smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@H](CO)C1 ZINC000023114878 358037481 /nfs/dbraw/zinc/03/74/81/358037481.db2.gz UDGNNSUSQFPLEM-NSHDSACASA-N 1 1 250.298 1.799 50 5 CDBAMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH+](C)C ZINC000003250860 375603587 /nfs/dbraw/zinc/60/35/87/375603587.db2.gz LQUUSJPIOOSLKP-MRVPVSSYSA-N 1 1 267.285 1.492 50 5 CDBAMO C[NH+]1CCN(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000000368853 359625742 /nfs/dbraw/zinc/62/57/42/359625742.db2.gz BVJBVVADNSZSTG-UHFFFAOYSA-N 1 1 298.730 1.140 50 5 CDBAMO CC[N@@H+]1C[C@@]2([N+](=O)[O-])CC=C(Cl)[C@@]([N+](=O)[O-])(C1)C2 ZINC000013154467 374657348 /nfs/dbraw/zinc/65/73/48/374657348.db2.gz IMIRONZDASOPRO-ZJUUUORDSA-N 1 1 275.692 1.269 50 5 CDBAMO CC[N@H+]1C[C@@]2([N+](=O)[O-])CC=C(Cl)[C@@]([N+](=O)[O-])(C1)C2 ZINC000013154467 374657354 /nfs/dbraw/zinc/65/73/54/374657354.db2.gz IMIRONZDASOPRO-ZJUUUORDSA-N 1 1 275.692 1.269 50 5 CDBAMO Cc1cc([N+](=O)[O-])c(N2CC[NH+](C)CC2)cc1N ZINC000004104320 392128885 /nfs/dbraw/zinc/12/88/85/392128885.db2.gz HIAMVFVLQSGMHZ-UHFFFAOYSA-N 1 1 250.302 1.237 50 5 CDBAMO CC1CC[NH+](CCCNC(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000095977951 185052311 /nfs/dbraw/zinc/05/23/11/185052311.db2.gz UMFOPAMKYOTVQZ-UHFFFAOYSA-N 1 1 295.343 1.170 50 5 CDBAMO CC[NH+]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000004486530 356365369 /nfs/dbraw/zinc/36/53/69/356365369.db2.gz ZKWRDEODLSZTRM-UHFFFAOYSA-N 1 1 278.312 1.764 50 5 CDBAMO C[NH+]1CCN(c2cc(N)c([N+](=O)[O-])cc2F)CC1 ZINC000005065172 360151574 /nfs/dbraw/zinc/15/15/74/360151574.db2.gz IQGRLFTWIPYMON-UHFFFAOYSA-N 1 1 254.265 1.068 50 5 CDBAMO O=[N+]([O-])c1ccsc1NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000108329609 412824910 /nfs/dbraw/zinc/82/49/10/412824910.db2.gz DYMYCDDBKOLASH-VHSXEESVSA-N 1 1 283.353 1.931 50 5 CDBAMO COc1ccc(Nc2[n-]c(=NN)nc(C)c2[N+](=O)[O-])cc1 ZINC000013477246 365446503 /nfs/dbraw/zinc/44/65/03/365446503.db2.gz DMUBBAGWJVZYLF-UHFFFAOYSA-N 1 1 290.283 1.153 50 5 CDBAMO CCOC(=O)c1ccc(N2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000016125202 276299471 /nfs/dbraw/zinc/29/94/71/276299471.db2.gz SHIZECNQEQRLRD-UHFFFAOYSA-N 1 1 293.323 1.523 50 5 CDBAMO CN1CCN(Cc2ccc([O-])c([N+](=O)[O-])c2)CC1 ZINC000019608755 374763113 /nfs/dbraw/zinc/76/31/13/374763113.db2.gz WITWBEOHGAFFOA-UHFFFAOYSA-N 1 1 251.286 1.048 50 5 CDBAMO CN1CC[NH+](CCCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000004842713 170028878 /nfs/dbraw/zinc/02/88/78/170028878.db2.gz HBGQDRDKPLOSOW-UHFFFAOYSA-N 1 1 279.340 1.611 50 5 CDBAMO CC[C@](C)([NH2+]Cc1ccc([N+](=O)[O-])cc1F)C(N)=O ZINC000089941960 366974545 /nfs/dbraw/zinc/97/45/45/366974545.db2.gz QFECYLMSMJPCAZ-LBPRGKRZSA-N 1 1 269.276 1.478 50 5 CDBAMO NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000055292038 374462850 /nfs/dbraw/zinc/46/28/50/374462850.db2.gz QQDZWCIDUGRUIJ-LLVKDONJSA-N 1 1 263.297 1.292 50 5 CDBAMO CNC(=O)CC[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088607994 391442922 /nfs/dbraw/zinc/44/29/22/391442922.db2.gz BOQRWZPFICRCFC-UHFFFAOYSA-N 1 1 263.297 1.089 50 5 CDBAMO O=[N+]([O-])c1cccnc1N1CC[C@H](c2[nH]cc[nH+]2)C1 ZINC000585092659 930923978 /nfs/dbraw/zinc/92/39/78/930923978.db2.gz IPNVVVDGAUVNRH-VIFPVBQESA-N 1 1 259.269 1.707 50 5 CDBAMO C[C@@](O)(CNc1ccc([N+](=O)[O-])cc1)C[NH+]1CCOCC1 ZINC000095972044 185049404 /nfs/dbraw/zinc/04/94/04/185049404.db2.gz YATHHFUSYTVYIP-CQSZACIVSA-N 1 1 295.339 1.090 50 5 CDBAMO CCOC(=O)[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])o2)C1 ZINC000000292224 359429873 /nfs/dbraw/zinc/42/98/73/359