NH3+][C@H]1C[C@@H]2CN(C(=O)COc3ccccc3[N+](=O)[O-])CCN2C1=O ZINC000594873629 377968530 /nfs/dbraw/zinc/96/85/30/377968530.db2.gz DJIDUFJZHYGREZ-MNOVXSKESA-N 1 0 334.332 -0.256 20 5 EBBDRO [NH3+][C@H]1C[C@H]2CN(C(=O)COc3ccccc3[N+](=O)[O-])CCN2C1=O ZINC000594873630 377969145 /nfs/dbraw/zinc/96/91/45/377969145.db2.gz DJIDUFJZHYGREZ-QWRGUYRKSA-N 1 0 334.332 -0.256 20 5 EBBDRO C[C@@H](O)C[NH+]1CCN(c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CC1 ZINC000596109895 378052413 /nfs/dbraw/zinc/05/24/13/378052413.db2.gz GHYWPLGYDNPDGS-SNVBAGLBSA-N 1 0 344.393 -0.255 20 5 EBBDRO NC(=O)C1([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCOCC1 ZINC000595727948 378025725 /nfs/dbraw/zinc/02/57/25/378025725.db2.gz GTDSRXFKSVNGAO-LBPRGKRZSA-N 1 0 339.348 -0.041 20 5 EBBDRO O=C(CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[NH2+]CC1 ZINC000598916247 378185038 /nfs/dbraw/zinc/18/50/38/378185038.db2.gz UNTXMUTXVUVZMH-UHFFFAOYSA-N 1 0 335.320 -0.919 20 5 EBBDRO O=[N+]([O-])c1c(NCC[N@H+]2CC[C@H](O)C2)ncnc1N1CCOCC1 ZINC000599199625 378206027 /nfs/dbraw/zinc/20/60/27/378206027.db2.gz NNCUIZOZFSJLLZ-NSHDSACASA-N 1 0 338.368 -0.300 20 5 EBBDRO CN1CC[NH2+]C[C@@H]1CNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000567580985 378158231 /nfs/dbraw/zinc/15/82/31/378158231.db2.gz JYOKZQLIMYHBCG-LLVKDONJSA-N 1 0 336.348 -0.001 20 5 EBBDRO C[NH+](C)CCC[C@H]1CN(C(=O)Cn2cnc([N+](=O)[O-])n2)CCO1 ZINC000598539439 378172813 /nfs/dbraw/zinc/17/28/13/378172813.db2.gz IPDOQTUHBORDLY-NSHDSACASA-N 1 0 326.357 -0.245 20 5 EBBDRO Cc1n[nH]c(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)c1[N+](=O)[O-] ZINC000341854603 378375873 /nfs/dbraw/zinc/37/58/73/378375873.db2.gz XDYVBBSUARMVBA-JTQLQIEISA-N 1 0 338.368 -0.056 20 5 EBBDRO CCS(=O)(=O)NCC[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000568431177 378383469 /nfs/dbraw/zinc/38/34/69/378383469.db2.gz CTSBOGIDUVBXHE-LBPRGKRZSA-N 1 0 347.393 -0.137 20 5 EBBDRO CCS(=O)(=O)NCC[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000568431176 378383541 /nfs/dbraw/zinc/38/35/41/378383541.db2.gz CTSBOGIDUVBXHE-GFCCVEGCSA-N 1 0 347.393 -0.137 20 5 EBBDRO Cc1cc(C(=O)NCC(=O)N2CCN(C)C[C@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000570716386 378513781 /nfs/dbraw/zinc/51/37/81/378513781.db2.gz IOABPXQEGIXJDP-CYBMUJFWSA-N 1 0 349.391 -0.266 20 5 EBBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@H](CO)Cc2cccnc2)c1 ZINC000570928213 378533220 /nfs/dbraw/zinc/53/32/20/378533220.db2.gz WIFVJIQCPTUWBI-UKRRQHHQSA-N 1 0 335.364 -0.012 20 5 EBBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C[C@@H](CO)Cc2cccnc2)c1 ZINC000570928214 378533391 /nfs/dbraw/zinc/53/33/91/378533391.db2.gz WIFVJIQCPTUWBI-ZFWWWQNUSA-N 1 0 335.364 -0.012 20 5 EBBDRO O=C(NC1CC1)N[C@@H]1CC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000274064886 379242411 /nfs/dbraw/zinc/24/24/11/379242411.db2.gz UHJPGHNDPMAYBC-YPMHNXCESA-N 1 0 338.368 -0.312 20 5 EBBDRO C[C@@H](NC(=O)C(=O)N1CCO[C@H](C[NH3+])C1)c1ccccc1[N+](=O)[O-] ZINC000419156809 379336779 /nfs/dbraw/zinc/33/67/79/379336779.db2.gz VPXDPFORYHXNKA-GHMZBOCLSA-N 1 0 336.348 -0.042 20 5 EBBDRO C[C@@H]1CCCN(C(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)[C@@H]1C[NH3+] ZINC000419469896 379341399 /nfs/dbraw/zinc/34/13/99/379341399.db2.gz XFKBTDWUYSQCBX-ZYHUDNBSSA-N 1 0 338.368 -0.507 20 5 EBBDRO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000419457902 379341813 /nfs/dbraw/zinc/34/18/13/379341813.db2.gz ATACOKXHIYCCPI-SNVBAGLBSA-N 1 0 326.357 -0.603 20 5 EBBDRO [NH3+]C[C@@H]1CN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)CCO1 ZINC000274784797 379459129 /nfs/dbraw/zinc/45/91/29/379459129.db2.gz MAGUYQXKZWHNEX-GFCCVEGCSA-N 1 0 332.320 -0.025 20 5 EBBDRO C[N@@H+]1CC[C@@](O)(CNC(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000351594065 379629708 /nfs/dbraw/zinc/62/97/08/379629708.db2.gz AWDPWMYUCQOGLK-CQSZACIVSA-N 1 0 340.311 -0.145 20 5 EBBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]CCN1CC[C@@H](O)C1 ZINC000600756202 379658300 /nfs/dbraw/zinc/65/83/00/379658300.db2.gz FTEWPQXCEBFYHK-CHWSQXEVSA-N 1 0 325.365 -0.009 20 5 EBBDRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000352692285 379683161 /nfs/dbraw/zinc/68/31/61/379683161.db2.gz GRYYJMIXCPJCDM-UHFFFAOYSA-N 1 0 338.368 -0.010 20 5 EBBDRO Cc1c(C(=O)N2CC[NH2+][C@@H](C)C2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000269202780 380248673 /nfs/dbraw/zinc/24/86/73/380248673.db2.gz KVBCEARALQYMRZ-QMMMGPOBSA-N 1 0 342.377 -0.015 20 5 EBBDRO C[C@@H]1CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC[N@@H+]1CC(C)(C)O ZINC000189892000 380915246 /nfs/dbraw/zinc/91/52/46/380915246.db2.gz FTEYSQITMKESGC-OCCSQVGLSA-N 1 0 341.412 -0.071 20 5 EBBDRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)c2c[nH]nc2[N+](=O)[O-])CC1 ZINC000580761878 381014457 /nfs/dbraw/zinc/01/44/57/381014457.db2.gz URDCJLQQBZTIGC-UHFFFAOYSA-N 1 0 336.352 -0.302 20 5 EBBDRO O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000581142521 381059215 /nfs/dbraw/zinc/05/92/15/381059215.db2.gz GCHIBIFBNVWJEU-QMMMGPOBSA-N 1 0 332.320 -0.435 20 5 EBBDRO COCCO[C@@H]1COCC[C@@H]1[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000581246979 381062871 /nfs/dbraw/zinc/06/28/71/381062871.db2.gz XTOSWIJRXIODHF-MELADBBJSA-N 1 0 344.368 -0.438 20 5 EBBDRO NC(=O)[C@@H]1CC[C@@H](C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)O1 ZINC000581365166 381069368 /nfs/dbraw/zinc/06/93/68/381069368.db2.gz HTHFCJQPEJDEQV-UBHSHLNASA-N 1 0 339.348 -0.043 20 5 EBBDRO NC(=O)COc1cccc(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000581938526 381120663 /nfs/dbraw/zinc/12/06/63/381120663.db2.gz GRPLCFAUPGDFRU-CYBMUJFWSA-N 1 0 349.347 -0.194 20 5 EBBDRO [NH3+][C@H]1C[C@H]2CN(C(=O)COc3ccc([N+](=O)[O-])cc3)CCN2C1=O ZINC000577412020 382048422 /nfs/dbraw/zinc/04/84/22/382048422.db2.gz NLJHFHAWSDHLSB-AAEUAGOBSA-N 1 0 334.332 -0.256 20 5 EBBDRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(c2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000301800447 155169153 /nfs/dbraw/zinc/16/91/53/155169153.db2.gz BXEIPBHNPAXIKI-SNVBAGLBSA-N 1 0 335.368 -0.115 20 5 EBBDRO [NH3+]C1(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000262177398 154217465 /nfs/dbraw/zinc/21/74/65/154217465.db2.gz YNJMDMJDBZITQS-UHFFFAOYSA-N 1 0 328.350 -0.519 20 5 EBBDRO O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(C(=O)[C@H]2C[C@@H](O)C[NH2+]2)CC1 ZINC000262455623 154231967 /nfs/dbraw/zinc/23/19/67/154231967.db2.gz FGNUSHGCJMDOKR-ZIAGYGMSSA-N 1 0 348.359 -0.398 20 5 EBBDRO [NH3+]CCCNC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000262499821 154235274 /nfs/dbraw/zinc/23/52/74/154235274.db2.gz AOKHQPSUPHMSCD-UHFFFAOYSA-N 1 0 330.366 -0.272 20 5 EBBDRO COc1cc(CCNC(=O)[C@H]2C[C@H](O)C[NH2+]2)c([N+](=O)[O-])cc1OC ZINC000269210000 154437804 /nfs/dbraw/zinc/43/78/04/154437804.db2.gz PCIHYVRTCHWBDG-WDEREUQCSA-N 1 0 339.348 -0.007 20 5 EBBDRO C[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000292128898 155028210 /nfs/dbraw/zinc/02/82/10/155028210.db2.gz IOFURDLAAFLLRY-PWSUYJOCSA-N 1 0 347.397 -0.882 20 5 EBBDRO NS(=O)(=O)c1cc([N+](=O)[O-])cc(N2CCC([NH2+]CCO)CC2)c1 ZINC000357452769 157146323 /nfs/dbraw/zinc/14/63/23/157146323.db2.gz IDGLCTUHCNNGMM-UHFFFAOYSA-N 1 0 344.393 -0.207 20 5 EBBDRO CN(C)CC[NH+]1CCC(CNC(=O)Cn2cnc([N+](=O)[O-])n2)CC1 ZINC000358016469 157199792 /nfs/dbraw/zinc/19/97/92/157199792.db2.gz SNLRBJCSZMMUMF-UHFFFAOYSA-N 1 0 339.400 -0.424 20 5 EBBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000377514406 157696771 /nfs/dbraw/zinc/69/67/71/157696771.db2.gz YQHRTQVOLJRWBN-OLZOCXBDSA-N 1 0 336.348 -0.264 20 5 EBBDRO C[C@@H](NC(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+])c1ccccc1[N+](=O)[O-] ZINC000516856918 419091180 /nfs/dbraw/zinc/09/11/80/419091180.db2.gz LABKHXKJJYEWQR-VXGBXAGGSA-N 1 0 349.391 -0.127 20 5 EBBDRO NC(=O)[C@@]1([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CCOC1 ZINC000514611846 419060832 /nfs/dbraw/zinc/06/08/32/419060832.db2.gz MAHASPWFRIARAQ-IINYFYTJSA-N 1 0 325.321 -0.432 20 5 EBBDRO CN1CCO[C@H](C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000530810854 420926703 /nfs/dbraw/zinc/92/67/03/420926703.db2.gz DTLQUAOPQWGFPI-ZDUSSCGKSA-N 1 0 335.364 -0.031 20 5 EBBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@@](C)(O)CN1CCOCC1 ZINC000530719945 420926916 /nfs/dbraw/zinc/92/69/16/420926916.db2.gz SLJRZJNWVBMBHE-CQSZACIVSA-N 1 0 326.353 -0.254 20 5 EBBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1C[C@@H](O)[C@H](O)C1 ZINC000278729418 420938087 /nfs/dbraw/zinc/93/80/87/420938087.db2.gz LBAXXNGCLXYRRV-VXGBXAGGSA-N 1 0 325.321 -0.031 20 5 EBBDRO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000494715847 420943810 /nfs/dbraw/zinc/94/38/10/420943810.db2.gz ASZAUOYXOHCKSE-PWSUYJOCSA-N 1 0 347.397 -0.834 20 5 EBBDRO COC(=O)[C@H]1CN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC[N@H+](C)C1 ZINC000413895644 264776862 /nfs/dbraw/zinc/77/68/62/264776862.db2.gz FICIUSLOOGIUGI-SNVBAGLBSA-N 1 0 338.320 -0.128 20 5 EBBDRO [NH3+]CCNC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000417337489 264812453 /nfs/dbraw/zinc/81/24/53/264812453.db2.gz IYKIEJVUWSXKCW-UHFFFAOYSA-N 1 0 331.354 -0.869 20 5 EBBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000418919409 264839557 /nfs/dbraw/zinc/83/95/57/264839557.db2.gz FQQVJHTXCYYMQX-BETUJISGSA-N 1 0 332.360 -0.069 20 5 EBBDRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000423650584 265025973 /nfs/dbraw/zinc/02/59/73/265025973.db2.gz RCCSDUMQQFNZDP-UWVGGRQHSA-N 1 0 342.377 -0.179 20 5 EBBDRO [NH3+]CCCNC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000428468277 265124899 /nfs/dbraw/zinc/12/48/99/265124899.db2.gz DJUOLZJNMSUWLF-UHFFFAOYSA-N 1 0 330.366 -0.272 20 5 EBBDRO C[C@H](C[NH3+])CNC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000441626187 265308722 /nfs/dbraw/zinc/30/87/22/265308722.db2.gz XGKPBJWCMHYFMI-SNVBAGLBSA-N 1 0 344.393 -0.026 20 5 EBBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000449696166 265394496 /nfs/dbraw/zinc/39/44/96/265394496.db2.gz JRUFPOCMBOCANE-SMDDNHRTSA-N 1 0 349.391 -0.267 20 5 EBBDRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000488047988 272858455 /nfs/dbraw/zinc/85/84/55/272858455.db2.gz XSOZDKMSDVWWFV-NSHDSACASA-N 1 0 338.368 -0.102 20 5 EBBDRO O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1N1CCC[N@@H+](CCO)CC1 ZINC000823620006 583834940 /nfs/dbraw/zinc/83/49/40/583834940.db2.gz FZVKELKAWDTWBH-UHFFFAOYSA-N 1 0 334.340 -0.326 20 5 EBBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@H](CO)CN2CCOCC2)cc1 ZINC000843113395 584071264 /nfs/dbraw/zinc/07/12/64/584071264.db2.gz NTUOCWGFMHCJQX-DZGCQCFKSA-N 1 0 325.365 -0.089 20 5 EBBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@@H](CO)CN2CCOCC2)cc1 ZINC000843113397 584071325 /nfs/dbraw/zinc/07/13/25/584071325.db2.gz NTUOCWGFMHCJQX-UKRRQHHQSA-N 1 0 325.365 -0.089 20 5 EBBDRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000844037263 584086661 /nfs/dbraw/zinc/08/66/61/584086661.db2.gz UGLPVJUHQLHEPS-SECBINFHSA-N 1 0 336.352 -0.236 20 5 EBBDRO C[NH+](C)C[C@@H](CO)NC(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000854467637 584241022 /nfs/dbraw/zinc/24/10/22/584241022.db2.gz WRWSFNJLAFOCHF-NSHDSACASA-N 1 0 325.321 -0.175 20 5 EBBDRO C[C@H]([NH3+])CN(C)C(=O)C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000861752614 584337555 /nfs/dbraw/zinc/33/75/55/584337555.db2.gz GSSONDRTQLQPQW-QMMMGPOBSA-N 1 0 334.336 -0.107 20 5 EBBDRO CN(C)S(=O)(=O)N1CC([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000863587394 584374133 /nfs/dbraw/zinc/37/41/33/584374133.db2.gz MKYGRBFMNXXDFT-ZDUSSCGKSA-N 1 0 344.393 -0.292 20 5 EBBDRO CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC000954240062 719629115 /nfs/dbraw/zinc/62/91/15/719629115.db2.gz KTAQFYOJWAZILY-CHWSQXEVSA-N 1 0 336.392 -0.051 20 5 EBBDRO Cn1cc(C[NH2+]C2CC3(CC(NC(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C3)C2)nn1 ZINC000963791877 723487511 /nfs/dbraw/zinc/48/75/11/723487511.db2.gz SUJFHELKPKIVHS-KYWUDAINSA-N 1 0 334.380 -0.003 20 5 EBBDRO CC1(C)CC[N@H+](CC(=O)N2CC(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 ZINC001001802773 726624459 /nfs/dbraw/zinc/62/44/59/726624459.db2.gz NKVNYEJRYZNZSN-CHWSQXEVSA-N 1 0 338.408 -0.042 20 5 EBBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1C[C@H](NC(=O)c2nccnc2N)C1 ZINC001020037334 729060404 /nfs/dbraw/zinc/06/04/04/729060404.db2.gz QWCMWDUZZPNGOX-KYZUINATSA-N 1 0 346.351 -0.249 20 5 EBBDRO Cc1nn[nH]c1C(=O)N[C@H]1C[C@H]([NH2+]Cc2c([N+](=O)[O-])ncn2C)C1 ZINC001020457127 729174695 /nfs/dbraw/zinc/17/46/95/729174695.db2.gz HCPWSRNMMANVGP-KYZUINATSA-N 1 0 334.340 -0.195 20 5 EBBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1C[C@H](NC(=O)Cn2ccnc2)C1 ZINC001021126145 729284980 /nfs/dbraw/zinc/28/49/80/729284980.db2.gz GRKUTGLAHKWVRO-XYPYZODXSA-N 1 0 333.352 -0.038 20 5 EBBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1C[C@@H](NC(=O)Cn2cncn2)C1 ZINC001023059033 729588563 /nfs/dbraw/zinc/58/85/63/729588563.db2.gz AOIJCGFUIVZXKT-AOOOYVTPSA-N 1 0 334.340 -0.643 20 5 EBBDRO C[NH+](C)CCCCC(=O)N1CC(O)(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001042976870 732694980 /nfs/dbraw/zinc/69/49/80/732694980.db2.gz YAQJHTUAZWQKNF-VXGBXAGGSA-N 1 0 342.396 -0.927 20 5 EBBDRO CC[N@H+](C)C(C)(C)C(=O)NCC1(O)CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001043613749 733024203 /nfs/dbraw/zinc/02/42/03/733024203.db2.gz WZSPVPPUHUOKOH-GHMZBOCLSA-N 1 0 342.396 -0.929 20 5 EBBDRO O=C(N[C@H]1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000979061200 805115042 /nfs/dbraw/zinc/11/50/42/805115042.db2.gz UCPWWJRWUWVSMN-YVECIDJPSA-N 1 0 336.392 -0.242 20 5 EBBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]C[C@H]1C[C@H](NC(=O)Cc2nc[nH]n2)C1 ZINC000985019250 807426563 /nfs/dbraw/zinc/42/65/63/807426563.db2.gz DLKAMLMBIYRPQZ-MGCOHNPYSA-N 1 0 348.367 -0.327 20 5 EBBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC2(C[NH+](CCn3cncn3)C2)CC1 ZINC001035707581 810996982 /nfs/dbraw/zinc/99/69/82/810996982.db2.gz PDTSPNUNEUDUER-CHWSQXEVSA-N 1 0 334.380 -0.132 20 5 EBBDRO CS(=O)(=O)NCC[NH+]1CCC(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001223114181 811682179 /nfs/dbraw/zinc/68/21/79/811682179.db2.gz JWEIASOVYPOFFG-VXGBXAGGSA-N 1 0 348.425 -0.971 20 5 EBBDRO CN(CC[NH2+]Cc1c([N+](=O)[O-])ncn1C)C(=O)c1ccc(=O)n(C)c1 ZINC001266759935 813663537 /nfs/dbraw/zinc/66/35/37/813663537.db2.gz NVEWPWYBHDPOPX-UHFFFAOYSA-N 1 0 348.363 -0.111 20 5 EBBDRO COc1cncc(C(=O)N(C)CC[NH2+]Cc2c([N+](=O)[O-])ncn2C)n1 ZINC001266854642 813684776 /nfs/dbraw/zinc/68/47/76/813684776.db2.gz WWAOMDLYVLWMTA-UHFFFAOYSA-N 1 0 349.351 -0.011 20 5 EBBDRO CNS(=O)(=O)CC(=O)N(C)CC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001267091155 813756416 /nfs/dbraw/zinc/75/64/16/813756416.db2.gz YKDZTLFSYTVRFD-UHFFFAOYSA-N 1 0 344.393 -0.308 20 5 EBBDRO CN(CC[NH2+]Cc1c([N+](=O)[O-])ncn1C)C(=O)CCn1cncn1 ZINC001267349100 813855346 /nfs/dbraw/zinc/85/53/46/813855346.db2.gz PTTCYWZSVCOTJP-UHFFFAOYSA-N 1 0 336.356 -0.442 20 5 EBBDRO O=C(NC[C@H]1C[C@@H]([NH2+]CCN2CCNC2=O)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001086083174 816224768 /nfs/dbraw/zinc/22/47/68/816224768.db2.gz QFWVMXMIZVWYTN-WRWGMCAJSA-N 1 0 325.369 -0.839 20 5 EBBDRO C[NH+](C)CCOCC(=O)NCCNc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC001093750188 818094715 /nfs/dbraw/zinc/09/47/15/818094715.db2.gz OQAPSBYNZFOQGU-UHFFFAOYSA-N 1 0 327.341 -0.198 20 5 EBBDRO CCOCC[N@H+](CCO)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001098364948 819151601 /nfs/dbraw/zinc/15/16/01/819151601.db2.gz FXDQGGZPRFLKAD-ZIAGYGMSSA-N 1 0 329.397 -0.027 20 5 EBBDRO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCN(C)CCN(C)CC2)n1 ZINC001309893416 821782864 /nfs/dbraw/zinc/78/28/64/821782864.db2.gz OGAJTICYKYDTOJ-UHFFFAOYSA-N 1 0 346.413 -0.804 20 5 EBBDRO C[N@@H+]1CCCN(CCCNC(=O)Cn2cnc([N+](=O)[O-])n2)CC1 ZINC001318489669 822327906 /nfs/dbraw/zinc/32/79/06/822327906.db2.gz FHSWQZDSMWCNRP-UHFFFAOYSA-N 1 0 325.373 -0.670 20 5 EBBDRO CCS(=O)(=O)NCC(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001128594659 828481253 /nfs/dbraw/zinc/48/12/53/828481253.db2.gz JLMFAMYTSSAOHQ-UHFFFAOYSA-N 1 0 344.393 -0.260 20 5 EBBDRO COCC[NH2+]C1CCN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CC1 ZINC001118806814 827000570 /nfs/dbraw/zinc/00/05/70/827000570.db2.gz AQNBWXGZCSBBHU-UHFFFAOYSA-N 1 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ZINC001150344396 830869491 /nfs/dbraw/zinc/86/94/91/830869491.db2.gz BOQRWSVHEQBKOS-UHFFFAOYSA-N 1 0 341.349 -0.586 20 5 EBBDRO O=[N+]([O-])c1c(N[C@@H]2C=CS(=O)(=O)C2)ncnc1N1CC[NH2+]CC1 ZINC001156061966 831451058 /nfs/dbraw/zinc/45/10/58/831451058.db2.gz UMPUTICMTLSTQZ-SECBINFHSA-N 1 0 340.365 -0.483 20 5 EBBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCCNC(=O)C(C)(C)C(N)=O ZINC001160402888 831845051 /nfs/dbraw/zinc/84/50/51/831845051.db2.gz GSRDLGCFZFIJRH-UHFFFAOYSA-N 1 0 326.357 -0.564 20 5 EBBDRO COC(=O)c1nc(Cl)nc(-n2cc(C[NH3+])cnc2=N)c1[N+](=O)[O-] ZINC001161415594 831955984 /nfs/dbraw/zinc/95/59/84/831955984.db2.gz VAXMCWUMKONGDT-UHFFFAOYSA-N 1 0 339.699 -0.051 20 5 EBBDRO CCOC(=O)c1cnc(N(C)S(=O)(=O)CC[NH3+])c([N+](=O)[O-])c1 ZINC001164288573 832180923 /nfs/dbraw/zinc/18/09/23/832180923.db2.gz RDVGHJPMGIZCPQ-UHFFFAOYSA-N 1 0 332.338 -0.109 20 5 EBBDRO CN(C)C(=O)C1CN(c2ncnc(N3CC[NH2+]CC3)c2[N+](=O)[O-])C1 ZINC001166738147 832287079 /nfs/dbraw/zinc/28/70/79/832287079.db2.gz IVCRWKWRHZDXRK-UHFFFAOYSA-N 1 0 335.368 -0.681 20 5 EBBDRO O=C1CC[C@@H]2CN(c3ncnc(N4CC[NH2+]CC4)c3[N+](=O)[O-])CCN12 ZINC001166955476 832303328 /nfs/dbraw/zinc/30/33/28/832303328.db2.gz KMKBNCNONYUNGY-LLVKDONJSA-N 1 0 347.379 -0.395 20 5 EBBDRO CNS(=O)(=O)CC(=O)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001176336045 832667537 /nfs/dbraw/zinc/66/75/37/832667537.db2.gz JAUWLNJWXGAYNF-UHFFFAOYSA-N 1 0 344.393 -0.260 20 5 EBBDRO CC(=O)NCCOCC[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001200471739 835971683 /nfs/dbraw/zinc/97/16/83/835971683.db2.gz IUIWFKPNQWQUTI-ZIAGYGMSSA-N 1 0 342.396 -0.615 20 5 EBBDRO COCC(=O)NC1CC[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC001318853875 838041338 /nfs/dbraw/zinc/04/13/38/838041338.db2.gz PTGLUQVILHFXJE-ZDUSSCGKSA-N 1 0 341.368 -0.621 20 5 EBBDRO O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)c1[nH]ncc1[N+](=O)[O-] ZINC001319612237 838157423 /nfs/dbraw/zinc/15/74/23/838157423.db2.gz PPWZTVSWCKYVIB-LLVKDONJSA-N 1 0 338.368 -0.546 20 5 EBBDRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C1 ZINC001321617631 839033706 /nfs/dbraw/zinc/03/37/06/839033706.db2.gz BMADBSBWZKWGKN-HNNXBMFYSA-N 1 0 338.364 -0.328 20 5 EBBDRO C[NH+](C)C1(CNC(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)CCC1 ZINC001323027009 839326615 /nfs/dbraw/zinc/32/66/15/839326615.db2.gz OMOYGNRKZMHPED-UHFFFAOYSA-N 1 0 338.368 -0.492 20 5 EBBDRO COCC(=O)NC1CC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC001323113084 839353717 /nfs/dbraw/zinc/35/37/17/839353717.db2.gz BDBXABWSKZIWMK-UHFFFAOYSA-N 1 0 338.364 -0.017 20 5 EBBDRO CS(=O)(=O)N1CC[C@@H](C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC001325844404 839954382 /nfs/dbraw/zinc/95/43/82/839954382.db2.gz STVMTXXTNGTDEY-CMPLNLGQSA-N 1 0 347.397 -0.977 20 5 EBBDRO CS(=O)(=O)c1cc(C(=O)N2CCO[C@@H](C[NH3+])C2)cc([N+](=O)[O-])c1 ZINC001326376248 840094740 /nfs/dbraw/zinc/09/47/40/840094740.db2.gz SMELZHIWBHTUHB-NSHDSACASA-N 1 0 343.361 -0.202 20 5 EBBDRO CS(=O)(=O)C1(C(=O)NCCn2cc([N+](=O)[O-])cn2)CC[NH2+]CC1 ZINC001326677389 840172860 /nfs/dbraw/zinc/17/28/60/840172860.db2.gz QBXYUOFMPALBTF-UHFFFAOYSA-N 1 0 345.381 -0.926 20 5 EBBDRO O=C(C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCC1)Nc1cnccn1 ZINC001326823779 840210965 /nfs/dbraw/zinc/21/09/65/840210965.db2.gz YVSUCJSFDITYMF-GHMZBOCLSA-N 1 0 348.363 -0.291 20 5 EBBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C2CCN([C@H]3CCOC3)CC2)c1 ZINC001327958570 840557785 /nfs/dbraw/zinc/55/77/85/840557785.db2.gz WLACXJXVSWELBX-ZFWWWQNUSA-N 1 0 339.396 -0.005 20 5 EBBDRO C[C@]1(CO)C[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@]1(C)CO ZINC001331480443 841414496 /nfs/dbraw/zinc/41/44/96/841414496.db2.gz IFLXFNRAQZPSOB-MELADBBJSA-N 1 0 328.369 -0.535 20 5 EBBDRO CNC(=O)NC(=O)CN(C)CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(C)C ZINC001332706456 841722685 /nfs/dbraw/zinc/72/26/85/841722685.db2.gz DQPVZOVTVVMAPJ-GHMZBOCLSA-N 1 0 343.384 -0.724 20 5 EBBDRO C[NH+](C)CCNC(=O)C1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC001336555578 842493050 /nfs/dbraw/zinc/49/30/50/842493050.db2.gz DHOGSTYFFNKPBW-UHFFFAOYSA-N 1 0 338.368 -0.152 20 5 EBBDRO C[C@@H]1C[C@H](NC(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)CC[N@@H+]1C ZINC001346275879 843496207 /nfs/dbraw/zinc/49/62/07/843496207.db2.gz GFXBNJDVXYXGOU-GHMZBOCLSA-N 1 0 338.368 -0.494 20 5 EBBDRO CN(CC[NH2+]Cc1c([N+](=O)[O-])ncn1C)C(=O)c1ccn(C)c(=O)c1 ZINC001691366469 1125854205 /nfs/dbraw/zinc/85/42/05/1125854205.db2.gz OVMBPCLTXFJNDT-UHFFFAOYSA-N 1 0 348.363 -0.111 20 5 EBBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N(CCO)CC[NH2+]Cc1ccc2nonc2c1 ZINC001484482538 1126592251 /nfs/dbraw/zinc/59/22/51/1126592251.db2.gz OVOCDHVTCZRRKM-BXUZGUMPSA-N 1 0 349.347 -0.202 20 5 EBBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]C1(CNC(=O)c2cnnn2C)CCC1 ZINC001484633004 1126612141 /nfs/dbraw/zinc/61/21/41/1126612141.db2.gz WGXPNUACYWDGLC-UHFFFAOYSA-N 1 0 348.367 -0.101 20 5 EBBDRO O=C(NCC[N@H+]1CC=C(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)C1CC1 ZINC001486506526 1127191145 /nfs/dbraw/zinc/19/11/45/1127191145.db2.gz OVPQHGOOZMEHIF-ZIAGYGMSSA-N 1 0 336.392 -0.074 20 5 EBBDRO CCC[N@H+](C)CC(=O)N1CCN(c2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC001093170104 1128302655 /nfs/dbraw/zinc/30/26/55/1128302655.db2.gz FABSDIRZFJJXTI-UHFFFAOYSA-N 1 0 337.384 -0.043 20 5 EBBDRO COc1ccc(S(=O)(=O)N2CCN(C)C[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000321398563 375902304 /nfs/dbraw/zinc/90/23/04/375902304.db2.gz HNVGMWPIVLSKRE-SNVBAGLBSA-N 1 0 344.393 -0.133 20 5 EBBDRO Cn1cc(N2CC[C@@H]([NH2+]C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2=O)cn1 ZINC000562996411 377069867 /nfs/dbraw/zinc/06/98/67/377069867.db2.gz PWLSOMICFVNPQW-CHWSQXEVSA-N 1 0 349.351 -0.719 20 5 EBBDRO COC[C@@H](O)C[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000566110348 377484531 /nfs/dbraw/zinc/48/45/31/377484531.db2.gz ZPROSHQOKGCBPG-NSHDSACASA-N 1 0 333.366 -0.530 20 5 EBBDRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1c1ncc([N+](=O)[O-])cc1C(N)=O ZINC000591982635 377777806 /nfs/dbraw/zinc/77/78/06/377777806.db2.gz NTTXCHSJHLMORZ-VIFPVBQESA-N 1 0 336.352 -0.355 20 5 EBBDRO CC(C)[NH2+]CC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000595253285 377983777 /nfs/dbraw/zinc/98/37/77/377983777.db2.gz IQJLCVIKHDJGJC-UHFFFAOYSA-N 1 0 344.393 -0.013 20 5 EBBDRO [NH3+]CCN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C[C@@H](O)CO ZINC000595901150 378034387 /nfs/dbraw/zinc/03/43/87/378034387.db2.gz BPAGTTDPCVGKKS-CYBMUJFWSA-N 1 0 326.353 -0.463 20 5 EBBDRO C[C@H](O)C[NH+]1CCN(c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CC1 ZINC000596109894 378052537 /nfs/dbraw/zinc/05/25/37/378052537.db2.gz GHYWPLGYDNPDGS-JTQLQIEISA-N 1 0 344.393 -0.255 20 5 EBBDRO CN(CCC[NH+](C)C)CCNC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000597990559 378146047 /nfs/dbraw/zinc/14/60/47/378146047.db2.gz YRRYPACYZHZHRB-UHFFFAOYSA-N 1 0 339.396 -0.244 20 5 EBBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@@H]2CCCN(CCCO)C2)c1 ZINC000567899328 378272440 /nfs/dbraw/zinc/27/24/40/378272440.db2.gz YBJIGLKSJUUXHC-OCCSQVGLSA-N 1 0 327.385 -0.411 20 5 EBBDRO C[NH2+]CCOCCNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000599897765 378282541 /nfs/dbraw/zinc/28/25/41/378282541.db2.gz WSNJHZKFYQPHNC-UHFFFAOYSA-N 1 0 340.336 -0.106 20 5 EBBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000571179951 378548291 /nfs/dbraw/zinc/54/82/91/378548291.db2.gz ZIENDJWDHJZQKZ-CMPLNLGQSA-N 1 0 334.332 -0.013 20 5 EBBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]C[C@H](O)Cn2ccnn2)c1 ZINC000571523996 378553048 /nfs/dbraw/zinc/55/30/48/378553048.db2.gz PLWCBGNXYRXFMC-STQMWFEESA-N 1 0 337.336 -0.423 20 5 EBBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000418871474 379335177 /nfs/dbraw/zinc/33/51/77/379335177.db2.gz QWRBRGFHXCKSMR-BETUJISGSA-N 1 0 332.360 -0.069 20 5 EBBDRO CCCC[C@H](C[NH3+])NC(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000419462121 379341889 /nfs/dbraw/zinc/34/18/89/379341889.db2.gz JAEYCNNWXUKKDA-SNVBAGLBSA-N 1 0 326.357 -0.459 20 5 EBBDRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000419459944 379341967 /nfs/dbraw/zinc/34/19/67/379341967.db2.gz DUPAYEAXRSKGKZ-JQWIXIFHSA-N 1 0 338.368 -0.364 20 5 EBBDRO C[C@@H]1[C@H](N2CCOCC2)CC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000351982127 379650982 /nfs/dbraw/zinc/65/09/82/379650982.db2.gz MXPJFKMDKWLNQM-BPLDGKMQSA-N 1 0 339.396 -0.053 20 5 EBBDRO Cn1cc(CN2CCN(C(=O)N3CC[NH2+]CC3)CC2)c([N+](=O)[O-])n1 ZINC000603428363 379686086 /nfs/dbraw/zinc/68/60/86/379686086.db2.gz JCRXJVUHRXKFTB-UHFFFAOYSA-N 1 0 337.384 -0.529 20 5 EBBDRO C[C@@](O)(CNC(=O)c1c(N)cccc1[N+](=O)[O-])CN1CCOCC1 ZINC000354383970 379708642 /nfs/dbraw/zinc/70/86/42/379708642.db2.gz DEVJYAJXLLNMIW-OAHLLOKOSA-N 1 0 338.364 -0.010 20 5 EBBDRO Cc1c(C(=O)N2CCC[NH2+]CC2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000269130520 380221285 /nfs/dbraw/zinc/22/12/85/380221285.db2.gz OHOOVFJSMIMKMU-UHFFFAOYSA-N 1 0 342.377 -0.014 20 5 EBBDRO Cc1c(C(=O)N(C)[C@H]2CC[NH2+]C2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000269150006 380227297 /nfs/dbraw/zinc/22/72/97/380227297.db2.gz NWADDBQTZVINMZ-VIFPVBQESA-N 1 0 342.377 -0.015 20 5 EBBDRO CS(=O)(=O)C1(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCC1 ZINC000574512888 380781598 /nfs/dbraw/zinc/78/15/98/380781598.db2.gz ZJEIOBQBQJRDSS-LLVKDONJSA-N 1 0 332.382 -0.291 20 5 EBBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1nc(N2CC[NH2+]CC2)n[nH]1 ZINC000574569555 380797508 /nfs/dbraw/zinc/79/75/08/380797508.db2.gz UROXLLJBQGHEHZ-UHFFFAOYSA-N 1 0 335.328 -0.734 20 5 EBBDRO NS(=O)(=O)c1ccc([N+](=O)[O-])cc1N1CCC[N@H+](CCO)CC1 ZINC000272930602 380921413 /nfs/dbraw/zinc/92/14/13/380921413.db2.gz SMOSUNZBCVIFCF-UHFFFAOYSA-N 1 0 344.393 -0.253 20 5 EBBDRO Cc1ccc(NCCCNC(=O)C(=O)NC2C[NH2+]C2)c([N+](=O)[O-])c1 ZINC000582596531 381053050 /nfs/dbraw/zinc/05/30/50/381053050.db2.gz SROLLDLBHROBIY-UHFFFAOYSA-N 1 0 335.364 -0.091 20 5 EBBDRO CN1CCN(C(=O)C(=O)NCCc2ccc([N+](=O)[O-])cc2)[C@H](C[NH3+])C1 ZINC000581874430 381103053 /nfs/dbraw/zinc/10/30/53/381103053.db2.gz QKPWXKDKARFEEW-CQSZACIVSA-N 1 0 349.391 -0.645 20 5 EBBDRO Cc1nn(CCC(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)c(C)c1[N+](=O)[O-] ZINC000552437261 381156312 /nfs/dbraw/zinc/15/63/12/381156312.db2.gz SOLAPAAMKAOXAE-RYUDHWBXSA-N 1 0 325.369 -0.068 20 5 EBBDRO C[C@@H](C[NH3+])NC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000347676971 381638828 /nfs/dbraw/zinc/63/88/28/381638828.db2.gz ICRRHVMAUQPDHR-VIFPVBQESA-N 1 0 330.366 -0.273 20 5 EBBDRO NS(=O)(=O)c1cc([N+](=O)[O-])cc(N2CC[NH+](CCCO)CC2)c1 ZINC000270203130 381782657 /nfs/dbraw/zinc/78/26/57/381782657.db2.gz DTYWGKYJPPCOCK-UHFFFAOYSA-N 1 0 344.393 -0.253 20 5 EBBDRO [NH3+][C@H]1C[C@@H]2CN(C(=O)COc3ccc([N+](=O)[O-])cc3)CCN2C1=O ZINC000577412026 382047753 /nfs/dbraw/zinc/04/77/53/382047753.db2.gz NLJHFHAWSDHLSB-YPMHNXCESA-N 1 0 334.332 -0.256 20 5 EBBDRO C[C@@H](O)C[N@@H+]1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C[C@H]1C ZINC000174316273 154104984 /nfs/dbraw/zinc/10/49/84/154104984.db2.gz OANFBAYPHDUFCY-VXGBXAGGSA-N 1 0 338.364 -0.330 20 5 EBBDRO C[C@H](O)C[N@@H+]1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C[C@H]1C ZINC000246753957 154184535 /nfs/dbraw/zinc/18/45/35/154184535.db2.gz OANFBAYPHDUFCY-NEPJUHHUSA-N 1 0 338.364 -0.330 20 5 EBBDRO O=[N+]([O-])c1cccc(S(=O)(=O)NCCNC2=[NH+]CCCN2)c1 ZINC000261884169 154203329 /nfs/dbraw/zinc/20/33/29/154203329.db2.gz RPCVVLKQJXNMKA-UHFFFAOYSA-N 1 0 327.366 -0.188 20 5 EBBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000262340475 154224291 /nfs/dbraw/zinc/22/42/91/154224291.db2.gz TTWPKBXKLVAFIZ-NDMJEZRESA-N 1 0 336.348 -0.590 20 5 EBBDRO CC(C)([NH3+])C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000262489674 154232974 /nfs/dbraw/zinc/23/29/74/154232974.db2.gz WIRFTWRUZQWHRE-UHFFFAOYSA-N 1 0 330.366 -0.273 20 5 EBBDRO C[C@@H]([NH3+])[C@@H](C)C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000262522903 154235079 /nfs/dbraw/zinc/23/50/79/154235079.db2.gz JHZCQMHKKLQRDS-NXEZZACHSA-N 1 0 344.393 -0.027 20 5 EBBDRO C[C@@H](C[NH3+])C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000262617172 154239274 /nfs/dbraw/zinc/23/92/74/154239274.db2.gz ZFVMHAJVMOBPIF-VIFPVBQESA-N 1 0 330.366 -0.416 20 5 EBBDRO C[NH2+]C[C@H](C)C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000262609800 154239327 /nfs/dbraw/zinc/23/93/27/154239327.db2.gz ITDSQTUJFVNZER-JTQLQIEISA-N 1 0 344.393 -0.155 20 5 EBBDRO C[NH2+]CC(=O)NCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000262612714 154239370 /nfs/dbraw/zinc/23/93/70/154239370.db2.gz DTPOEOTUQQPNEB-UHFFFAOYSA-N 1 0 330.366 -0.254 20 5 EBBDRO CCc1[nH]nc(C(=O)N2CCN(C(=O)C[NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000264623018 154288469 /nfs/dbraw/zinc/28/84/69/154288469.db2.gz UWKKCTXAUDZKCX-UHFFFAOYSA-N 1 0 338.368 -0.274 20 5 EBBDRO [NH3+]C[C@H]1CN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)CCO1 ZINC000274784798 154623463 /nfs/dbraw/zinc/62/34/63/154623463.db2.gz MAGUYQXKZWHNEX-LBPRGKRZSA-N 1 0 332.320 -0.025 20 5 EBBDRO C[N@@H+]1CC[C@@](O)(CNc2cccc(S(N)(=O)=O)c2[N+](=O)[O-])C1 ZINC000358306911 157232318 /nfs/dbraw/zinc/23/23/18/157232318.db2.gz NNAVDNKYWLMUPU-GFCCVEGCSA-N 1 0 330.366 -0.279 20 5 EBBDRO C[N@@H+]1CC[C@@](O)(CNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000358331586 157234032 /nfs/dbraw/zinc/23/40/32/157234032.db2.gz RHBINIRPGJSDNB-GFCCVEGCSA-N 1 0 330.366 -0.279 20 5 EBBDRO COC(=O)c1cc(C)nc(N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)c1[N+](=O)[O-] ZINC000520610844 419802630 /nfs/dbraw/zinc/80/26/30/419802630.db2.gz AWAKYNGZZDGLPI-KOLCDFICSA-N 1 0 349.347 -0.167 20 5 EBBDRO CNc1nccc(C(=O)NC[C@H](C)N2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000569471301 421221023 /nfs/dbraw/zinc/22/10/23/421221023.db2.gz SHHDDZCRSVZPOF-NSHDSACASA-N 1 0 336.396 0.397 20 5 EBBDRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000419459941 264868581 /nfs/dbraw/zinc/86/85/81/264868581.db2.gz DUPAYEAXRSKGKZ-CMPLNLGQSA-N 1 0 338.368 -0.364 20 5 EBBDRO C[NH2+]CCN(C)C(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000423528363 265008280 /nfs/dbraw/zinc/00/82/80/265008280.db2.gz WLJLZROWPZRJEY-UHFFFAOYSA-N 1 0 330.366 -0.449 20 5 EBBDRO C[C@@H]1CN(C(=O)C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)C[C@@H]1[NH3+] ZINC000423567448 265012884 /nfs/dbraw/zinc/01/28/84/265012884.db2.gz CWSXCUJCXKYFMV-YGRLFVJLSA-N 1 0 348.359 -0.010 20 5 EBBDRO C[NH2+]CCCNC(=O)c1cc(S(N)(=O)=O)cc([N+](=O)[O-])c1C ZINC000428141380 265119439 /nfs/dbraw/zinc/11/94/39/265119439.db2.gz PJOFLAWVTDXGNI-UHFFFAOYSA-N 1 0 330.366 -0.110 20 5 EBBDRO Cc1c(C(=O)N2CC[C@H]([NH3+])C2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000429074786 265131534 /nfs/dbraw/zinc/13/15/34/265131534.db2.gz IBSRTZLWYHZVDN-QMMMGPOBSA-N 1 0 328.350 -0.276 20 5 EBBDRO NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000277785813 303330703 /nfs/dbraw/zinc/33/07/03/303330703.db2.gz USJGBEQPABSUDY-SNVBAGLBSA-N 1 0 337.336 -0.235 20 5 EBBDRO CNS(=O)(=O)c1ccc(N2CCC([NH3+])(CO)CC2)c([N+](=O)[O-])c1 ZINC000733895870 582868063 /nfs/dbraw/zinc/86/80/63/582868063.db2.gz OEPFFCYMTBXEBQ-UHFFFAOYSA-N 1 0 344.393 -0.207 20 5 EBBDRO C[C@H](O)C[NH+]1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 ZINC000736146593 582920373 /nfs/dbraw/zinc/92/03/73/582920373.db2.gz IOAQNWBTGBWCEQ-VIFPVBQESA-N 1 0 334.340 -0.327 20 5 EBBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H](O)C[NH+](C)C ZINC000361086231 584699404 /nfs/dbraw/zinc/69/94/04/584699404.db2.gz MTIHTYPDYCFROF-SNVBAGLBSA-N 1 0 340.336 -0.419 20 5 EBBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCOC2(CC[NH+](CCCO)CC2)C1 ZINC000949092373 653594622 /nfs/dbraw/zinc/59/46/22/653594622.db2.gz WNFYBGHDIGWKEB-CHWSQXEVSA-N 1 0 327.381 -0.273 20 5 EBBDRO COCC[N@@H+]1CCOC2(CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)C1 ZINC000949365866 653873934 /nfs/dbraw/zinc/87/39/34/653873934.db2.gz JUPFNYDCOFRDMD-CHWSQXEVSA-N 1 0 327.381 -0.009 20 5 EBBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]C1CCN(C(=O)Cn2ncnn2)CC1 ZINC000996534251 726412639 /nfs/dbraw/zinc/41/26/39/726412639.db2.gz QMIJNCLXVAFTHL-UHFFFAOYSA-N 1 0 349.355 -0.904 20 5 EBBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]C1CCN(C(=O)c2nnn(C)n2)CC1 ZINC000996895668 726432136 /nfs/dbraw/zinc/43/21/36/726432136.db2.gz CZEPIYRPRYDGBQ-UHFFFAOYSA-N 1 0 349.355 -0.754 20 5 EBBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]C1CCN(C(=O)Cn2cncn2)CC1 ZINC000997258720 726443523 /nfs/dbraw/zinc/44/35/23/726443523.db2.gz FUUFDAJJHPRDDD-UHFFFAOYSA-N 1 0 348.367 -0.299 20 5 EBBDRO Cn1cnc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3c([N+](=O)[O-])ncn3C)C2)n1 ZINC001020127745 729079222 /nfs/dbraw/zinc/07/92/22/729079222.db2.gz XPQPFANBSLSITC-KYZUINATSA-N 1 0 334.340 -0.493 20 5 EBBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1C[C@H](NC(=O)Cn2cncn2)C1 ZINC001021018832 729266807 /nfs/dbraw/zinc/26/68/07/729266807.db2.gz AOIJCGFUIVZXKT-MGCOHNPYSA-N 1 0 334.340 -0.643 20 5 EBBDRO CCC[N@H+](C)CCC(=O)N1CC(O)(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001042976830 732695157 /nfs/dbraw/zinc/69/51/57/732695157.db2.gz WFKVYJHILBTWBM-VXGBXAGGSA-N 1 0 342.396 -0.927 20 5 EBBDRO CCn1nncc1C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@H]2C1 ZINC001048814570 734521040 /nfs/dbraw/zinc/52/10/40/734521040.db2.gz STBBVJNYJOPBAL-ZMJPVWNMSA-N 1 0 334.380 -0.147 20 5 EBBDRO O=C(N[C@H]1C[C@H](C[NH2+]Cc2ncnn2CCF)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000983653608 807070289 /nfs/dbraw/zinc/07/02/89/807070289.db2.gz KGPUUFDYYKPNHH-DDHJBXDOSA-N 1 0 340.359 -0.103 20 5 EBBDRO CCOC(=O)c1cnc(=O)[nH]c1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001225900074 811835291 /nfs/dbraw/zinc/83/52/91/811835291.db2.gz YOKPGEKYYWAHCB-SECBINFHSA-O 1 0 328.345 -0.279 20 5 EBBDRO O=C(C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCOCC1)NC1CC1 ZINC001278707353 817796503 /nfs/dbraw/zinc/79/65/03/817796503.db2.gz IJEYPBIMIHTZDU-VXGBXAGGSA-N 1 0 340.380 -0.815 20 5 EBBDRO CN(CC(C)(C)C[NH2+]CC(=O)N1CCC1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001282295324 818387383 /nfs/dbraw/zinc/38/73/83/818387383.db2.gz VLSZSYGLXFXJDN-VXGBXAGGSA-N 1 0 326.397 -0.042 20 5 EBBDRO CS(=O)(=O)NCCC(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001128600551 828482343 /nfs/dbraw/zinc/48/23/43/828482343.db2.gz AJOXUEGHTMMRQU-UHFFFAOYSA-N 1 0 344.393 -0.260 20 5 EBBDRO COCC(=O)N(C)CC(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001128618988 828490197 /nfs/dbraw/zinc/49/01/97/828490197.db2.gz IUBITBOBXSUXET-UHFFFAOYSA-N 1 0 338.364 -0.095 20 5 EBBDRO CN1CC[NH+](CCC(C)(C)NC(=O)Cn2cnc([N+](=O)[O-])n2)CC1 ZINC001116662412 826631762 /nfs/dbraw/zinc/63/17/62/826631762.db2.gz XASTULQQSKYQHL-UHFFFAOYSA-N 1 0 339.400 -0.281 20 5 EBBDRO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC001117599317 826783107 /nfs/dbraw/zinc/78/31/07/826783107.db2.gz TZVXMIZNJWMRRY-NSHDSACASA-N 1 0 340.384 -0.246 20 5 EBBDRO O=C(NC1CC2(C1)CC([NH2+]CCOCCO)C2)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001121087574 827294582 /nfs/dbraw/zinc/29/45/82/827294582.db2.gz OFZGWGAHWOVWOO-UBDGZGRMSA-N 1 0 327.381 -0.323 20 5 EBBDRO CS(=O)(=O)c1cccc(C[NH2+]CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC001126936276 828233761 /nfs/dbraw/zinc/23/37/61/828233761.db2.gz DRVVILSTKICULO-CHWSQXEVSA-N 1 0 341.389 -0.039 20 5 EBBDRO O=C(NCC[NH2+]CCS(=O)(=O)c1ccccc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126939252 828234743 /nfs/dbraw/zinc/23/47/43/828234743.db2.gz UNFKRKBOOYHUAH-CHWSQXEVSA-N 1 0 341.389 -0.169 20 5 EBBDRO 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328.325 -0.536 20 5 EBBDRO O=C1NCCN1[C@H]1CCC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000075744773 376726080 /nfs/dbraw/zinc/72/60/80/376726080.db2.gz JVAYLOCSXMQNEV-AAEUAGOBSA-N 1 0 338.368 -0.358 20 5 EBBDRO O=[N+]([O-])c1ccn(CC[NH+]2CCC(O)(CN3CCOCC3)CC2)n1 ZINC000364735449 377170683 /nfs/dbraw/zinc/17/06/83/377170683.db2.gz BJMMPBLTDPHKJU-UHFFFAOYSA-N 1 0 339.396 -0.050 20 5 EBBDRO [NH3+][C@@H]1C[C@@H]2CN(C(=O)COc3cccc([N+](=O)[O-])c3)CCN2C1=O ZINC000565841964 377452119 /nfs/dbraw/zinc/45/21/19/377452119.db2.gz BATJTRGVJKRFAY-DGCLKSJQSA-N 1 0 334.332 -0.256 20 5 EBBDRO [NH3+][C@H]1C[C@@H]2CN(C(=O)COc3cccc([N+](=O)[O-])c3)CCN2C1=O ZINC000565841966 377452278 /nfs/dbraw/zinc/45/22/78/377452278.db2.gz BATJTRGVJKRFAY-YPMHNXCESA-N 1 0 334.332 -0.256 20 5 EBBDRO C[C@@H](NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)C(=O)NCC[NH+](C)C ZINC000566461961 377538017 /nfs/dbraw/zinc/53/80/17/377538017.db2.gz KJADEEXTYDCFEP-SNVBAGLBSA-N 1 0 340.384 -0.291 20 5 EBBDRO 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336.348 -0.001 20 5 EBBDRO O=C(CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)N1CC[NH2+]CC1 ZINC000567667720 378175239 /nfs/dbraw/zinc/17/52/39/378175239.db2.gz MRMVCWPNZFDULG-UHFFFAOYSA-N 1 0 336.304 -0.515 20 5 EBBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2CCC(N3CCOCC3)CC2)c1 ZINC000599473997 378248326 /nfs/dbraw/zinc/24/83/26/378248326.db2.gz DPIYWVYKSDIKIR-OAHLLOKOSA-N 1 0 339.396 -0.051 20 5 EBBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)n1 ZINC000567834827 378254170 /nfs/dbraw/zinc/25/41/70/378254170.db2.gz IDIZFJJOEXJQJB-SNVBAGLBSA-N 1 0 338.368 -0.262 20 5 EBBDRO NC(=O)NC(=O)CC[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000569353507 378493859 /nfs/dbraw/zinc/49/38/59/378493859.db2.gz UBBGIHXLTHBMTA-UHFFFAOYSA-N 1 0 344.349 -0.457 20 5 EBBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C[C@H](O)Cn2ccnn2)c1 ZINC000571523994 378553037 /nfs/dbraw/zinc/55/30/37/378553037.db2.gz PLWCBGNXYRXFMC-QWHCGFSZSA-N 1 0 337.336 -0.423 20 5 EBBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000572000532 378565730 /nfs/dbraw/zinc/56/57/30/378565730.db2.gz WWINRVOWMKXLNK-MNOVXSKESA-N 1 0 340.384 -0.068 20 5 EBBDRO O=C1CNC(=O)N1CC[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000571198524 379097859 /nfs/dbraw/zinc/09/78/59/379097859.db2.gz NOQHBBFBWFOLAG-JTQLQIEISA-N 1 0 338.320 -0.524 20 5 EBBDRO C[C@H](NC(=O)C(=O)N1CCO[C@H](C[NH3+])C1)c1cccc([N+](=O)[O-])c1 ZINC000418764428 379335531 /nfs/dbraw/zinc/33/55/31/379335531.db2.gz AJKJCAULZPCLCF-GXFFZTMASA-N 1 0 336.348 -0.042 20 5 EBBDRO [NH3+]CCCNC(=O)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000419843657 379346070 /nfs/dbraw/zinc/34/60/70/379346070.db2.gz XYOKVOLVWVVPTH-UHFFFAOYSA-N 1 0 335.364 -0.292 20 5 EBBDRO C[C@H]1CN(C(=O)C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[NH2+]1 ZINC000419349696 379340322 /nfs/dbraw/zinc/34/03/22/379340322.db2.gz MVKQFVBKCGNIHA-VIFPVBQESA-N 1 0 346.347 -0.092 20 5 EBBDRO C[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000419348775 379341054 /nfs/dbraw/zinc/34/10/54/379341054.db2.gz LQCGFSMEIGRORH-SECBINFHSA-N 1 0 346.347 -0.092 20 5 EBBDRO O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000420205114 379351447 /nfs/dbraw/zinc/35/14/47/379351447.db2.gz RLEDBKPCTVWOFR-AWEZNQCLSA-N 1 0 348.359 -0.416 20 5 EBBDRO CC[C@@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C(=O)N1CCOCC1 ZINC000574270646 379461623 /nfs/dbraw/zinc/46/16/23/379461623.db2.gz GFBFZGFGDULNPR-QWHCGFSZSA-N 1 0 341.368 -0.621 20 5 EBBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]CCN1CC[C@H](O)C1 ZINC000600759228 379657740 /nfs/dbraw/zinc/65/77/40/379657740.db2.gz FTEWPQXCEBFYHK-STQMWFEESA-N 1 0 325.365 -0.009 20 5 EBBDRO C[C@H]1CN(c2cccc([N+](=O)[O-])c2S(N)(=O)=O)CCN1CCO ZINC000548288371 379735798 /nfs/dbraw/zinc/73/57/98/379735798.db2.gz SYFYIQPYKGPMLM-JTQLQIEISA-N 1 0 344.393 -0.255 20 5 EBBDRO COCCO[C@@H]1COCC[C@@H]1[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000581246978 381062584 /nfs/dbraw/zinc/06/25/84/381062584.db2.gz XTOSWIJRXIODHF-HZSPNIEDSA-N 1 0 344.368 -0.438 20 5 EBBDRO CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](C)C(=O)NCC[NH+](C)C)n1 ZINC000580782488 381035328 /nfs/dbraw/zinc/03/53/28/381035328.db2.gz BMUNWRMXYMKEPP-SECBINFHSA-N 1 0 326.357 -0.393 20 5 EBBDRO C[C@H]([C@H](C)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)N1CCOCC1 ZINC000580829086 381037381 /nfs/dbraw/zinc/03/73/81/381037381.db2.gz YATPWVFFFNEISR-SCRDCRAPSA-N 1 0 327.385 -0.149 20 5 EBBDRO C[NH+](C)C[C@@](C)(O)CNc1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1 ZINC000269877082 381339293 /nfs/dbraw/zinc/33/92/93/381339293.db2.gz NYHXZLTUOWHQSB-LBPRGKRZSA-N 1 0 332.382 -0.033 20 5 EBBDRO COCC[N@@H+]1CCCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000299569736 155161045 /nfs/dbraw/zinc/16/10/45/155161045.db2.gz ZMLMNSYCIXZSJP-UHFFFAOYSA-N 1 0 338.364 -0.063 20 5 EBBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC[C@H](CN3CCOCC3)C2)c1 ZINC000173803223 154104882 /nfs/dbraw/zinc/10/48/82/154104882.db2.gz LDIYITGURVULKG-UKRRQHHQSA-N 1 0 339.396 -0.194 20 5 EBBDRO C[C@@H](O)C[N@@H+]1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)[C@@H](C)C1 ZINC000186968922 154147446 /nfs/dbraw/zinc/14/74/46/154147446.db2.gz HDMFBGIFWUJJRZ-NWDGAFQWSA-N 1 0 338.364 -0.330 20 5 EBBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCCN1CC[NH2+]CC1 ZINC000237621447 154173994 /nfs/dbraw/zinc/17/39/94/154173994.db2.gz WOHGQQDAUGWHSF-LBPRGKRZSA-N 1 0 349.391 -0.266 20 5 EBBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC[C@@H](CN3CCOCC3)C2)c1 ZINC000247493969 154185853 /nfs/dbraw/zinc/18/58/53/154185853.db2.gz LDIYITGURVULKG-DZGCQCFKSA-N 1 0 339.396 -0.194 20 5 EBBDRO CN(CC(=O)N1CC[NH2+]CC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000261846382 154203595 /nfs/dbraw/zinc/20/35/95/154203595.db2.gz ZIRGANICTFCTFJ-UHFFFAOYSA-N 1 0 342.377 -0.353 20 5 EBBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@H]1C[NH2+]CCO1 ZINC000262348821 154226879 /nfs/dbraw/zinc/22/68/79/154226879.db2.gz VCMJSHFISXCCHN-SNVBAGLBSA-N 1 0 331.350 -0.130 20 5 EBBDRO CN1CC[N@H+](C)C[C@@H]1CNc1ccc([N+](=O)[O-])cc1S(N)(=O)=O ZINC000264733651 154291183 /nfs/dbraw/zinc/29/11/83/154291183.db2.gz JJFWZIHIFFSHJY-NSHDSACASA-N 1 0 343.409 -0.100 20 5 EBBDRO CN1CC[N@H+](C)C[C@@H]1CNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000264824858 154296309 /nfs/dbraw/zinc/29/63/09/154296309.db2.gz YKYFDUBDXJGMJS-JTQLQIEISA-N 1 0 343.409 -0.100 20 5 EBBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000289361953 154986475 /nfs/dbraw/zinc/98/64/75/154986475.db2.gz ZGZZHQJWTIWBIT-GFCCVEGCSA-N 1 0 335.364 -0.737 20 5 EBBDRO [NH3+]C1(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000295472911 155070128 /nfs/dbraw/zinc/07/01/28/155070128.db2.gz RQOPXOAWYKUBQH-UHFFFAOYSA-N 1 0 342.377 -0.129 20 5 EBBDRO O=C(NCCn1cc([N+](=O)[O-])cn1)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000297153763 155081375 /nfs/dbraw/zinc/08/13/75/155081375.db2.gz DIDUZVBQTKDZOI-GFCCVEGCSA-N 1 0 340.384 -0.063 20 5 EBBDRO C[NH+](C)CCN1CCN(C(=O)c2ccnc(N)c2[N+](=O)[O-])CC1=O ZINC000594375981 420649608 /nfs/dbraw/zinc/64/96/08/420649608.db2.gz KRZJYRNTRMTKGT-UHFFFAOYSA-N 1 0 336.352 -0.582 20 5 EBBDRO CNC(=O)CC[N@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000421010048 420917275 /nfs/dbraw/zinc/91/72/75/420917275.db2.gz ITFMEZHFCVPNLH-UHFFFAOYSA-N 1 0 344.393 -0.059 20 5 EBBDRO C[C@@H]([NH3+])CCNC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000422775207 420922018 /nfs/dbraw/zinc/92/20/18/420922018.db2.gz AOHKFYOUAWNISW-SECBINFHSA-N 1 0 330.366 -0.273 20 5 EBBDRO [NH3+]CCNS(=O)(=O)c1ccc(N2CCOC2=O)c([N+](=O)[O-])c1 ZINC000496172646 420946876 /nfs/dbraw/zinc/94/68/76/420946876.db2.gz UCXAGTIHCHVJGA-UHFFFAOYSA-N 1 0 330.322 -0.212 20 5 EBBDRO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000419464883 264870110 /nfs/dbraw/zinc/87/01/10/264870110.db2.gz NRUXIZCGEJVKSI-PWSUYJOCSA-N 1 0 338.368 -0.459 20 5 EBBDRO CCC[NH2+]CCNC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000423458042 265007059 /nfs/dbraw/zinc/00/70/59/265007059.db2.gz JMHOGPCWVNLTCQ-UHFFFAOYSA-N 1 0 344.393 -0.011 20 5 EBBDRO C[NH2+]CCNC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000429095768 265131628 /nfs/dbraw/zinc/13/16/28/265131628.db2.gz TUWUIAZITYQUNN-UHFFFAOYSA-N 1 0 330.366 -0.401 20 5 EBBDRO Cc1c(C(=O)NC[C@H](C)C[NH3+])cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000441612929 265309690 /nfs/dbraw/zinc/30/96/90/265309690.db2.gz MBQAQVKIHMRFRD-SSDOTTSWSA-N 1 0 330.366 -0.125 20 5 EBBDRO Cc1c(C(=O)NCC[NH+](C)C)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000443383695 265347982 /nfs/dbraw/zinc/34/79/82/265347982.db2.gz HERAKLYEMUMEFO-UHFFFAOYSA-N 1 0 330.366 -0.158 20 5 EBBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000449696157 265393587 /nfs/dbraw/zinc/39/35/87/265393587.db2.gz JRUFPOCMBOCANE-BXUZGUMPSA-N 1 0 349.391 -0.267 20 5 EBBDRO CCOC(=O)N1CC[C@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000496253009 272876607 /nfs/dbraw/zinc/87/66/07/272876607.db2.gz IGLPDUBQQNUVGI-JQWIXIFHSA-N 1 0 327.341 -0.027 20 5 EBBDRO C[C@@H]1CN(C[C@@H](O)C[NH2+]CCn2cc([N+](=O)[O-])cn2)C[C@@H](C)O1 ZINC000516965828 272889215 /nfs/dbraw/zinc/88/92/15/272889215.db2.gz NUYDAOHYSXILPZ-BZPMIXESSA-N 1 0 327.385 -0.149 20 5 EBBDRO CC1(C)OCC(CO)([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CO1 ZINC000788000823 583526379 /nfs/dbraw/zinc/52/63/79/583526379.db2.gz VQRGROZJWLALNI-LLVKDONJSA-N 1 0 330.341 -0.744 20 5 EBBDRO [NH3+][C@@H]1CCN(C(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000817918346 583730946 /nfs/dbraw/zinc/73/09/46/583730946.db2.gz KVDAZFXLUUAMSQ-GFCCVEGCSA-N 1 0 347.375 -0.197 20 5 EBBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1C[C@H](NC(=O)c2ccc(=O)[nH]n2)C1 ZINC001019969211 729052035 /nfs/dbraw/zinc/05/20/35/729052035.db2.gz XWVSSWXPAYRCCX-KYZUINATSA-N 1 0 347.335 -0.126 20 5 EBBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1C[C@H](NC(=O)Cc2nc[nH]n2)C1 ZINC001020904058 729253088 /nfs/dbraw/zinc/25/30/88/729253088.db2.gz KQNAIPKSNYYYBW-KYZUINATSA-N 1 0 334.340 -0.574 20 5 EBBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ncnn2CC(F)F)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001022063913 729451720 /nfs/dbraw/zinc/45/17/20/729451720.db2.gz ONITZDHHKZBWEU-UTINFBMNSA-N 1 0 344.322 -0.055 20 5 EBBDRO O=C(NC1CC[NH+](CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)C(F)F ZINC001055575018 736389525 /nfs/dbraw/zinc/38/95/25/736389525.db2.gz IIWUHIBFXCPFTM-NXEZZACHSA-N 1 0 334.323 -0.387 20 5 EBBDRO O=C(NC1CN(C(=O)c2ccn3c[nH+]cc3c2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000991299151 809254803 /nfs/dbraw/zinc/25/48/03/809254803.db2.gz SBDQXJWWAMUDBM-CHWSQXEVSA-N 1 0 329.316 -0.060 20 5 EBBDRO C[NH+](C)C1CCC(OCC(=O)N2CC([N+](=O)[O-])([N+](=O)[O-])C2)CC1 ZINC001224800047 811776604 /nfs/dbraw/zinc/77/66/04/811776604.db2.gz MWWUSLMVIVBWLJ-UHFFFAOYSA-N 1 0 330.341 -0.032 20 5 EBBDRO O=C(C[NH2+]C/C=C/CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])NC1CCOCC1 ZINC001268542915 814283043 /nfs/dbraw/zinc/28/30/43/814283043.db2.gz SJCZPLVICWFALU-DKZVVXNFSA-N 1 0 340.380 -0.791 20 5 EBBDRO CN(CCC[NH2+]Cc1c([N+](=O)[O-])ncn1C)C(=O)Cc1nnc[nH]1 ZINC001268912160 814440140 /nfs/dbraw/zinc/44/01/40/814440140.db2.gz SNSYWESRCHWNRC-UHFFFAOYSA-N 1 0 336.356 -0.373 20 5 EBBDRO C[NH+](C)CCOCC(=O)NCCCNc1ncc([N+](=O)[O-])c(N)n1 ZINC001094503101 818279470 /nfs/dbraw/zinc/27/94/70/818279470.db2.gz PKUOYIZUQTWIDD-UHFFFAOYSA-N 1 0 341.372 -0.537 20 5 EBBDRO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC001302246996 821750106 /nfs/dbraw/zinc/75/01/06/821750106.db2.gz IXWICRMXYKAZBQ-NSHDSACASA-N 1 0 338.364 -0.282 20 5 EBBDRO C[NH+](C)C[C@@]1(O)CCN(c2cccc(S(N)(=O)=O)c2[N+](=O)[O-])C1 ZINC001307190204 821768921 /nfs/dbraw/zinc/76/89/21/821768921.db2.gz WTKDTCFNFWKLHL-ZDUSSCGKSA-N 1 0 344.393 -0.255 20 5 EBBDRO O=C(Cn1cnc([N+](=O)[O-])n1)NCC1([NH+]2CCCC2)CCOCC1 ZINC001318279628 822286329 /nfs/dbraw/zinc/28/63/29/822286329.db2.gz YAUHMHRASLPXDR-UHFFFAOYSA-N 1 0 338.368 -0.053 20 5 EBBDRO C[NH+](C)CCOC1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC1 ZINC001318553865 822335631 /nfs/dbraw/zinc/33/56/31/822335631.db2.gz AAXOQDYYRVECIN-UHFFFAOYSA-N 1 0 326.357 -0.245 20 5 EBBDRO O=C(NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C1CS(=O)(=O)C1 ZINC001128108010 828415811 /nfs/dbraw/zinc/41/58/11/828415811.db2.gz GCDYNZQHMXMRQH-UHFFFAOYSA-N 1 0 327.362 -0.155 20 5 EBBDRO CCS(=O)(=O)NCC(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001128595369 828482269 /nfs/dbraw/zinc/48/22/69/828482269.db2.gz ZPGOKKFEASEROR-UHFFFAOYSA-N 1 0 344.393 -0.260 20 5 EBBDRO COCC(=O)N(C)CC(=O)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001128618968 828490163 /nfs/dbraw/zinc/49/01/63/828490163.db2.gz IBXJIGZYCHVBSP-UHFFFAOYSA-N 1 0 344.393 -0.033 20 5 EBBDRO COCCC[NH+]1CCC(NC(=O)Cn2cnc([N+](=O)[O-])n2)CC1 ZINC001115962101 826592716 /nfs/dbraw/zinc/59/27/16/826592716.db2.gz JEGHCPUKWOXSNU-UHFFFAOYSA-N 1 0 326.357 -0.197 20 5 EBBDRO CN(CC(F)(F)F)C(=O)C[NH2+]CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126939192 828234378 /nfs/dbraw/zinc/23/43/78/828234378.db2.gz QXSIEDIFMOIZGK-HTQZYQBOSA-N 1 0 326.275 -0.622 20 5 EBBDRO NC(=O)c1ncn(CC(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)n1 ZINC001127648139 828311242 /nfs/dbraw/zinc/31/12/42/828311242.db2.gz GROKULGHOPJXJY-UHFFFAOYSA-N 1 0 347.335 -0.809 20 5 EBBDRO COCCOCC(=O)NCCC[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC001155860136 831435998 /nfs/dbraw/zinc/43/59/98/831435998.db2.gz ABYCMFGZOYVIBM-UHFFFAOYSA-N 1 0 329.357 -0.413 20 5 EBBDRO O=C(C[NH2+]CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])NCC(F)(F)F ZINC001157760764 831590264 /nfs/dbraw/zinc/59/02/64/831590264.db2.gz IQWYTSFZAHMAGI-HTQZYQBOSA-N 1 0 326.275 -0.574 20 5 EBBDRO O=C(NCCC[NH2+]CC1CCS(=O)(=O)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157767068 831591255 /nfs/dbraw/zinc/59/12/55/831591255.db2.gz GTLGOVPILCOTDQ-VXGBXAGGSA-N 1 0 333.410 -0.428 20 5 EBBDRO CN1C[C@H](CNc2ncnc(N3CC[NH2+]CC3)c2[N+](=O)[O-])CC1=O ZINC001157902781 831605014 /nfs/dbraw/zinc/60/50/14/831605014.db2.gz QPDDVTHASFVPEI-JTQLQIEISA-N 1 0 335.368 -0.315 20 5 EBBDRO CC(=O)NC[C@H](C)CNc1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001160654244 831876676 /nfs/dbraw/zinc/87/66/76/831876676.db2.gz YHVNTVNHTBUGCM-JTQLQIEISA-N 1 0 337.384 -0.022 20 5 EBBDRO [NH3+]CCN(CCNc1c(Cl)[n+]([O-])ccc1[N+](=O)[O-])N(O)N=O ZINC001161092545 831923362 /nfs/dbraw/zinc/92/33/62/831923362.db2.gz UIJWRYZZUSMFLY-UHFFFAOYSA-N 1 0 335.708 -0.158 20 5 EBBDRO COC(=O)c1ccc([N+](=O)[O-])c(NCCN(CC[NH3+])N(O)N=O)n1 ZINC001161094713 831924047 /nfs/dbraw/zinc/92/40/47/831924047.db2.gz HUPSFRUHUSZHQN-UHFFFAOYSA-N 1 0 343.300 -0.263 20 5 EBBDRO NC(=O)c1nc(NCc2nnn3c2C[NH2+]CCC3)ccc1[N+](=O)[O-] ZINC001162971951 832073027 /nfs/dbraw/zinc/07/30/27/832073027.db2.gz CTRFPHXWFSMPAO-UHFFFAOYSA-N 1 0 332.324 -0.214 20 5 EBBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCCNC(=O)CCc1cn[nH]n1 ZINC001166968888 832304919 /nfs/dbraw/zinc/30/49/19/832304919.db2.gz OUOQUBULBWFROQ-UHFFFAOYSA-N 1 0 336.356 -0.325 20 5 EBBDRO O=c1[nH]c2nc(=O)[nH]c(Nc3ncnc(C4C[NH2+]C4)c3[N+](=O)[O-])c2[nH]1 ZINC001170218330 832493138 /nfs/dbraw/zinc/49/31/38/832493138.db2.gz VLSCYIMYEIULIH-UHFFFAOYSA-N 1 0 345.279 -0.156 20 5 EBBDRO CCOC(=O)COc1ncc(N[C@H]2C[NH2+]C[C@@H]2CO)cc1[N+](=O)[O-] ZINC001170782337 832525633 /nfs/dbraw/zinc/52/56/33/832525633.db2.gz UWOQPMQAPRJLPM-KOLCDFICSA-N 1 0 340.336 -0.076 20 5 EBBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]C(CO)(CO)CO)c1F ZINC001173176378 832583847 /nfs/dbraw/zinc/58/38/47/832583847.db2.gz GWSFWDVMOOEXFJ-SECBINFHSA-N 1 0 332.328 -0.021 20 5 EBBDRO O=[N+]([O-])c1cnn(C[C@H](O)CN2CC[NH+](C[C@@H]3CCOC3)CC2)c1 ZINC001319011736 838059714 /nfs/dbraw/zinc/05/97/14/838059714.db2.gz GPYYKEZBSUIOKH-DZGCQCFKSA-N 1 0 339.396 -0.194 20 5 EBBDRO C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC001324314960 839627952 /nfs/dbraw/zinc/62/79/52/839627952.db2.gz CKCKURCPHZEFKA-LLVKDONJSA-N 1 0 338.368 -0.540 20 5 EBBDRO CC(C)(C)NC(=O)C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@H]2C1 ZINC001325736848 839923262 /nfs/dbraw/zinc/92/32/62/839923262.db2.gz RJAAJWOFSWSFRH-YVECIDJPSA-N 1 0 338.408 -0.044 20 5 EBBDRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC001326705621 840181593 /nfs/dbraw/zinc/18/15/93/840181593.db2.gz SUFAXUQDGIEIHJ-NSHDSACASA-N 1 0 336.352 -0.128 20 5 EBBDRO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCCN(CCO)CC2)n1 ZINC001329208486 840873614 /nfs/dbraw/zinc/87/36/14/840873614.db2.gz FTKOXHBDWXPOKX-UHFFFAOYSA-N 1 0 333.370 -0.983 20 5 EBBDRO CN1CC[C@@H]([NH+]2CCC(NC(=O)c3c[nH]nc3[N+](=O)[O-])CC2)C1=O ZINC001329530876 840946869 /nfs/dbraw/zinc/94/68/69/840946869.db2.gz SIKBKHIUWHIPLF-LLVKDONJSA-N 1 0 336.352 -0.257 20 5 EBBDRO C[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1(S(C)(=O)=O)CC1 ZINC001331973350 841540919 /nfs/dbraw/zinc/54/09/19/841540919.db2.gz VUMPOFLDROZNNP-GXSJLCMTSA-N 1 0 332.382 -0.293 20 5 EBBDRO CNS(=O)(=O)C1CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC001343877381 843263087 /nfs/dbraw/zinc/26/30/87/843263087.db2.gz BNTKLRLCBXABSN-LLVKDONJSA-N 1 0 347.397 -0.834 20 5 EBBDRO Cn1c(Cn2cnc([N+](=O)[O-])n2)nnc1N1CC[NH+](CC2CC2)CC1 ZINC001344942907 843348967 /nfs/dbraw/zinc/34/89/67/843348967.db2.gz MLPFPZWFFDAYBF-UHFFFAOYSA-N 1 0 347.383 -0.105 20 5 EBBDRO COCCN1CCC[C@@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC001346123895 843478794 /nfs/dbraw/zinc/47/87/94/843478794.db2.gz WQFITECOZPRXNE-TZMCWYRMSA-N 1 0 327.385 -0.147 20 5 EBBDRO CN(CCC[NH2+]Cc1c([N+](=O)[O-])ncn1C)C(=O)C1(C(N)=O)CC1 ZINC001483489121 1126430851 /nfs/dbraw/zinc/43/08/51/1126430851.db2.gz MVOWJRMNXIIAGO-UHFFFAOYSA-N 1 0 338.368 -0.468 20 5 EBBDRO CC(C)NC(=O)C[NH2+]CC1(O)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001484952768 1126657861 /nfs/dbraw/zinc/65/78/61/1126657861.db2.gz KMMFLDJZIRDTBQ-VXGBXAGGSA-N 1 0 342.396 -0.881 20 5 EBBDRO CN(C)C[C@@H](CO)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000574157471 376667996 /nfs/dbraw/zinc/66/79/96/376667996.db2.gz CXCKJHISZNRVPT-NSHDSACASA-N 1 0 331.394 -0.119 20 5 EBBDRO CNS(=O)(=O)[C@H]1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000363485853 376804647 /nfs/dbraw/zinc/80/46/47/376804647.db2.gz BTCFRXDGVLOPRT-NSHDSACASA-N 1 0 342.377 -0.183 20 5 EBBDRO C[NH2+][C@@H]1CCN(C(=O)C(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000562821447 377000883 /nfs/dbraw/zinc/00/08/83/377000883.db2.gz KFPJIQOCNDWLIQ-LLVKDONJSA-N 1 0 336.348 -0.090 20 5 EBBDRO CO[C@@H](C[NH3+])C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000289893282 377011754 /nfs/dbraw/zinc/01/17/54/377011754.db2.gz IQMARTGNMMPCQQ-ZDUSSCGKSA-N 1 0 336.348 -0.147 20 5 EBBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@@H]2CS(=O)(=O)C[C@H]2O)c1 ZINC000564330626 377445598 /nfs/dbraw/zinc/44/55/98/377445598.db2.gz LBYLMQHJFJMDOW-CYZMBNFOSA-N 1 0 346.361 -0.918 20 5 EBBDRO C[NH+](C)C[C@](C)(O)CNc1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000589111946 377399602 /nfs/dbraw/zinc/39/96/02/377399602.db2.gz HRNYUGOMQIAYLC-GFCCVEGCSA-N 1 0 332.382 -0.033 20 5 EBBDRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)N=c1cc[nH]cc1[N+](=O)[O-] ZINC000592247747 377807855 /nfs/dbraw/zinc/80/78/55/377807855.db2.gz SZIWGQSFBUEHDW-JTQLQIEISA-N 1 0 336.352 -0.005 20 5 EBBDRO O=c1cc(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)nc2ccccn12 ZINC000592998356 377868761 /nfs/dbraw/zinc/86/87/61/377868761.db2.gz SBHRSGFCKLXMST-CYBMUJFWSA-N 1 0 344.331 -0.050 20 5 EBBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)nc1 ZINC000595111010 377974377 /nfs/dbraw/zinc/97/43/77/377974377.db2.gz DUUDFOPNYJDLPM-NSHDSACASA-N 1 0 341.393 -0.342 20 5 EBBDRO CCOC(=O)c1ccnc(N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)c1[N+](=O)[O-] ZINC000567179466 377988208 /nfs/dbraw/zinc/98/82/08/377988208.db2.gz GTIRWMBEJRKNFV-GXSJLCMTSA-N 1 0 349.347 -0.085 20 5 EBBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(CC[NH3+])C[C@@H](O)CO ZINC000595902269 378035558 /nfs/dbraw/zinc/03/55/58/378035558.db2.gz QJNQHGABXHCFGP-CYBMUJFWSA-N 1 0 340.380 -0.154 20 5 EBBDRO Cc1n[nH]c(C(=O)N(CC[NH+](C)C)CC(=O)N(C)C)c1[N+](=O)[O-] ZINC000598185496 378157577 /nfs/dbraw/zinc/15/75/77/378157577.db2.gz KGGIUMABWAPMHW-UHFFFAOYSA-N 1 0 326.357 -0.282 20 5 EBBDRO CCc1n[nH]c(C(=O)N(CC[NH+](C)C)CC(=O)N(C)C)c1[N+](=O)[O-] ZINC000598183958 378157852 /nfs/dbraw/zinc/15/78/52/378157852.db2.gz CSYLUGMCSOYEHT-UHFFFAOYSA-N 1 0 340.384 -0.028 20 5 EBBDRO CN1CC[NH2+]C[C@H]1CNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000567671228 378176026 /nfs/dbraw/zinc/17/60/26/378176026.db2.gz KKPDSWNWUTVRLP-LBPRGKRZSA-N 1 0 345.363 -0.191 20 5 EBBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH+]2C[C@@H](CO)[C@H](CO)C2)c1 ZINC000599531375 378254924 /nfs/dbraw/zinc/25/49/24/378254924.db2.gz VDMAHOPLAGSWET-OBJOEFQTSA-N 1 0 326.349 -0.133 20 5 EBBDRO COC(=O)[C@@]1(OC)CC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000599562935 378258695 /nfs/dbraw/zinc/25/86/95/378258695.db2.gz KJXVNPQOSPOLMX-DGCLKSJQSA-N 1 0 328.325 -0.584 20 5 EBBDRO CN1CCN(C(=O)C(=O)NCCc2ccccc2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000568737317 378422394 /nfs/dbraw/zinc/42/23/94/378422394.db2.gz JNTJAYICXSOQDR-ZDUSSCGKSA-N 1 0 349.391 -0.645 20 5 EBBDRO [NH3+][C@@H]1C[C@@H]2CN(C(=O)c3n[nH]c4ccc([N+](=O)[O-])cc43)CCN2C1=O ZINC000571106806 378549394 /nfs/dbraw/zinc/54/93/94/378549394.db2.gz QVMNJIRTOZSVOI-MWLCHTKSSA-N 1 0 344.331 -0.145 20 5 EBBDRO [NH3+]CCn1cc(C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)nn1 ZINC000327553934 378552197 /nfs/dbraw/zinc/55/21/97/378552197.db2.gz KDUZWVVQLMSYIJ-UHFFFAOYSA-N 1 0 346.351 -0.498 20 5 EBBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)c1 ZINC000571581563 378554349 /nfs/dbraw/zinc/55/43/49/378554349.db2.gz GSTQRIJWZMJZKP-CABZTGNLSA-N 1 0 334.332 -0.013 20 5 EBBDRO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000572000534 378565407 /nfs/dbraw/zinc/56/54/07/378565407.db2.gz WWINRVOWMKXLNK-WDEREUQCSA-N 1 0 340.384 -0.068 20 5 EBBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C[C@H]2CCCCN2CCO)c1 ZINC000573967433 379172212 /nfs/dbraw/zinc/17/22/12/379172212.db2.gz WWCQEGWALROPNY-OCCSQVGLSA-N 1 0 327.385 -0.411 20 5 EBBDRO O=C1N=NCN1C1CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000574023547 379224762 /nfs/dbraw/zinc/22/47/62/379224762.db2.gz NJDIYHUXFDPFGN-GFCCVEGCSA-N 1 0 337.340 -0.214 20 5 EBBDRO COCC[NH2+]CCNC(=O)C(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000419762806 379345449 /nfs/dbraw/zinc/34/54/49/379345449.db2.gz SYOZWEWNQUPDPF-UHFFFAOYSA-N 1 0 338.364 -0.128 20 5 EBBDRO C[C@H](NC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1)c1ccccc1[N+](=O)[O-] ZINC000419156811 379336953 /nfs/dbraw/zinc/33/69/53/379336953.db2.gz VPXDPFORYHXNKA-QWRGUYRKSA-N 1 0 336.348 -0.042 20 5 EBBDRO O=[N+]([O-])c1cnn(CC[NH+]2CCC(O)(CN3CCOCC3)CC2)c1 ZINC000368680415 379373269 /nfs/dbraw/zinc/37/32/69/379373269.db2.gz MJJRWORUJNRXMB-UHFFFAOYSA-N 1 0 339.396 -0.050 20 5 EBBDRO C[C@H](O)CN1CCN(c2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)CC1 ZINC000275065412 379462007 /nfs/dbraw/zinc/46/20/07/379462007.db2.gz XKBBJOCJUYCXPT-JTQLQIEISA-N 1 0 344.393 -0.255 20 5 EBBDRO NC(=O)[C@]1(O)CC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000276587608 379480452 /nfs/dbraw/zinc/48/04/52/379480452.db2.gz PKMQQRFZJTVBLB-YGRLFVJLSA-N 1 0 325.321 -0.743 20 5 EBBDRO C[C@@H](C[NH3+])NC(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000277036693 379489224 /nfs/dbraw/zinc/48/92/24/379489224.db2.gz JLLQANMWPOZLBY-QMMMGPOBSA-N 1 0 345.381 -0.492 20 5 EBBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]CCN2CC[C@@H](O)C2)c1 ZINC000600761217 379660281 /nfs/dbraw/zinc/66/02/81/379660281.db2.gz WUOIFNNBCNNJNR-ZIAGYGMSSA-N 1 0 325.365 -0.009 20 5 EBBDRO NS(=O)(=O)c1c([N+](=O)[O-])cccc1N1CCC[N@H+](CCO)CC1 ZINC000610075977 380685147 /nfs/dbraw/zinc/68/51/47/380685147.db2.gz KOIUSQMYXRBEAW-UHFFFAOYSA-N 1 0 344.393 -0.253 20 5 EBBDRO C[C@H](CO)[N@@H+]1CCCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000346613255 380736845 /nfs/dbraw/zinc/73/68/45/380736845.db2.gz GYHFOIWEMHTXIS-TZMCWYRMSA-N 1 0 327.385 -0.459 20 5 EBBDRO CN(CC(=O)NCC[NH+](C)C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000269734714 381205192 /nfs/dbraw/zinc/20/51/92/381205192.db2.gz ZYVMUIUUQNZMRH-UHFFFAOYSA-N 1 0 344.393 -0.107 20 5 EBBDRO [NH3+]C[C@H]1CN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000274798676 381262664 /nfs/dbraw/zinc/26/26/64/381262664.db2.gz OOFJQQDTFMGSII-ZDUSSCGKSA-N 1 0 336.348 -0.099 20 5 EBBDRO CCNC(=O)N1CC[C@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000575174895 381517024 /nfs/dbraw/zinc/51/70/24/381517024.db2.gz YLOJTTWHDJAKIT-CMPLNLGQSA-N 1 0 326.357 -0.454 20 5 EBBDRO O=C(C[NH2+]C1CC1)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000572355824 381670026 /nfs/dbraw/zinc/67/00/26/381670026.db2.gz BSAMUTYTNFSUHV-UHFFFAOYSA-N 1 0 342.377 -0.259 20 5 EBBDRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000330644190 155297006 /nfs/dbraw/zinc/29/70/06/155297006.db2.gz HGRPIQJEWLZNPO-LBPRGKRZSA-N 1 0 337.380 -0.491 20 5 EBBDRO [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000193687533 154160442 /nfs/dbraw/zinc/16/04/42/154160442.db2.gz RBQLDMPAEDARIR-LLVKDONJSA-N 1 0 338.368 -0.363 20 5 EBBDRO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000237935311 154175299 /nfs/dbraw/zinc/17/52/99/154175299.db2.gz SHCLMIPXLWSYDN-NSHDSACASA-N 1 0 338.368 -0.505 20 5 EBBDRO C[NH2+][C@H](C)CNC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000261738521 154199415 /nfs/dbraw/zinc/19/94/15/154199415.db2.gz MGHQOSKFLWISPY-SNVBAGLBSA-N 1 0 344.393 -0.061 20 5 EBBDRO C[C@@H](C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H](C)[NH3+] ZINC000262463696 154231774 /nfs/dbraw/zinc/23/17/74/154231774.db2.gz KWYIKIAYXQFJQR-ZJUUUORDSA-N 1 0 344.393 -0.027 20 5 EBBDRO COc1ccc(S(=O)(=O)NCCN2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000262496962 154234722 /nfs/dbraw/zinc/23/47/22/154234722.db2.gz LNSMQMKEEKLRBI-UHFFFAOYSA-N 1 0 344.393 -0.213 20 5 EBBDRO C[NH2+]CCCC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000262605955 154239480 /nfs/dbraw/zinc/23/94/80/154239480.db2.gz GNRRIMBTCZEAFN-UHFFFAOYSA-N 1 0 344.393 -0.011 20 5 EBBDRO C[C@H](C[NH+](C)C)NC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000346187539 156389704 /nfs/dbraw/zinc/38/97/04/156389704.db2.gz DWYIEJJLBYMMEV-SNVBAGLBSA-N 1 0 344.393 -0.061 20 5 EBBDRO Cc1ccc(S(=O)(=O)NCC(=O)N2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000320046434 419004395 /nfs/dbraw/zinc/00/43/95/419004395.db2.gz RSIFNVRJSTWYSF-UHFFFAOYSA-N 1 0 342.377 -0.387 20 5 EBBDRO C[C@@H]1CN(C[C@@H](O)C[NH2+]CCn2cc([N+](=O)[O-])cn2)C[C@H](C)O1 ZINC000516965830 419090044 /nfs/dbraw/zinc/09/00/44/419090044.db2.gz NUYDAOHYSXILPZ-SCRDCRAPSA-N 1 0 327.385 -0.149 20 5 EBBDRO C[NH+](C)CC(=O)N1CCN(c2cccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000341747377 419243499 /nfs/dbraw/zinc/24/34/99/419243499.db2.gz ZKLNLLIKTKRRTD-UHFFFAOYSA-N 1 0 335.364 -0.096 20 5 EBBDRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000416293033 419861012 /nfs/dbraw/zinc/86/10/12/419861012.db2.gz JHAHSDLWEALJIE-VXGBXAGGSA-N 1 0 338.364 -0.330 20 5 EBBDRO Nc1nc(N2CCC(O)(C[NH+]3CCOCC3)CC2)ncc1[N+](=O)[O-] ZINC000370676228 420654229 /nfs/dbraw/zinc/65/42/29/420654229.db2.gz JHTKXVINBLINBA-UHFFFAOYSA-N 1 0 338.368 -0.370 20 5 EBBDRO [NH3+][C@H]1C[C@@H]2CN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CCN2C1=O ZINC000522014228 420898784 /nfs/dbraw/zinc/89/87/84/420898784.db2.gz LUWLRZCFESGUPF-ZJUUUORDSA-N 1 0 340.361 -0.473 20 5 EBBDRO CC(C)[C@@H]([NH3+])CNC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000422847246 420921454 /nfs/dbraw/zinc/92/14/54/420921454.db2.gz HVFWEGNJKLCYMB-JTQLQIEISA-N 1 0 344.393 -0.027 20 5 EBBDRO [NH3+]C[C@@H]1CCCN1C(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000422883592 420921667 /nfs/dbraw/zinc/92/16/67/420921667.db2.gz QUSGCSHUDFTYGD-JTQLQIEISA-N 1 0 342.377 -0.177 20 5 EBBDRO C[NH2+][C@H]1CCN(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000422716686 420922157 /nfs/dbraw/zinc/92/21/57/420922157.db2.gz UZORAEFHBVXQIJ-JTQLQIEISA-N 1 0 342.377 -0.307 20 5 EBBDRO C[C@H]([NH3+])[C@H](C)NC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000423679176 265031393 /nfs/dbraw/zinc/03/13/93/265031393.db2.gz LSOMDCNMMDAPOC-IUCAKERBSA-N 1 0 330.366 -0.275 20 5 EBBDRO CS(=O)(=O)c1ccc(NCCNC(=O)[C@@H]2C[C@@H]2[NH3+])c([N+](=O)[O-])c1 ZINC000424063982 265047951 /nfs/dbraw/zinc/04/79/51/265047951.db2.gz NQJOJGYHVJUJNV-ZJUUUORDSA-N 1 0 342.377 -0.126 20 5 EBBDRO C[C@@H](CN1CCOCC1)[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000434711687 265212335 /nfs/dbraw/zinc/21/23/35/265212335.db2.gz QSMMGDGPNLDQJD-JSGCOSHPSA-N 1 0 327.385 -0.195 20 5 EBBDRO C[C@H](C[NH3+])CNC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000441618641 265308690 /nfs/dbraw/zinc/30/86/90/265308690.db2.gz HJDYGPBECJKRRZ-SNVBAGLBSA-N 1 0 344.393 -0.026 20 5 EBBDRO CS(=O)(=O)c1ccc(NCCNC(=O)[C@H]2CC[NH2+]2)c([N+](=O)[O-])c1 ZINC000444153147 265360053 /nfs/dbraw/zinc/36/00/53/265360053.db2.gz QFBUIISUFAHZAK-LLVKDONJSA-N 1 0 342.377 -0.112 20 5 EBBDRO O=C1N[C@H]2C[N@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC[C@@H]2CO1 ZINC000830944222 583972395 /nfs/dbraw/zinc/97/23/95/583972395.db2.gz WLAWINZVNDQKNK-USWWRNFRSA-N 1 0 325.325 -0.418 20 5 EBBDRO Nc1ccc(C(=O)Nc2nc(N3CC[NH2+]CC3)n[nH]2)cc1[N+](=O)[O-] ZINC000832811991 584002221 /nfs/dbraw/zinc/00/22/21/584002221.db2.gz QDBZWMOYLKVREA-UHFFFAOYSA-N 1 0 332.324 -0.043 20 5 EBBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@H](CO)CN2CCOCC2)cc1 ZINC000843113398 584071293 /nfs/dbraw/zinc/07/12/93/584071293.db2.gz NTUOCWGFMHCJQX-ZFWWWQNUSA-N 1 0 325.365 -0.089 20 5 EBBDRO O=C(C[NH+]1CCCC1)N1CCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 ZINC001019014340 728773628 /nfs/dbraw/zinc/77/36/28/728773628.db2.gz YQBPFQYAEVBXEB-CHWSQXEVSA-N 1 0 336.392 -0.192 20 5 EBBDRO O=C(NC1CC2(C1)CC([NH2+]CCn1cncn1)C2)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000963791233 723487018 /nfs/dbraw/zinc/48/70/18/723487018.db2.gz PQITYRDSUWTEIW-UBDGZGRMSA-N 1 0 334.380 -0.040 20 5 EBBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]CC1CCN(C(=O)CC(N)=O)CC1 ZINC000997626753 726457912 /nfs/dbraw/zinc/45/79/12/726457912.db2.gz KONNIVOENRINOZ-UHFFFAOYSA-N 1 0 338.368 -0.468 20 5 EBBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1C[C@@H](NC(=O)c2ccc(=O)[nH]n2)C1 ZINC001021807062 729339892 /nfs/dbraw/zinc/33/98/92/729339892.db2.gz XWVSSWXPAYRCCX-DTORHVGOSA-N 1 0 347.335 -0.126 20 5 EBBDRO O=C(N[C@H]1C[C@@H]([NH2+]CC2CCS(=O)(=O)CC2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001022064166 729451587 /nfs/dbraw/zinc/45/15/87/729451587.db2.gz YYVOGRAJJAUSNN-YVECIDJPSA-N 1 0 345.421 -0.287 20 5 EBBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1C[C@@H](NC(=O)c2c[nH]c(=O)n2C)C1 ZINC001022545322 729508201 /nfs/dbraw/zinc/50/82/01/729508201.db2.gz SBCPSTLLZZKXPN-DTORHVGOSA-N 1 0 349.351 -0.182 20 5 EBBDRO O=C(Cn1cnnn1)N[C@@H]1[C@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC001025671535 730066151 /nfs/dbraw/zinc/06/61/51/730066151.db2.gz OJMQNXYUQMDREB-NHAGDIPZSA-N 1 0 343.347 -0.172 20 5 EBBDRO O=C(Cn1ncnn1)N[C@@H]1[C@H]2C[N@@H+](Cc3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC001025783574 730087273 /nfs/dbraw/zinc/08/72/73/730087273.db2.gz LBKQOSRMSGKLSL-NHAGDIPZSA-N 1 0 343.347 -0.172 20 5 EBBDRO CC[N@H+](C)C(C)(C)C(=O)N1CC(O)(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001042977671 732695077 /nfs/dbraw/zinc/69/50/77/732695077.db2.gz BKBCFFKMPDAFBX-GHMZBOCLSA-N 1 0 342.396 -0.929 20 5 EBBDRO O=C(C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@H]2C1)N1CCCC1 ZINC001048812682 734519201 /nfs/dbraw/zinc/51/92/01/734519201.db2.gz MPYQNKAJPNZGFP-XJFOESAGSA-N 1 0 336.392 -0.336 20 5 EBBDRO Cn1ccc(C[N@H+]2C[C@H]3CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C[C@H]3C2)cc1=O ZINC001048813006 734519492 /nfs/dbraw/zinc/51/94/92/734519492.db2.gz VMEGTLQBAOPAIL-LXTVHRRPSA-N 1 0 346.387 -0.059 20 5 EBBDRO O=C(NC[C@H]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000978793758 804982097 /nfs/dbraw/zinc/98/20/97/804982097.db2.gz ACLFZIXABQXAET-YVECIDJPSA-N 1 0 336.392 -0.242 20 5 EBBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]C[C@H]1C[C@H](NC(=O)c2cnnn2C)C1 ZINC000983589377 807046991 /nfs/dbraw/zinc/04/69/91/807046991.db2.gz FXVIXMIYAIYLFD-MGCOHNPYSA-N 1 0 348.367 -0.245 20 5 EBBDRO CC(C)n1nnnc1C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000983649703 807068452 /nfs/dbraw/zinc/06/84/52/807068452.db2.gz QOAFOHLYDDPJDP-DDHJBXDOSA-N 1 0 337.384 -0.096 20 5 EBBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]C[C@@H]1C[C@@H](NC(=O)c2cnn(C)n2)C1 ZINC000984924922 807413880 /nfs/dbraw/zinc/41/38/80/807413880.db2.gz QCOGHEZCHMEPPQ-MGCOHNPYSA-N 1 0 348.367 -0.245 20 5 EBBDRO CN(C)c1cc[nH+]cc1C(=O)N1CC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000991299413 809255719 /nfs/dbraw/zinc/25/57/19/809255719.db2.gz VAWWWEMOGINMRF-ZWNOBZJWSA-N 1 0 333.348 -0.247 20 5 EBBDRO CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CN(C(=O)COCC[NH+](C)C)C1 ZINC001079744052 811692429 /nfs/dbraw/zinc/69/24/29/811692429.db2.gz PTOOXNNEXDYTIK-CHWSQXEVSA-N 1 0 342.396 -0.711 20 5 EBBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](OCC(=O)N1CC([N+](=O)[O-])([N+](=O)[O-])C1)C2 ZINC001224796747 811776555 /nfs/dbraw/zinc/77/65/55/811776555.db2.gz KWLRHGMVJJBARY-JGPRNRPPSA-N 1 0 328.325 -0.280 20 5 EBBDRO C[NH+](C)CCC(=O)N1CCC(CO)(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001080856439 812291772 /nfs/dbraw/zinc/29/17/72/812291772.db2.gz DNUQMWYZTCTVRT-VXGBXAGGSA-N 1 0 342.396 -0.927 20 5 EBBDRO C[NH+](C)CCC(=O)NC1(CO)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001080988943 812428082 /nfs/dbraw/zinc/42/80/82/812428082.db2.gz INIKIMZZNLFGCG-VXGBXAGGSA-N 1 0 342.396 -0.927 20 5 EBBDRO CN1C(=O)NC2(CC[NH+](CCn3cc([N+](=O)[O-])ccc3=O)CC2)C1=O ZINC001253770056 812687616 /nfs/dbraw/zinc/68/76/16/812687616.db2.gz ROCLHEHFKWKZRA-UHFFFAOYSA-N 1 0 349.347 -0.227 20 5 EBBDRO C[N@H+](CCNC(=O)NC(C)(C)C)CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001266273696 813504867 /nfs/dbraw/zinc/50/48/67/813504867.db2.gz YGNMBMRAEMQFPA-GHMZBOCLSA-N 1 0 329.401 -0.203 20 5 EBBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1C[C@@H](NC(=O)CCn2ccnn2)C1 ZINC001266679676 813639243 /nfs/dbraw/zinc/63/92/43/813639243.db2.gz AVDUTQBAFOTLJO-PHIMTYICSA-N 1 0 348.367 -0.253 20 5 EBBDRO O=C(C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)Nc1cnccn1 ZINC001266683342 813639553 /nfs/dbraw/zinc/63/95/53/813639553.db2.gz MEWRDPFLJNKSCE-LMLFDSFASA-N 1 0 334.336 -0.683 20 5 EBBDRO CCn1ncc(C(=O)N(C)CC[NH2+]Cc2c([N+](=O)[O-])ncn2C)n1 ZINC001266690526 813641444 /nfs/dbraw/zinc/64/14/44/813641444.db2.gz YJVSYRQSWFACCT-UHFFFAOYSA-N 1 0 336.356 -0.199 20 5 EBBDRO CNC(=O)NC(=O)C[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001275668330 817269606 /nfs/dbraw/zinc/26/96/06/817269606.db2.gz KVYNJPFCXLKODI-NXEZZACHSA-N 1 0 343.384 -0.819 20 5 EBBDRO Cn1c2ccccc2c(N2CC[NH2+][C@H](C(N)=O)C2)c([N+](=O)[O-])c1=O ZINC001306922675 821768867 /nfs/dbraw/zinc/76/88/67/821768867.db2.gz SAEPDXHOOIDBGC-JTQLQIEISA-N 1 0 331.332 -0.290 20 5 EBBDRO CCN1CC[NH+](C[C@H](C)CNC(=O)Cn2cnc([N+](=O)[O-])n2)CC1 ZINC001318458942 822320494 /nfs/dbraw/zinc/32/04/94/822320494.db2.gz BSIPGVCZCROVKA-GFCCVEGCSA-N 1 0 339.400 -0.424 20 5 EBBDRO O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC([N@@H+]3CC[C@H](O)C3)CC2)c1 ZINC001118566358 826960799 /nfs/dbraw/zinc/96/07/99/826960799.db2.gz JNDUBTFJTUOCPQ-LSDHHAIUSA-N 1 0 339.396 -0.317 20 5 EBBDRO CNS(=O)(=O)CCC(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001127082469 828249688 /nfs/dbraw/zinc/24/96/88/828249688.db2.gz RBALQYSNWZMNET-UHFFFAOYSA-N 1 0 344.393 -0.260 20 5 EBBDRO O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)NC[C@@H](O)C[NH+]1CCCCC1 ZINC001142744924 830135353 /nfs/dbraw/zinc/13/53/53/830135353.db2.gz KNKXPYQPXQQXMU-GFCCVEGCSA-N 1 0 338.364 -0.281 20 5 EBBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCCNC(=O)CNC(=O)C1CC1 ZINC001155028957 831380465 /nfs/dbraw/zinc/38/04/65/831380465.db2.gz AGLPOLRTXXTBMX-UHFFFAOYSA-N 1 0 338.368 -0.550 20 5 EBBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCCNC(=O)c1cc(=O)n(C)cn1 ZINC001160250317 831828907 /nfs/dbraw/zinc/82/89/07/831828907.db2.gz YONFARLEGXUUOA-UHFFFAOYSA-N 1 0 349.351 -0.668 20 5 EBBDRO Cc1cnc(Nc2ncnc(N3CC[NH2+]CC3)c2[N+](=O)[O-])c(=O)[nH]1 ZINC001162713417 832060594 /nfs/dbraw/zinc/06/05/94/832060594.db2.gz FMPFKLAZVIIPKV-UHFFFAOYSA-N 1 0 332.324 -0.070 20 5 EBBDRO COc1ncnc(N2CCCO[C@]3(C[NH2+]CCOC3)C2)c1[N+](=O)[O-] ZINC001165342479 832216198 /nfs/dbraw/zinc/21/61/98/832216198.db2.gz WNJUBILNLIVHCF-CQSZACIVSA-N 1 0 339.352 -0.021 20 5 EBBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)C(=O)NC[C@H]1COCC[NH2+]1 ZINC001351546993 832249609 /nfs/dbraw/zinc/24/96/09/832249609.db2.gz WHCMOXVHLRPPLL-LBPRGKRZSA-N 1 0 336.348 -0.642 20 5 EBBDRO COC(=O)c1nc(Cl)nc(N2CCO[C@@H](C[NH3+])C2)c1[N+](=O)[O-] ZINC001166937503 832301468 /nfs/dbraw/zinc/30/14/68/832301468.db2.gz AJPQUHNWASHGGB-LURJTMIESA-N 1 0 331.716 -0.011 20 5 EBBDRO O=C(CN1CC(=O)NC1=O)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001168607134 832428705 /nfs/dbraw/zinc/42/87/05/832428705.db2.gz POXXQOLAOBEMGC-UHFFFAOYSA-N 1 0 349.347 -0.258 20 5 EBBDRO CNC(=O)CN1CCO[C@H]2C[N@@H+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)C[C@H]21 ZINC001169026638 832444073 /nfs/dbraw/zinc/44/40/73/832444073.db2.gz YFUDWCJIKOLSDZ-FQUUOJAGSA-N 1 0 326.397 -0.437 20 5 EBBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC001190700254 834321278 /nfs/dbraw/zinc/32/12/78/834321278.db2.gz WGNAZXKOWDQOMK-NSHDSACASA-N 1 0 346.413 -0.395 20 5 EBBDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC001319458157 838131988 /nfs/dbraw/zinc/13/19/88/838131988.db2.gz KYPZCGNGRYFLRL-IJLUTSLNSA-N 1 0 338.368 -0.104 20 5 EBBDRO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC001321940556 839107641 /nfs/dbraw/zinc/10/76/41/839107641.db2.gz YNEHBAXDBDZRKX-JTQLQIEISA-N 1 0 326.357 -0.636 20 5 EBBDRO C[C@H](CC[NH+](C)C)NC(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC001321940558 839107749 /nfs/dbraw/zinc/10/77/49/839107749.db2.gz YNEHBAXDBDZRKX-SNVBAGLBSA-N 1 0 326.357 -0.636 20 5 EBBDRO CN(CCC[NH2+]Cc1c([N+](=O)[O-])ncn1C)C(=O)Cn1cncn1 ZINC001322825304 839278203 /nfs/dbraw/zinc/27/82/03/839278203.db2.gz CRNPTDFDLYFWHC-UHFFFAOYSA-N 1 0 336.356 -0.442 20 5 EBBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]CC2(CO)COC2)cc1 ZINC001327001795 840265486 /nfs/dbraw/zinc/26/54/86/840265486.db2.gz ANFZOWLGCLAWPC-UHFFFAOYSA-N 1 0 330.362 -0.033 20 5 EBBDRO CN(CCNS(C)(=O)=O)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC001339033492 842889595 /nfs/dbraw/zinc/88/95/95/842889595.db2.gz RAWUXEZPZJLUDN-GFCCVEGCSA-N 1 0 347.393 -0.185 20 5 EBBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC001348860327 843760061 /nfs/dbraw/zinc/76/00/61/843760061.db2.gz NXVOBUFMPTYGIS-NWDGAFQWSA-N 1 0 333.352 -0.213 20 5 EBBDRO CC1CCN(C(=O)C[NH2+]CCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001691314903 1125849984 /nfs/dbraw/zinc/84/99/84/1125849984.db2.gz KUBVWOQLOIAMDF-CHWSQXEVSA-N 1 0 326.397 -0.042 20 5 EBBDRO CNS(=O)(=O)CC(=O)N(C)CC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001691608049 1126325533 /nfs/dbraw/zinc/32/55/33/1126325533.db2.gz INSXGTXFADWFBF-UHFFFAOYSA-N 1 0 344.393 -0.308 20 5 EBBDRO O=C(c1n[nH]cc1[N+](=O)[O-])N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000577608583 375885183 /nfs/dbraw/zinc/88/51/83/375885183.db2.gz VUWJBZQHVYMYMI-JTQLQIEISA-N 1 0 336.352 -0.398 20 5 EBBDRO CN1CCN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)[C@@H](C[NH3+])C1 ZINC000578130816 375924601 /nfs/dbraw/zinc/92/46/01/375924601.db2.gz HPNFMIBYTNYEKJ-ZDUSSCGKSA-N 1 0 345.363 -0.110 20 5 EBBDRO C[N@@H+]1CC[C@H]2OCCN(C(=O)Cn3cc([N+](=O)[O-])ccc3=O)[C@@H]2C1 ZINC000286017505 375926554 /nfs/dbraw/zinc/92/65/54/375926554.db2.gz ZXIDYPCUMWVPCH-CHWSQXEVSA-N 1 0 336.348 -0.312 20 5 EBBDRO C[N@@H+]1CC[C@H]2OCCN(C(=O)Cn3cc([N+](=O)[O-])ccc3=O)[C@H]2C1 ZINC000286017513 375927489 /nfs/dbraw/zinc/92/74/89/375927489.db2.gz ZXIDYPCUMWVPCH-QWHCGFSZSA-N 1 0 336.348 -0.312 20 5 EBBDRO Cc1cc(C(=O)NCC(=O)N[C@@H](CO)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000588863750 376397223 /nfs/dbraw/zinc/39/72/23/376397223.db2.gz GMTFYMOTKCTXBQ-GFCCVEGCSA-N 1 0 338.364 -0.328 20 5 EBBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](CO)C[NH+](C)C ZINC000588864396 376397879 /nfs/dbraw/zinc/39/78/79/376397879.db2.gz HAIBDLDDCDEURW-CMPLNLGQSA-N 1 0 338.364 -0.248 20 5 EBBDRO CCN(CCC[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)S(C)(=O)=O ZINC000321081882 376589525 /nfs/dbraw/zinc/58/95/25/376589525.db2.gz RVRXUWLEYWMREJ-LBPRGKRZSA-N 1 0 349.413 -0.587 20 5 EBBDRO O=C(NCCN1CC[NH2+]CC1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000125625583 376843564 /nfs/dbraw/zinc/84/35/64/376843564.db2.gz DFZYWSGYQALQFR-UHFFFAOYSA-N 1 0 345.363 -0.190 20 5 EBBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000562961662 377067691 /nfs/dbraw/zinc/06/76/91/377067691.db2.gz LYBYABXLOJFDNO-ZDUSSCGKSA-N 1 0 349.391 -0.346 20 5 EBBDRO CC1(C)CN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC[N@@H+]1CCO ZINC000614894616 377164597 /nfs/dbraw/zinc/16/45/97/377164597.db2.gz HHQUCGJURVGKEW-UHFFFAOYSA-N 1 0 338.364 -0.328 20 5 EBBDRO CNS(=O)(=O)c1ccc(N[C@@H](CO)C[NH+](C)C)c([N+](=O)[O-])c1 ZINC000589101826 377399080 /nfs/dbraw/zinc/39/90/80/377399080.db2.gz NOXRBPONDAQRLY-SECBINFHSA-N 1 0 332.382 -0.163 20 5 EBBDRO CC1CC[NH+](C[C@H](O)CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000563140060 377417898 /nfs/dbraw/zinc/41/78/98/377417898.db2.gz BLCFQISXIFAZQN-CABCVRRESA-N 1 0 341.412 -0.165 20 5 EBBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C[C@@H]2CCCCS2(=O)=O)c1 ZINC000566674214 377601193 /nfs/dbraw/zinc/60/11/93/377601193.db2.gz FNDIDEIZUQDZEB-RYUDHWBXSA-N 1 0 332.382 -0.291 20 5 EBBDRO O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])NCC[NH2+]C1CC1 ZINC000592467938 377837109 /nfs/dbraw/zinc/83/71/09/377837109.db2.gz FFHOHHWRIBQNGQ-UHFFFAOYSA-N 1 0 342.377 -0.259 20 5 EBBDRO [NH3+]CCOCC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000592156173 377800132 /nfs/dbraw/zinc/80/01/32/377800132.db2.gz IRXSSOHWPQWBMH-UHFFFAOYSA-N 1 0 336.348 -0.146 20 5 EBBDRO Cc1nn(C)c(C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)c1[N+](=O)[O-] ZINC000593234658 377877942 /nfs/dbraw/zinc/87/79/42/377877942.db2.gz LHQOIDYUBHDSFE-UHFFFAOYSA-N 1 0 338.368 -0.517 20 5 EBBDRO C[NH+](C)CCN1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)CC1=O ZINC000593234697 377878420 /nfs/dbraw/zinc/87/84/20/377878420.db2.gz MHARYCYNKANTPP-UHFFFAOYSA-N 1 0 338.368 -0.586 20 5 EBBDRO C[NH+](C)CCN1CCN(c2ccc3ncc([N+](=O)[O-])n3n2)CC1=O ZINC000593485643 377886834 /nfs/dbraw/zinc/88/68/34/377886834.db2.gz AJQRSGLSTMTFEB-UHFFFAOYSA-N 1 0 333.352 -0.152 20 5 EBBDRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000592874592 377855630 /nfs/dbraw/zinc/85/56/30/377855630.db2.gz TZHXQKCHCQJQRZ-VIFPVBQESA-N 1 0 337.336 -0.113 20 5 EBBDRO O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000594394617 377936579 /nfs/dbraw/zinc/93/65/79/377936579.db2.gz YOYPNJVYZZFWBL-UONOGXRCSA-N 1 0 348.359 -0.398 20 5 EBBDRO C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000595280479 377990045 /nfs/dbraw/zinc/99/00/45/377990045.db2.gz CVSZYZKNJHIVPJ-JTQLQIEISA-N 1 0 338.368 -0.321 20 5 EBBDRO [NH3+][C@H]1C[C@H](C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000595934711 378034442 /nfs/dbraw/zinc/03/44/42/378034442.db2.gz XQJKLEVACKZUOQ-MGCOHNPYSA-N 1 0 342.377 -0.273 20 5 EBBDRO CC[C@H]([NH2+]C)C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000595924841 378035429 /nfs/dbraw/zinc/03/54/29/378035429.db2.gz QRKRMZGYYJIINI-LBPRGKRZSA-N 1 0 344.393 -0.013 20 5 EBBDRO NS(=O)(=O)c1cccc(NCC[N@@H+]2CC[C@@H](O)C2)c1[N+](=O)[O-] ZINC000599176372 378200888 /nfs/dbraw/zinc/20/08/88/378200888.db2.gz RUEUANYWTIRZJZ-SECBINFHSA-N 1 0 330.366 -0.279 20 5 EBBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N(CC[NH+](C)C)CC(=O)N(C)C ZINC000598186076 378158553 /nfs/dbraw/zinc/15/85/53/378158553.db2.gz KRFCOBRBJVWZLG-UHFFFAOYSA-N 1 0 340.384 -0.422 20 5 EBBDRO CNC(=O)c1ccc(N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000571418640 378550893 /nfs/dbraw/zinc/55/08/93/378550893.db2.gz XGFGODOUDYCOSH-MNOVXSKESA-N 1 0 333.348 -0.297 20 5 EBBDRO CNS(=O)(=O)CC[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000571159493 379089378 /nfs/dbraw/zinc/08/93/78/379089378.db2.gz PWYPAZQEMUPCOC-JTQLQIEISA-N 1 0 333.366 -0.527 20 5 EBBDRO NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCC[N@H+](CCO)CC1 ZINC000265844207 379204664 /nfs/dbraw/zinc/20/46/64/379204664.db2.gz TUANUYCGIOSILN-UHFFFAOYSA-N 1 0 344.393 -0.253 20 5 EBBDRO CN1CCN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)[C@@H](C[NH3+])C1 ZINC000388108475 379204953 /nfs/dbraw/zinc/20/49/53/379204953.db2.gz YPIIXQPOVAHMAD-ZDUSSCGKSA-N 1 0 328.394 -0.001 20 5 EBBDRO O=[N+]([O-])c1cc2c(cc1S(=O)(=O)N[C@@H]1[C@H]3C[NH2+]C[C@H]31)OCCO2 ZINC000366287414 379244072 /nfs/dbraw/zinc/24/40/72/379244072.db2.gz PGEXUFCICKDVEY-BWPRHRIFSA-N 1 0 341.345 -0.138 20 5 EBBDRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2c[nH]nc2[N+](=O)[O-])CC1 ZINC000554887521 379250199 /nfs/dbraw/zinc/25/01/99/379250199.db2.gz HTLZJOBWJVXUHC-NSHDSACASA-N 1 0 336.352 -0.304 20 5 EBBDRO C[C@H](NC(=O)C(=O)N(C)[C@H]1C[NH2+]C[C@@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000418774586 379335404 /nfs/dbraw/zinc/33/54/04/379335404.db2.gz DCGSRSYYGHRFMX-XDTLVQLUSA-N 1 0 336.348 -0.437 20 5 EBBDRO CN(C(=O)C(=O)NCCc1ccc([N+](=O)[O-])cc1)[C@H]1C[NH2+]C[C@@H]1O ZINC000418922570 379338786 /nfs/dbraw/zinc/33/87/86/379338786.db2.gz LCUUJYMDXDNXOW-STQMWFEESA-N 1 0 336.348 -0.955 20 5 EBBDRO [NH3+]C[C@H](NC(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1)C1CCCC1 ZINC000419465374 379340058 /nfs/dbraw/zinc/34/00/58/379340058.db2.gz OWLBZNSIJSHKFA-LBPRGKRZSA-N 1 0 338.368 -0.459 20 5 EBBDRO CN1CC[NH2+]C[C@H]1CNS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000420465267 379353763 /nfs/dbraw/zinc/35/37/63/379353763.db2.gz YKDHBMRAPFJNFU-AWEZNQCLSA-N 1 0 342.421 -0.040 20 5 EBBDRO CO[C@@H](C[NH3+])C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000353174889 379687762 /nfs/dbraw/zinc/68/77/62/379687762.db2.gz WOJNLZHVGYYVOX-VIFPVBQESA-N 1 0 342.377 -0.086 20 5 EBBDRO CCNS(=O)(=O)[C@H]1CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000271362751 379754923 /nfs/dbraw/zinc/75/49/23/379754923.db2.gz PYUIBMMLVNYVIW-RYUDHWBXSA-N 1 0 347.397 -0.834 20 5 EBBDRO CNC(=O)C[C@H](C)[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000271504440 379758162 /nfs/dbraw/zinc/75/81/62/379758162.db2.gz REESGCXTYAZYRF-JTQLQIEISA-N 1 0 344.393 -0.013 20 5 EBBDRO C[C@H]([C@H](C)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)N1CCOCC1 ZINC000580829085 381038744 /nfs/dbraw/zinc/03/87/44/381038744.db2.gz YATPWVFFFNEISR-OUCADQQQSA-N 1 0 327.385 -0.149 20 5 EBBDRO CN1CCN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)[C@H](C[NH3+])C1 ZINC000162267162 381665855 /nfs/dbraw/zinc/66/58/55/381665855.db2.gz ZPDXBEXZSIMVFH-GFCCVEGCSA-N 1 0 345.363 -0.110 20 5 EBBDRO C[NH+](C)C[C@](C)(O)CNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000269902269 381654155 /nfs/dbraw/zinc/65/41/55/381654155.db2.gz TXSLAKVRQNJIJO-GFCCVEGCSA-N 1 0 332.382 -0.033 20 5 EBBDRO C[C@@H]1CN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C[C@H](C)[N@H+]1CCO ZINC000456214828 382045452 /nfs/dbraw/zinc/04/54/52/382045452.db2.gz SKPNFUFJVNCYLK-TXEJJXNPSA-N 1 0 338.364 -0.330 20 5 EBBDRO NS(=O)(=O)NC[C@@H]1CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176226230 154111862 /nfs/dbraw/zinc/11/18/62/154111862.db2.gz GCLFLQOVHKJNDZ-JTQLQIEISA-N 1 0 332.386 -0.704 20 5 EBBDRO O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@H]1CCC[NH2+]1 ZINC000261724524 154197611 /nfs/dbraw/zinc/19/76/11/154197611.db2.gz NTMVKZLSEHSNRG-SNVBAGLBSA-N 1 0 342.377 -0.259 20 5 EBBDRO COc1ccc(S(=O)(=O)NC[C@@H]2C[NH2+]CCO2)c([N+](=O)[O-])c1 ZINC000262054386 154210492 /nfs/dbraw/zinc/21/04/92/154210492.db2.gz DEVCASLYBAIZOS-JTQLQIEISA-N 1 0 331.350 -0.130 20 5 EBBDRO C[C@H]([NH3+])C(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000262247405 154220046 /nfs/dbraw/zinc/22/00/46/154220046.db2.gz RIZKOCYPIIUELT-JTQLQIEISA-N 1 0 342.377 -0.225 20 5 EBBDRO COC[C@H]([NH3+])C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000262351331 154226390 /nfs/dbraw/zinc/22/63/90/154226390.db2.gz UOCAQFXUVVYDDC-ZDUSSCGKSA-N 1 0 336.348 -0.147 20 5 EBBDRO O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[NH2+]C1 ZINC000262503421 154235546 /nfs/dbraw/zinc/23/55/46/154235546.db2.gz DTIIASVBTUCKJA-SNVBAGLBSA-N 1 0 342.377 -0.259 20 5 EBBDRO C[NH2+]CCN(C)C(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000262945868 154251712 /nfs/dbraw/zinc/25/17/12/154251712.db2.gz AUEPVPHDDKHSIL-UHFFFAOYSA-N 1 0 344.393 -0.059 20 5 EBBDRO CN(C)CC[N@H+](C)CCCNC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000290731845 155007576 /nfs/dbraw/zinc/00/75/76/155007576.db2.gz WPWCNFYMYZMBRU-UHFFFAOYSA-N 1 0 339.396 -0.244 20 5 EBBDRO COc1ccc(NC(=O)C(=O)NC[C@H](O)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000360576256 157385463 /nfs/dbraw/zinc/38/54/63/157385463.db2.gz LBWPNSPLLXZCOO-JTQLQIEISA-N 1 0 340.336 -0.419 20 5 EBBDRO CNc1nccc(C(=O)NC[C@@H](C)N2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000569471294 419247434 /nfs/dbraw/zinc/24/74/34/419247434.db2.gz SHHDDZCRSVZPOF-LLVKDONJSA-N 1 0 336.396 0.397 20 5 EBBDRO COC(=O)[C@@H]1CN(C(=O)CCn2cc([N+](=O)[O-])cn2)CC[N@H+](C)C1 ZINC000413913615 419320155 /nfs/dbraw/zinc/32/01/55/419320155.db2.gz FSIMKZQMLBPFLQ-NSHDSACASA-N 1 0 339.352 -0.255 20 5 EBBDRO C[C@@H]1C[NH2+]CCN1C(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000422761723 420921311 /nfs/dbraw/zinc/92/13/11/420921311.db2.gz RMZGGAJKVIPSHY-SNVBAGLBSA-N 1 0 342.377 -0.307 20 5 EBBDRO C[C@H]([NH3+])CCNC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000422775208 420921716 /nfs/dbraw/zinc/92/17/16/420921716.db2.gz AOHKFYOUAWNISW-VIFPVBQESA-N 1 0 330.366 -0.273 20 5 EBBDRO CN(C[C@@H](O)CN1CCOCC1)C(=O)c1cc([N+](=O)[O-])cn1C ZINC000530957974 420927598 /nfs/dbraw/zinc/92/75/98/420927598.db2.gz NYVBEBWULLRBSQ-GFCCVEGCSA-N 1 0 326.353 -0.302 20 5 EBBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000278726999 420937331 /nfs/dbraw/zinc/93/73/31/420937331.db2.gz LBAXXNGCLXYRRV-TXEJJXNPSA-N 1 0 325.321 -0.031 20 5 EBBDRO [NH3+]C1(CNC(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CCC1 ZINC000423504044 265008890 /nfs/dbraw/zinc/00/88/90/265008890.db2.gz FUGCSINYNRTXIO-UHFFFAOYSA-N 1 0 342.377 -0.129 20 5 EBBDRO Cc1cc(C(=O)NCC(=O)N2CCO[C@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000423538447 265010335 /nfs/dbraw/zinc/01/03/35/265010335.db2.gz MWYKODNDRFKRFI-GFCCVEGCSA-N 1 0 336.348 -0.181 20 5 EBBDRO Cn1cnc([N+](=O)[O-])c1CN1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430613370 265150216 /nfs/dbraw/zinc/15/02/16/265150216.db2.gz WBEUMNQRLLAHDA-LBPRGKRZSA-N 1 0 336.396 -0.028 20 5 EBBDRO COCCN(CC[NH+](C)C)C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000438990637 265259868 /nfs/dbraw/zinc/25/98/68/265259868.db2.gz ZJYIGEDIEXFPCL-UHFFFAOYSA-N 1 0 326.353 -0.207 20 5 EBBDRO C[C@H]1CN(C(=O)C(=O)NCCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1[NH3+] ZINC000519690621 265642270 /nfs/dbraw/zinc/64/22/70/265642270.db2.gz LWKNUDOANFPATM-GWCFXTLKSA-N 1 0 336.348 -0.105 20 5 EBBDRO CC[C@H](CO)[NH+]1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000075962718 522210041 /nfs/dbraw/zinc/21/00/41/522210041.db2.gz ADVDWYGOFYLADO-TZMCWYRMSA-N 1 0 327.385 -0.459 20 5 EBBDRO CCS(=O)(=O)N(C)CCC[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000610335979 545681230 /nfs/dbraw/zinc/68/12/30/545681230.db2.gz ZIQRLUQYGMJUKV-GFCCVEGCSA-N 1 0 349.413 -0.587 20 5 EBBDRO COC(=O)N1CCC[C@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000819003304 583753909 /nfs/dbraw/zinc/75/39/09/583753909.db2.gz OFSRTHPXAFCFOM-JQWIXIFHSA-N 1 0 327.341 -0.027 20 5 EBBDRO C[NH+](C)C[C@H]1CN(c2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])CCO1 ZINC000821584896 583794271 /nfs/dbraw/zinc/79/42/71/583794271.db2.gz WZHONLFONDMKAD-VIFPVBQESA-N 1 0 334.340 -0.063 20 5 EBBDRO CN(C)S(=O)(=O)N1CC([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000863586440 584374010 /nfs/dbraw/zinc/37/40/10/584374010.db2.gz ABEMUEWMDWCYRL-CYBMUJFWSA-N 1 0 344.393 -0.292 20 5 EBBDRO O=C(C[NH+]1CCCC1)N1[C@@H]2CC[C@H]1CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C2 ZINC000969059466 725145918 /nfs/dbraw/zinc/14/59/18/725145918.db2.gz LJYCJGWZXCHRBQ-XJFOESAGSA-N 1 0 336.392 -0.051 20 5 EBBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC([NH2+]Cc2nnnn2C2CC2)CC1 ZINC000996428494 726392202 /nfs/dbraw/zinc/39/22/02/726392202.db2.gz FVUGQPANVFYQOK-VXGBXAGGSA-N 1 0 335.368 -0.246 20 5 EBBDRO Cc1nnc(CC(=O)N[C@H]2C[C@H]([NH2+]Cc3c([N+](=O)[O-])ncn3C)C2)o1 ZINC001020128250 729079307 /nfs/dbraw/zinc/07/93/07/729079307.db2.gz MLSMDZBRRXZBPL-MGCOHNPYSA-N 1 0 349.351 -0.001 20 5 EBBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1C[C@@H](NC(=O)Cn2nccn2)C1 ZINC001022141053 729459467 /nfs/dbraw/zinc/45/94/67/729459467.db2.gz AJINYXVFCZAHNR-AOOOYVTPSA-N 1 0 334.340 -0.643 20 5 EBBDRO CN(CCCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)COCC[NH+](C)C ZINC001067385546 740128289 /nfs/dbraw/zinc/12/82/89/740128289.db2.gz GKMZAKBWKBWCMM-CHWSQXEVSA-N 1 0 344.412 -0.463 20 5 EBBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]C[C@@H]1C[C@@H](NC(=O)c2nnn(C)n2)C1 ZINC000984596552 807351180 /nfs/dbraw/zinc/35/11/80/807351180.db2.gz VZGQVRVHXUNWJR-KYZUINATSA-N 1 0 349.355 -0.850 20 5 EBBDRO CC1CC[NH+](CC(=O)N2CC(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CC1 ZINC001001806680 809680516 /nfs/dbraw/zinc/68/05/16/809680516.db2.gz MEFLMTLGENDEBJ-ZIAGYGMSSA-N 1 0 338.408 -0.042 20 5 EBBDRO C[N+](C)(C)C[C@H](O)CC(=O)OCC1CCN(S(C)(=O)=O)CC1 ZINC001225045503 811789178 /nfs/dbraw/zinc/78/91/78/811789178.db2.gz XEKWZPXSIBBJMN-CYBMUJFWSA-N 1 0 337.462 -0.342 20 5 EBBDRO CCOCC[NH+]1CCN(CCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001267607751 813951586 /nfs/dbraw/zinc/95/15/86/813951586.db2.gz TVJSJSIBOIZEII-ZIAGYGMSSA-N 1 0 328.413 -0.236 20 5 EBBDRO CS(=O)(=O)NCC[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCCC1 ZINC001270743717 815874398 /nfs/dbraw/zinc/87/43/98/815874398.db2.gz VLSBSJWPIAEXTQ-GHMZBOCLSA-N 1 0 348.425 -0.781 20 5 EBBDRO CN(CCCNC(=O)CC[NH+](C)C)c1ncc([N+](=O)[O-])c(N)n1 ZINC001095732070 818678471 /nfs/dbraw/zinc/67/84/71/818678471.db2.gz KGBXFEYQUWZCSC-UHFFFAOYSA-N 1 0 325.373 -0.139 20 5 EBBDRO CN(CCNC(=O)C1(C[NH+](C)C)CC1)c1ncc([N+](=O)[O-])c(N)n1 ZINC001100287891 820345976 /nfs/dbraw/zinc/34/59/76/820345976.db2.gz HLKJFIBNRJJSEO-UHFFFAOYSA-N 1 0 337.384 -0.139 20 5 EBBDRO C[N@@H+]1CC[C@@H]1CNC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC001303901069 821761596 /nfs/dbraw/zinc/76/15/96/821761596.db2.gz YRNCYMNBNQCYEF-SNVBAGLBSA-N 1 0 342.377 -0.307 20 5 EBBDRO CS(=O)(=O)NCCC(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001128601070 828483217 /nfs/dbraw/zinc/48/32/17/828483217.db2.gz JOMDQEFURUICSS-UHFFFAOYSA-N 1 0 344.393 -0.260 20 5 EBBDRO COCCC[N@H+](C)CCNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC001116342513 826614543 /nfs/dbraw/zinc/61/45/43/826614543.db2.gz PLWPYJXUHRMRDD-UHFFFAOYSA-N 1 0 326.353 -0.159 20 5 EBBDRO O=C(NCCN1CC[NH2+]CC1)C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001117981259 826834311 /nfs/dbraw/zinc/83/43/11/826834311.db2.gz SSFISJHPXMDCKC-UHFFFAOYSA-N 1 0 347.375 -0.542 20 5 EBBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@@H]2COC3(CCOCC3)O2)c1 ZINC001118149357 826860169 /nfs/dbraw/zinc/86/01/69/826860169.db2.gz DJWOIJAQSMNBSH-CHWSQXEVSA-N 1 0 342.352 -0.336 20 5 EBBDRO NC(=O)c1cn(C2CC[NH+](CCn3cc([N+](=O)[O-])cn3)CC2)nn1 ZINC001118844027 827007560 /nfs/dbraw/zinc/00/75/60/827007560.db2.gz CKFXKLFXMCVDCV-UHFFFAOYSA-N 1 0 334.340 -0.181 20 5 EBBDRO O=C(C[NH2+]CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])N1CCc2ccccc2C1 ZINC001126948823 828235233 /nfs/dbraw/zinc/23/52/33/828235233.db2.gz IYSPDGRIMACDHN-HUUCEWRRSA-N 1 0 346.387 -0.058 20 5 EBBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCCNC(=O)C1=COCCO1 ZINC001154362606 831327814 /nfs/dbraw/zinc/32/78/14/831327814.db2.gz XRCYADWPAULSKB-UHFFFAOYSA-N 1 0 325.325 -0.188 20 5 EBBDRO O=C(C[NH2+]CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Nc1nccs1 ZINC001157760979 831590759 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1 0 331.340 -0.213 20 5 EBBDRO O=C(CCNc1ncnc(C2C[NH2+]C2)c1[N+](=O)[O-])N1CCOCC1 ZINC001161976907 832007208 /nfs/dbraw/zinc/00/72/08/832007208.db2.gz HTPLKYIGJQGKKV-UHFFFAOYSA-N 1 0 336.352 -0.268 20 5 EBBDRO COC(=O)C(C(=O)OC)c1ncc(N2CC[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC001164280623 832179854 /nfs/dbraw/zinc/17/98/54/832179854.db2.gz BPEYVJWRFMWVTP-QMMMGPOBSA-N 1 0 338.320 -0.043 20 5 EBBDRO O=C1NCCN(c2nc(Cl)nc(Cl)c2[N+](=O)[O-])C12C[NH2+]C2 ZINC001165298736 832211992 /nfs/dbraw/zinc/21/19/92/832211992.db2.gz UYCLVPUAEQUUCF-UHFFFAOYSA-N 1 0 333.135 -0.030 20 5 EBBDRO O=[N+]([O-])c1cc[n+]([O-])c(N2Cc3ncnn3C3(CC[NH2+]CC3)C2)c1 ZINC001165310810 832215073 /nfs/dbraw/zinc/21/50/73/832215073.db2.gz XPPYPENBLLYEQR-UHFFFAOYSA-N 1 0 331.336 -0.081 20 5 EBBDRO COc1ncnc(N2CCCO[C@@]3(C[NH2+]CCOC3)C2)c1[N+](=O)[O-] ZINC001165342478 832216483 /nfs/dbraw/zinc/21/64/83/832216483.db2.gz WNJUBILNLIVHCF-AWEZNQCLSA-N 1 0 339.352 -0.021 20 5 EBBDRO CN1CCN(C)CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC001351735926 832275477 /nfs/dbraw/zinc/27/54/77/832275477.db2.gz VMQXEVZUFMAERT-CQSZACIVSA-N 1 0 326.401 -0.669 20 5 EBBDRO COC(=O)C[C@H]1CN(c2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)CCO1 ZINC001166835130 832292750 /nfs/dbraw/zinc/29/27/50/832292750.db2.gz RUBYNXWFOQLRHT-JTQLQIEISA-N 1 0 337.336 -0.160 20 5 EBBDRO COC(=O)c1cnc(N(C2C[NH2+]C2)S(C)(=O)=O)c([N+](=O)[O-])c1 ZINC001166966877 832303424 /nfs/dbraw/zinc/30/34/24/832303424.db2.gz JZIYFCMTTVPAPW-UHFFFAOYSA-N 1 0 330.322 -0.486 20 5 EBBDRO COC(=O)c1cc([N+](=O)[O-])cnc1N(C1C[NH2+]C1)S(C)(=O)=O ZINC001166968667 832304561 /nfs/dbraw/zinc/30/45/61/832304561.db2.gz ZWKJHNUKNANSFX-UHFFFAOYSA-N 1 0 330.322 -0.486 20 5 EBBDRO O=C1COC[C@H]2CN(c3ncc([N+](=O)[O-])c(C4C[NH2+]C4)n3)CCN12 ZINC001167229509 832319391 /nfs/dbraw/zinc/31/93/91/832319391.db2.gz SXFHZRRGHOICLG-SNVBAGLBSA-N 1 0 334.336 -0.881 20 5 EBBDRO CNC(=O)CN1CCO[C@H]2C[N@@H+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)C[C@H]21 ZINC001169026639 832444170 /nfs/dbraw/zinc/44/41/70/832444170.db2.gz YFUDWCJIKOLSDZ-RQJABVFESA-N 1 0 326.397 -0.437 20 5 EBBDRO O=C1NCC2(CCOCC2)[C@H]1[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001176504881 832676459 /nfs/dbraw/zinc/67/64/59/832676459.db2.gz IXGPWCZGBUASDK-RYUDHWBXSA-N 1 0 339.352 -0.963 20 5 EBBDRO O=[N+]([O-])c1cnn(C[C@H](O)CN2CC[NH+](CCCCCO)CC2)c1 ZINC001196554035 835432037 /nfs/dbraw/zinc/43/20/37/835432037.db2.gz IBHSNNNKJIEMSG-OAHLLOKOSA-N 1 0 341.412 -0.068 20 5 EBBDRO CS(=O)(=O)CCC[NH2+]CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001205230353 836555038 /nfs/dbraw/zinc/55/50/38/836555038.db2.gz OHEMPFFXICVQBM-CHWSQXEVSA-N 1 0 347.437 -0.086 20 5 EBBDRO COCC(=O)NC1CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC001318853838 838040316 /nfs/dbraw/zinc/04/03/16/838040316.db2.gz PTGLUQVILHFXJE-CYBMUJFWSA-N 1 0 341.368 -0.621 20 5 EBBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CCCN2CCC(O)CC2)c1 ZINC001326232269 840067559 /nfs/dbraw/zinc/06/75/59/840067559.db2.gz OKIHGZBCPXSSTP-CQSZACIVSA-N 1 0 327.385 -0.411 20 5 EBBDRO O=C(NCC[NH2+]C1CC1)C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC001327505535 840438217 /nfs/dbraw/zinc/43/82/17/840438217.db2.gz SQXZZSXQLAVHNW-UHFFFAOYSA-N 1 0 336.348 -0.042 20 5 EBBDRO CN(CC[NH2+]Cc1c([N+](=O)[O-])ncn1C)C(=O)CN1CCOCC1 ZINC001481222739 1125947736 /nfs/dbraw/zinc/94/77/36/1125947736.db2.gz HOJCLIWXVZDGFK-UHFFFAOYSA-N 1 0 340.384 -0.792 20 5 EBBDRO CN(CC[NH2+]Cc1c([N+](=O)[O-])ncn1C)C(=O)Cn1ccccc1=O ZINC001691597386 1126324206 /nfs/dbraw/zinc/32/42/06/1126324206.db2.gz CCWHUCFYIOHHQJ-UHFFFAOYSA-N 1 0 348.363 -0.262 20 5 EBBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N(CCO)CC[NH2+]Cc1cncc(F)c1 ZINC001484482888 1126592196 /nfs/dbraw/zinc/59/21/96/1126592196.db2.gz YVULPBWJRBFNBZ-CHWSQXEVSA-N 1 0 326.328 -0.204 20 5 EBBDRO O=C(NC1C[NH2+]C1)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000577608668 375885902 /nfs/dbraw/zinc/88/59/02/375885902.db2.gz SLGUQKNCIWHBQU-UHFFFAOYSA-N 1 0 333.348 -0.669 20 5 EBBDRO CC[NH+](CC)CC[C@@H](CO)NC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000535835082 375943621 /nfs/dbraw/zinc/94/36/21/375943621.db2.gz HBFPDTRAAIYOFR-LBPRGKRZSA-N 1 0 340.380 -0.035 20 5 EBBDRO O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N[C@H](CO)C[NH+]1CCCCC1 ZINC000361130832 376303216 /nfs/dbraw/zinc/30/32/16/376303216.db2.gz HGFYHCDWJGFYRR-LBPRGKRZSA-N 1 0 338.364 -0.281 20 5 EBBDRO C[NH+](C)C[C@](C)(O)CNc1cccc([N+](=O)[O-])c1S(N)(=O)=O ZINC000611032058 376413941 /nfs/dbraw/zinc/41/39/41/376413941.db2.gz LQQGCWSDTFKTSK-GFCCVEGCSA-N 1 0 332.382 -0.033 20 5 EBBDRO CCn1cc(S(=O)(=O)N2C[C@H]3C[N@H+](C)C[C@H]3C2)c([N+](=O)[O-])n1 ZINC000408357740 376872483 /nfs/dbraw/zinc/87/24/83/376872483.db2.gz CIPJRYNVAFBCAO-AOOOYVTPSA-N 1 0 329.382 -0.007 20 5 EBBDRO CC[C@@H](CNS(C)(=O)=O)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000570794725 377282809 /nfs/dbraw/zinc/28/28/09/377282809.db2.gz FVYJDXMZHDPGDZ-ONGXEEELSA-N 1 0 335.386 -0.930 20 5 EBBDRO [NH3+][C@@H]1C[C@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])s3)CCN2C1=O ZINC000580097030 377354412 /nfs/dbraw/zinc/35/44/12/377354412.db2.gz XUZAJGWYQKAMBA-JGVFFNPUSA-N 1 0 346.390 -0.411 20 5 EBBDRO [NH3+][C@H]1C[C@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])s3)CCN2C1=O ZINC000580097032 377355738 /nfs/dbraw/zinc/35/57/38/377355738.db2.gz XUZAJGWYQKAMBA-YUMQZZPRSA-N 1 0 346.390 -0.411 20 5 EBBDRO CC1(C)COCCN1CC[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000565828470 377453282 /nfs/dbraw/zinc/45/32/82/377453282.db2.gz QXNBBFCVESCTKF-ZDUSSCGKSA-N 1 0 327.385 -0.147 20 5 EBBDRO COc1ccc(CC(=O)NCC(=O)N2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000565711214 377453421 /nfs/dbraw/zinc/45/34/21/377453421.db2.gz SVJAWDMGSZKBRH-UHFFFAOYSA-N 1 0 336.348 -0.306 20 5 EBBDRO CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000580715552 377401009 /nfs/dbraw/zinc/40/10/09/377401009.db2.gz IRGMKQHDPAOIOF-AWEZNQCLSA-N 1 0 335.364 -0.026 20 5 EBBDRO C[NH+](C)C[C@H](CO)NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000590369302 377479895 /nfs/dbraw/zinc/47/98/95/377479895.db2.gz BOPKXBQLGSTLID-SNVBAGLBSA-N 1 0 334.336 -0.172 20 5 EBBDRO O=C1C[C@@H]([NH2+]CCn2ncnn2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000566411736 377528850 /nfs/dbraw/zinc/52/88/50/377528850.db2.gz JNVXQCYLJYKRRZ-LLVKDONJSA-N 1 0 331.292 -0.497 20 5 EBBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000590585571 377637320 /nfs/dbraw/zinc/63/73/20/377637320.db2.gz FEODKGFBSKIZLM-QWRGUYRKSA-N 1 0 345.377 -0.101 20 5 EBBDRO [NH3+]CCOCC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000592020917 377785048 /nfs/dbraw/zinc/78/50/48/377785048.db2.gz JBFBHICYJRHTOE-UHFFFAOYSA-N 1 0 342.377 -0.084 20 5 EBBDRO COC(=O)[C@@H]1C[C@H](O)C[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000592195138 377802282 /nfs/dbraw/zinc/80/22/82/377802282.db2.gz JIWWVNGWOXGMAC-PWSUYJOCSA-N 1 0 325.321 -0.388 20 5 EBBDRO CCn1cc(S(=O)(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)c([N+](=O)[O-])n1 ZINC000592374287 377821253 /nfs/dbraw/zinc/82/12/53/377821253.db2.gz KESOQTQPBJTWDD-IUCAKERBSA-N 1 0 333.370 -0.452 20 5 EBBDRO O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])N[C@H]1CC[NH2+]C1 ZINC000592463641 377833246 /nfs/dbraw/zinc/83/32/46/377833246.db2.gz IBLQNEXYRAUQIG-VIFPVBQESA-N 1 0 328.350 -0.649 20 5 EBBDRO COC(=O)[C@H]1C[NH2+]CCCN1C(=O)CCn1cc([N+](=O)[O-])nc1C ZINC000592554837 377844616 /nfs/dbraw/zinc/84/46/16/377844616.db2.gz NDBABDJWFGYVHI-LLVKDONJSA-N 1 0 339.352 -0.147 20 5 EBBDRO O=C(N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000593902376 377920999 /nfs/dbraw/zinc/92/09/99/377920999.db2.gz RXJBXLJRQOTBPI-LRDDRELGSA-N 1 0 347.375 -0.126 20 5 EBBDRO [NH3+][C@@H]1C[C@H]2CN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CCN2C1=O ZINC000594876029 377964977 /nfs/dbraw/zinc/96/49/77/377964977.db2.gz ZTMGSWYBVFLXQA-CMPLNLGQSA-N 1 0 340.361 -0.473 20 5 EBBDRO CN(C)C(=O)N(C)[C@@H]1CC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000595826887 378029114 /nfs/dbraw/zinc/02/91/14/378029114.db2.gz PNHSOACLYIHHQQ-DGCLKSJQSA-N 1 0 340.384 -0.160 20 5 EBBDRO [NH3+]CCN(Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C[C@H](O)CO ZINC000595901203 378034570 /nfs/dbraw/zinc/03/45/70/378034570.db2.gz DNRYPBUDPVTJHT-LBPRGKRZSA-N 1 0 337.336 -0.241 20 5 EBBDRO C[NH+]1CCN(CCNc2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CC1 ZINC000596063640 378052645 /nfs/dbraw/zinc/05/26/45/378052645.db2.gz XRFGHLIMKXYNQF-UHFFFAOYSA-N 1 0 343.409 -0.099 20 5 EBBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000567611690 378164220 /nfs/dbraw/zinc/16/42/20/378164220.db2.gz CPIMVGBKMLZGTE-SNVBAGLBSA-N 1 0 338.368 -0.212 20 5 EBBDRO C[NH+](C)C[C@@H](CO)Nc1ncnc(N2CCOCC2)c1[N+](=O)[O-] ZINC000598626057 378173567 /nfs/dbraw/zinc/17/35/67/378173567.db2.gz YPFMNQUCXDBAGF-JTQLQIEISA-N 1 0 326.357 -0.444 20 5 EBBDRO O=C(N[C@@H]1CC[NH2+]C1)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000599971562 378288324 /nfs/dbraw/zinc/28/83/24/378288324.db2.gz LFVIWEBXMLSCSX-LLVKDONJSA-N 1 0 348.363 -0.884 20 5 EBBDRO CC(C)(C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1)n1cc([N+](=O)[O-])cn1 ZINC000569002093 378445580 /nfs/dbraw/zinc/44/55/80/378445580.db2.gz XCZWDPYBZJNVIP-GXSJLCMTSA-N 1 0 336.352 -0.703 20 5 EBBDRO CN(C(=O)CN1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000570412253 378509906 /nfs/dbraw/zinc/50/99/06/378509906.db2.gz WYXCQIMHNMPNKT-KGLIPLIRSA-N 1 0 347.375 -0.199 20 5 EBBDRO O=C(CN1CC[NH2+]CC1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000325004922 378538315 /nfs/dbraw/zinc/53/83/15/378538315.db2.gz AQXIGOLOFPXJBF-UHFFFAOYSA-N 1 0 334.380 -0.456 20 5 EBBDRO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000572000531 378566043 /nfs/dbraw/zinc/56/60/43/378566043.db2.gz WWINRVOWMKXLNK-GHMZBOCLSA-N 1 0 340.384 -0.068 20 5 EBBDRO COCC[N@@H+]1CCC[C@H]1CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000069501404 379084601 /nfs/dbraw/zinc/08/46/01/379084601.db2.gz ASKCVTAGHONBTL-LBPRGKRZSA-N 1 0 338.364 -0.017 20 5 EBBDRO O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@H]1CCC[NH2+]1 ZINC000070807966 379088610 /nfs/dbraw/zinc/08/86/10/379088610.db2.gz JVFIDSSSZAXYAK-GFCCVEGCSA-N 1 0 342.377 -0.259 20 5 EBBDRO C[C@H](NC(=O)C(=O)N(C)[C@H]1C[NH2+]C[C@@H]1O)c1ccccc1[N+](=O)[O-] ZINC000419149711 379337009 /nfs/dbraw/zinc/33/70/09/379337009.db2.gz LDXOAGWMAOWBGZ-XDTLVQLUSA-N 1 0 336.348 -0.437 20 5 EBBDRO CN1CC[NH2+]C[C@@H]1CNS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000420448436 379353205 /nfs/dbraw/zinc/35/32/05/379353205.db2.gz DVFHUKPZBASUCQ-CYBMUJFWSA-N 1 0 342.421 -0.040 20 5 EBBDRO CCn1cc(S(=O)(=O)NCCN2CC[NH+](C)CC2)c([N+](=O)[O-])n1 ZINC000353104762 379687398 /nfs/dbraw/zinc/68/73/98/379687398.db2.gz DETGMUOMFZMKEM-UHFFFAOYSA-N 1 0 346.413 -0.663 20 5 EBBDRO O=C(CNC(=O)NCc1ccc([N+](=O)[O-])cc1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000495101694 379692648 /nfs/dbraw/zinc/69/26/48/379692648.db2.gz HFUWYXDEODOKFC-IMRBUKKESA-N 1 0 333.348 -0.272 20 5 EBBDRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000355338296 379718056 /nfs/dbraw/zinc/71/80/56/379718056.db2.gz RMIQTVUKRXNUSY-NSHDSACASA-N 1 0 326.357 -0.245 20 5 EBBDRO COc1cc[nH+]c(N2CCN(C(=O)Cn3cnc([N+](=O)[O-])n3)CC2)c1 ZINC000354954827 379710469 /nfs/dbraw/zinc/71/04/69/379710469.db2.gz WZEKPLVVOSQJBE-UHFFFAOYSA-N 1 0 347.335 -0.061 20 5 EBBDRO NC(=O)c1ccc(Cn2cnc3c(c2=O)CC[NH2+]CC3)c([N+](=O)[O-])c1 ZINC000578503772 380935736 /nfs/dbraw/zinc/93/57/36/380935736.db2.gz MOBWIWSJPRJFPN-UHFFFAOYSA-N 1 0 343.343 -0.013 20 5 EBBDRO C[NH2+][C@@H](C)C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000583882309 381193725 /nfs/dbraw/zinc/19/37/25/381193725.db2.gz BNYDRVKFZZCFDU-VIFPVBQESA-N 1 0 330.366 -0.403 20 5 EBBDRO CC(C)(CC[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)S(C)(=O)=O ZINC000575116724 381455112 /nfs/dbraw/zinc/45/51/12/381455112.db2.gz KKLHBVSSYUAMKJ-LLVKDONJSA-N 1 0 334.398 -0.045 20 5 EBBDRO [NH3+][C@H]1C[C@@H]2CN(c3cc4nc[nH]c(=O)c4cc3[N+](=O)[O-])CCN2C1=O ZINC000580465405 381759238 /nfs/dbraw/zinc/75/92/38/381759238.db2.gz HNOYPPMGPXGNJS-SCZZXKLOSA-N 1 0 344.331 -0.008 20 5 EBBDRO Nc1nc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)ncc1[N+](=O)[O-] ZINC000301183550 155168623 /nfs/dbraw/zinc/16/86/23/155168623.db2.gz IRCCCLKHKKKVMC-UHFFFAOYSA-N 1 0 335.368 -0.289 20 5 EBBDRO [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000193687546 154161615 /nfs/dbraw/zinc/16/16/15/154161615.db2.gz RBQLDMPAEDARIR-NSHDSACASA-N 1 0 338.368 -0.363 20 5 EBBDRO C[C@@H](C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@H](C)[NH3+] ZINC000262529673 154237190 /nfs/dbraw/zinc/23/71/90/154237190.db2.gz MWYQKXJAOFZSTC-ZJUUUORDSA-N 1 0 344.393 -0.027 20 5 EBBDRO CC(C)[C@H]([NH3+])C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000262718204 154243992 /nfs/dbraw/zinc/24/39/92/154243992.db2.gz XIFIPAFSBPTZRU-LBPRGKRZSA-N 1 0 344.393 -0.027 20 5 EBBDRO CNC(=O)C[C@H](C)[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000268795930 154425874 /nfs/dbraw/zinc/42/58/74/154425874.db2.gz DNKFWIUSDWQYOQ-JTQLQIEISA-N 1 0 344.393 -0.013 20 5 EBBDRO CC(C)[C@@H]([NH3+])C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000269075637 154433646 /nfs/dbraw/zinc/43/36/46/154433646.db2.gz XIFIPAFSBPTZRU-GFCCVEGCSA-N 1 0 344.393 -0.027 20 5 EBBDRO Nc1c(C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cc(F)cc1[N+](=O)[O-] ZINC000516982167 419090583 /nfs/dbraw/zinc/09/05/83/419090583.db2.gz WNOGBKRXDLVZEX-WPRPVWTQSA-N 1 0 337.311 -0.300 20 5 EBBDRO C[C@@H](NC(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+])c1ccccc1[N+](=O)[O-] ZINC000516856911 419090808 /nfs/dbraw/zinc/09/08/08/419090808.db2.gz LABKHXKJJYEWQR-NEPJUHHUSA-N 1 0 349.391 -0.127 20 5 EBBDRO Nc1c(C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cc(F)cc1[N+](=O)[O-] ZINC000516982164 419091506 /nfs/dbraw/zinc/09/15/06/419091506.db2.gz WNOGBKRXDLVZEX-PSASIEDQSA-N 1 0 337.311 -0.300 20 5 EBBDRO C[NH+](C)[C@H]1CN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H]1O ZINC000518061596 419274351 /nfs/dbraw/zinc/27/43/51/419274351.db2.gz ASBGVHNTORPHSA-SNPRPXQTSA-N 1 0 325.365 -0.059 20 5 EBBDRO COC(=O)[C@H]1CN(C(=O)CCn2cc([N+](=O)[O-])cn2)CC[N@H+](C)C1 ZINC000413913614 419320595 /nfs/dbraw/zinc/32/05/95/419320595.db2.gz FSIMKZQMLBPFLQ-LLVKDONJSA-N 1 0 339.352 -0.255 20 5 EBBDRO [NH3+][C@H]1C[C@H]2CN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CCN2C1=O ZINC000522014226 420898659 /nfs/dbraw/zinc/89/86/59/420898659.db2.gz LUWLRZCFESGUPF-UWVGGRQHSA-N 1 0 340.361 -0.473 20 5 EBBDRO O=C(NC[C@H]1CC[NH2+]C1)C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000419917590 420907548 /nfs/dbraw/zinc/90/75/48/420907548.db2.gz HIFNJYBFCGPSED-NSHDSACASA-N 1 0 348.359 -0.090 20 5 EBBDRO C[NH2+]C[C@@H](C)CNC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000422826447 420920985 /nfs/dbraw/zinc/92/09/85/420920985.db2.gz LNLANCAZHXFWRK-SNVBAGLBSA-N 1 0 344.393 -0.155 20 5 EBBDRO COc1cc(S(=O)(=O)NC[C@H]2C[NH2+]CCN2C)ccc1[N+](=O)[O-] ZINC000420463453 420912865 /nfs/dbraw/zinc/91/28/65/420912865.db2.gz WMXHIVVVDDTGBM-SNVBAGLBSA-N 1 0 344.393 -0.215 20 5 EBBDRO [NH3+]C[C@H]1CCCN1C(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000422883594 420921401 /nfs/dbraw/zinc/92/14/01/420921401.db2.gz QUSGCSHUDFTYGD-SNVBAGLBSA-N 1 0 342.377 -0.177 20 5 EBBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@](C)(O)CN1CCOCC1 ZINC000530719944 420927514 /nfs/dbraw/zinc/92/75/14/420927514.db2.gz SLJRZJNWVBMBHE-AWEZNQCLSA-N 1 0 326.353 -0.254 20 5 EBBDRO C[C@H]([NH3+])C(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000489920885 420939746 /nfs/dbraw/zinc/93/97/46/420939746.db2.gz DBGGQOMKUSIBLB-JTQLQIEISA-N 1 0 342.377 -0.225 20 5 EBBDRO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000494715845 420944714 /nfs/dbraw/zinc/94/47/14/420944714.db2.gz ASZAUOYXOHCKSE-CMPLNLGQSA-N 1 0 347.397 -0.834 20 5 EBBDRO CNc1nccc(C(=O)N2CC[C@@H]([N@@H+]3CC[C@@H](O)C3)C2)c1[N+](=O)[O-] ZINC000599938705 421220673 /nfs/dbraw/zinc/22/06/73/421220673.db2.gz FDFGTZYZVDDVFH-GHMZBOCLSA-N 1 0 335.364 0.313 20 5 EBBDRO CNc1nccc(C(=O)N[C@H](C)C(=O)NCC[NH+](C)C)c1[N+](=O)[O-] ZINC000569707711 421220896 /nfs/dbraw/zinc/22/08/96/421220896.db2.gz JPOXMFVXSAUABM-SECBINFHSA-N 1 0 338.368 -0.172 20 5 EBBDRO O=C(NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CC[NH2+]CC1 ZINC000418018746 264820770 /nfs/dbraw/zinc/82/07/70/264820770.db2.gz JGIWFOLPDDTQMV-UHFFFAOYSA-N 1 0 342.377 -0.017 20 5 EBBDRO Cc1cc(C(=O)NCC(=O)NC[C@@H]2C[NH2+]CCO2)ccc1[N+](=O)[O-] ZINC000423991293 265046883 /nfs/dbraw/zinc/04/68/83/265046883.db2.gz LNENDKMSKNYFPS-LBPRGKRZSA-N 1 0 336.348 -0.262 20 5 EBBDRO O=C(NCCn1cc([N+](=O)[O-])cn1)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000424165246 265049374 /nfs/dbraw/zinc/04/93/74/265049374.db2.gz AKMKBMAMELPEEN-JTQLQIEISA-N 1 0 334.340 -0.263 20 5 EBBDRO Cn1cc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])c(=O)n(C)c1=O ZINC000289942978 294233225 /nfs/dbraw/zinc/23/32/25/294233225.db2.gz XGIRNFICUUZDRV-UHFFFAOYSA-N 1 0 333.348 -0.043 20 5 EBBDRO O=C(NC[C@H]1C[NH2+]CCO1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000517358433 545770985 /nfs/dbraw/zinc/77/09/85/545770985.db2.gz AGPZXBLZKSPXFY-LLVKDONJSA-N 1 0 332.320 -0.106 20 5 EBBDRO CCS(=O)(=O)N(C)CCC[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000610335980 582546429 /nfs/dbraw/zinc/54/64/29/582546429.db2.gz ZIQRLUQYGMJUKV-LBPRGKRZSA-N 1 0 349.413 -0.587 20 5 EBBDRO CN1CCN(C(=O)N2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)CC1 ZINC000896230506 582660523 /nfs/dbraw/zinc/66/05/23/582660523.db2.gz ZRXCVMMHZKTTII-VXGBXAGGSA-N 1 0 325.369 -0.837 20 5 EBBDRO C[N@@H+](CC(=O)NCc1ccco1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000743839905 583087860 /nfs/dbraw/zinc/08/78/60/583087860.db2.gz JEKAEZHTVCCDCZ-GFCCVEGCSA-N 1 0 337.336 -0.007 20 5 EBBDRO O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)NCC(=O)N1CC[NH2+]CC1 ZINC000818562189 583745532 /nfs/dbraw/zinc/74/55/32/583745532.db2.gz TWZBBKOOXTZZPW-UHFFFAOYSA-N 1 0 346.347 -0.508 20 5 EBBDRO CCNS(=O)(=O)CC[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000819043208 583754210 /nfs/dbraw/zinc/75/42/10/583754210.db2.gz QDFVSBHCKGBRBO-NSHDSACASA-N 1 0 347.393 -0.137 20 5 EBBDRO C[N@@H+]1CCO[C@@H]2CN(c3nccc(-c4nn[nH]n4)c3[N+](=O)[O-])C[C@H]21 ZINC000821628289 583796627 /nfs/dbraw/zinc/79/66/27/583796627.db2.gz FIEDJYUOACJYNE-NXEZZACHSA-N 1 0 332.324 -0.311 20 5 EBBDRO C[N@@H+]1CCO[C@H]2CN(c3nccc(-c4nn[nH]n4)c3[N+](=O)[O-])C[C@@H]21 ZINC000821628290 583796640 /nfs/dbraw/zinc/79/66/40/583796640.db2.gz FIEDJYUOACJYNE-UWVGGRQHSA-N 1 0 332.324 -0.311 20 5 EBBDRO C[NH2+]CCNC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000842231288 584061380 /nfs/dbraw/zinc/06/13/80/584061380.db2.gz IIBXGSWFGOCFNV-UHFFFAOYSA-N 1 0 335.364 -0.421 20 5 EBBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H](CO)CN2CCOCC2)c1 ZINC000843116984 584071634 /nfs/dbraw/zinc/07/16/34/584071634.db2.gz XMMLHSMKEZUJGL-UKRRQHHQSA-N 1 0 325.365 -0.089 20 5 EBBDRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000855695110 584262953 /nfs/dbraw/zinc/26/29/53/584262953.db2.gz HDXALXWPKQOOJV-UHFFFAOYSA-N 1 0 338.368 -0.336 20 5 EBBDRO CN1CCN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000124986076 584482157 /nfs/dbraw/zinc/48/21/57/584482157.db2.gz IDZCRVPASQCTRC-SECBINFHSA-N 1 0 332.357 -0.003 20 5 EBBDRO CN1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@@H]1CO ZINC000931404355 651630903 /nfs/dbraw/zinc/63/09/03/651630903.db2.gz WXLUAKQUHBBALE-CHWSQXEVSA-N 1 0 325.365 -0.057 20 5 EBBDRO Cn1cncc1CC(=O)N1CCC(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000949176825 653823235 /nfs/dbraw/zinc/82/32/35/653823235.db2.gz BJXQAUSSOIDXSM-ZIAGYGMSSA-N 1 0 349.391 -0.017 20 5 EBBDRO Cc1nnc(CC(=O)N[C@H]2C[C@H]([NH2+]Cc3c([N+](=O)[O-])ncn3C)C2)[nH]1 ZINC001020133333 729080555 /nfs/dbraw/zinc/08/05/55/729080555.db2.gz PMEBDRKEWVDZRQ-MGCOHNPYSA-N 1 0 348.367 -0.266 20 5 EBBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1C[C@H](NC(=O)c2c[nH]c(=O)cn2)C1 ZINC001020521122 729192771 /nfs/dbraw/zinc/19/27/71/729192771.db2.gz CMAMDTMEHFBULO-KYZUINATSA-N 1 0 347.335 -0.538 20 5 EBBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1C[C@@H](NC(=O)c2cnn(C)c2N)C1 ZINC001021997036 729351182 /nfs/dbraw/zinc/35/11/82/729351182.db2.gz QRWFKRXYNUUWSZ-DTORHVGOSA-N 1 0 348.367 -0.305 20 5 EBBDRO Cc1nc(C)n(CC[N@H+]2C[C@H]3CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C[C@H]3C2)n1 ZINC001048814702 734521145 /nfs/dbraw/zinc/52/11/45/734521145.db2.gz YMLNGLAADDRUOF-LXTVHRRPSA-N 1 0 348.407 -0.050 20 5 EBBDRO CCC[N@H+](C)CC(=O)N1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@H]2C1 ZINC001055331587 736333678 /nfs/dbraw/zinc/33/36/78/736333678.db2.gz PLZPSLJZARBXEJ-XJFOESAGSA-N 1 0 338.408 -0.090 20 5 EBBDRO CC[N@H+](C)C(C)(C)C(=O)N(CCO)CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001057942328 737545904 /nfs/dbraw/zinc/54/59/04/737545904.db2.gz AXEVOYJJPMWUOC-VXGBXAGGSA-N 1 0 344.412 -0.681 20 5 EBBDRO O=C(NC1(CNC(=O)C23CC[NH+](CC2)C3)CCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001063728537 739187960 /nfs/dbraw/zinc/18/79/60/739187960.db2.gz AJEPWMQMZPBTSA-VXGBXAGGSA-N 1 0 336.392 -0.098 20 5 EBBDRO CC(C)C[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001070963385 740999805 /nfs/dbraw/zinc/99/98/05/740999805.db2.gz OXKJHSLJONEMQN-CHWSQXEVSA-N 1 0 326.397 -0.042 20 5 EBBDRO O=C(NC[C@H]1C[C@H]([NH2+]CCN2C(=O)CCC2=O)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001086363645 816307326 /nfs/dbraw/zinc/30/73/26/816307326.db2.gz DUKQUHVDQNQLAF-DDHJBXDOSA-N 1 0 338.364 -0.715 20 5 EBBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1C[C@H](CNC(=O)c2nnc[nH]2)C1 ZINC001086507727 816358174 /nfs/dbraw/zinc/35/81/74/816358174.db2.gz JAKHIHWQGMREGN-KYZUINATSA-N 1 0 334.340 -0.255 20 5 EBBDRO C[NH+](C)CCC(=O)N[C@@H]1[C@H]2CN(c3ncc([N+](=O)[O-])c(N)n3)C[C@H]21 ZINC001097584771 819006540 /nfs/dbraw/zinc/00/65/40/819006540.db2.gz PURWRXWVPHVLSZ-GDGBQDQQSA-N 1 0 335.368 -0.531 20 5 EBBDRO C[N@H+](CC(=O)N1CC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)CC(C)(C)C ZINC001284900475 819396557 /nfs/dbraw/zinc/39/65/57/819396557.db2.gz MPNLLNWJKOSBJQ-VXGBXAGGSA-N 1 0 326.397 -0.044 20 5 EBBDRO CC[NH+](CC)CC(=O)NCCN(C)c1ncc([N+](=O)[O-])c(N)n1 ZINC001100121364 820249835 /nfs/dbraw/zinc/24/98/35/820249835.db2.gz VJBXESDMIFTRJK-UHFFFAOYSA-N 1 0 325.373 -0.139 20 5 EBBDRO Cn1c2ccccc2c(N2CC[NH2+][C@@H](C(N)=O)C2)c([N+](=O)[O-])c1=O ZINC001306922676 821768932 /nfs/dbraw/zinc/76/89/32/821768932.db2.gz SAEPDXHOOIDBGC-SNVBAGLBSA-N 1 0 331.332 -0.290 20 5 EBBDRO Cn1cc(N2CC[C@@H]([NH2+]C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)cn1 ZINC001118149405 826859759 /nfs/dbraw/zinc/85/97/59/826859759.db2.gz FYMVAPLJEDAWIR-RISCZKNCSA-N 1 0 335.368 -0.246 20 5 EBBDRO Cn1cc(N2CC[C@@H]([NH2+]C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)cn1 ZINC001118149403 826860924 /nfs/dbraw/zinc/86/09/24/826860924.db2.gz FYMVAPLJEDAWIR-BXUZGUMPSA-N 1 0 335.368 -0.246 20 5 EBBDRO CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC001118646205 826974657 /nfs/dbraw/zinc/97/46/57/826974657.db2.gz ZCXHVOWHMBCSID-LLVKDONJSA-N 1 0 338.368 -0.492 20 5 EBBDRO O=C(NC[C@@H]1COCC[NH2+]1)C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001118929807 827026921 /nfs/dbraw/zinc/02/69/21/827026921.db2.gz KHHKAJBBPFCRFU-GFCCVEGCSA-N 1 0 334.332 -0.458 20 5 EBBDRO NC(=O)c1ncn(CC(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)n1 ZINC001127648705 828310444 /nfs/dbraw/zinc/31/04/44/828310444.db2.gz XVVQHHSAZQSVFY-UHFFFAOYSA-N 1 0 347.335 -0.809 20 5 EBBDRO Cn1cc(C(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)c(=O)[nH]c1=O ZINC001150971537 831004908 /nfs/dbraw/zinc/00/49/08/831004908.db2.gz HCWRFVGHZCYDJO-UHFFFAOYSA-N 1 0 347.331 -0.086 20 5 EBBDRO CS(=O)(=O)CCNc1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001154920471 831373847 /nfs/dbraw/zinc/37/38/47/831373847.db2.gz BMKILNNQXUCTLA-UHFFFAOYSA-N 1 0 330.370 -0.749 20 5 EBBDRO COC(=O)NCC(=O)NCCC[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC001155129880 831387155 /nfs/dbraw/zinc/38/71/55/831387155.db2.gz WPLQYLCORYUQJI-UHFFFAOYSA-N 1 0 328.329 -0.720 20 5 EBBDRO O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)N1CC([NH2+][C@H]2CCOC2)C1 ZINC001157006405 831524219 /nfs/dbraw/zinc/52/42/19/831524219.db2.gz MIGCBTGVCIONRQ-LBPRGKRZSA-N 1 0 348.359 -0.086 20 5 EBBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCCNC(=O)c1cc(=O)n(C)o1 ZINC001157127366 831537359 /nfs/dbraw/zinc/53/73/59/831537359.db2.gz GQFTYASDNUKPQD-UHFFFAOYSA-N 1 0 338.324 -0.470 20 5 EBBDRO CC(C)(C)NC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157775645 831593282 /nfs/dbraw/zinc/59/32/82/831593282.db2.gz UGQNSRVBXPWOJN-NXEZZACHSA-N 1 0 343.384 -0.628 20 5 EBBDRO Cn1cnn(CC(=O)NCCC[NH2+]Cc2cccc([N+](=O)[O-])c2)c1=O ZINC001161460748 831960430 /nfs/dbraw/zinc/96/04/30/831960430.db2.gz ASKHDLUIHWTMJY-UHFFFAOYSA-N 1 0 348.363 -0.214 20 5 EBBDRO COCC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC[NH+](CCCO)CC1 ZINC001162270376 832029571 /nfs/dbraw/zinc/02/95/71/832029571.db2.gz HLWVBRHXEXYEHA-CHWSQXEVSA-N 1 0 329.397 -0.121 20 5 EBBDRO CS(=O)(=O)c1ccc(N[C@@]23CC[NH2+][C@H]2CC(=O)N3)c([N+](=O)[O-])c1 ZINC001163254596 832094576 /nfs/dbraw/zinc/09/45/76/832094576.db2.gz OKNSNGUSIHWXSM-WCQYABFASA-N 1 0 340.361 -0.012 20 5 EBBDRO C[NH2+]C[C@H](C)NC(=O)C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC001350353461 832159017 /nfs/dbraw/zinc/15/90/17/832159017.db2.gz HKFKMEVTTLFXMU-JTQLQIEISA-N 1 0 336.348 -0.092 20 5 EBBDRO COC(=O)[C@H]1C[NH2+]CCN1c1nc(OC)c([N+](=O)[O-])c(OC)n1 ZINC001165438163 832220358 /nfs/dbraw/zinc/22/03/58/832220358.db2.gz FSBQPLVMDAOACN-SSDOTTSWSA-N 1 0 327.297 -0.647 20 5 EBBDRO O=c1[nH]c(=O)c2c([nH]1)CCN(c1ncc([N+](=O)[O-])c(C3C[NH2+]C3)n1)C2 ZINC001166927822 832299662 /nfs/dbraw/zinc/29/96/62/832299662.db2.gz NTJNBCCNVLVHHY-UHFFFAOYSA-N 1 0 345.319 -0.165 20 5 EBBDRO COCCCOCC(=O)NCCC[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC001170540806 832512113 /nfs/dbraw/zinc/51/21/13/832512113.db2.gz XPDLJKRAZMUSEU-UHFFFAOYSA-N 1 0 343.384 -0.023 20 5 EBBDRO CC(C)NC(=O)NCC[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001200473188 835972230 /nfs/dbraw/zinc/97/22/30/835972230.db2.gz YMJOCXCPDRFBES-CHWSQXEVSA-N 1 0 341.412 -0.060 20 5 EBBDRO CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC001321461593 838996351 /nfs/dbraw/zinc/99/63/51/838996351.db2.gz RXJNLVBUSSCILJ-CQSZACIVSA-N 1 0 349.391 -0.427 20 5 EBBDRO O=C(NCCn1cc([N+](=O)[O-])cn1)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC001324280869 839622312 /nfs/dbraw/zinc/62/23/12/839622312.db2.gz QYHVZSYXXMKZOW-SNVBAGLBSA-N 1 0 336.352 -0.740 20 5 EBBDRO O=C(Cn1c(=O)onc1-c1cccc([N+](=O)[O-])c1)N1CC[NH2+]CC1 ZINC001326051508 840016218 /nfs/dbraw/zinc/01/62/18/840016218.db2.gz BSOMCUIVSKFBFR-UHFFFAOYSA-N 1 0 333.304 -0.157 20 5 EBBDRO COCC[N@H+](C)CCNC(=O)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC001327437204 840420564 /nfs/dbraw/zinc/42/05/64/840420564.db2.gz OAUXKSWMQDNHSG-UHFFFAOYSA-N 1 0 338.364 -0.095 20 5 EBBDRO Cn1cc(C[C@@H](CO)C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cn1 ZINC001328412547 840671999 /nfs/dbraw/zinc/67/19/99/840671999.db2.gz IMFAJFJRMQEIQY-OCCSQVGLSA-N 1 0 338.368 -0.674 20 5 EBBDRO O=C1NCC2(CC[NH+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)O1 ZINC001335646373 842324141 /nfs/dbraw/zinc/32/41/41/842324141.db2.gz VWZBXCBCTNASNR-NSHDSACASA-N 1 0 325.325 -0.273 20 5 EBBDRO CS(=O)(=O)c1cc([N+](=O)[O-])c(N2CCN[C@@H](C(N)=O)C2)s1 ZINC001337590797 842640628 /nfs/dbraw/zinc/64/06/28/842640628.db2.gz KWYAAFIDAJWDPG-ZCFIWIBFSA-N 1 0 334.379 -0.677 20 5 EBBDRO C[C@@H](CNC(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1)[N@H+](C)C1CC1 ZINC001347080413 843588341 /nfs/dbraw/zinc/58/83/41/843588341.db2.gz KOKRWRWQAXIQPJ-JTQLQIEISA-N 1 0 338.368 -0.494 20 5 EBBDRO Cn1c(C[N+](=O)[O-])nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001347420358 843616152 /nfs/dbraw/zinc/61/61/52/843616152.db2.gz JGSWFMKPBGOGAB-UHFFFAOYSA-N 1 0 337.384 -0.664 20 5 EBBDRO Cc1nn(C)c(C(=O)N2CC(C[NH+]3CCN(C)CC3)C2)c1[N+](=O)[O-] ZINC001648810352 1125800345 /nfs/dbraw/zinc/80/03/45/1125800345.db2.gz CAMMKOFOONWCSR-UHFFFAOYSA-N 1 0 336.396 -0.044 20 5 EBBDRO Cc1c(C(=O)N(C)CC[NH2+]Cc2c([N+](=O)[O-])ncn2C)nnn1C ZINC001481217758 1125946802 /nfs/dbraw/zinc/94/68/02/1125946802.db2.gz SCADFKOOKQUCQC-UHFFFAOYSA-N 1 0 336.356 -0.373 20 5 EBBDRO O=C(NCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@H]2C1)C1CC1 ZINC001484406356 1126568414 /nfs/dbraw/zinc/56/84/14/1126568414.db2.gz BTQIWLANJNFWQD-XJFOESAGSA-N 1 0 336.392 -0.432 20 5 EBBDRO C[N@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CCN1C(=O)NC(C)(C)C1=O ZINC001492250396 1130608179 /nfs/dbraw/zinc/60/81/79/1130608179.db2.gz VCXHXANDJHEBSO-NXEZZACHSA-N 1 0 341.368 -0.970 20 5 EBBDRO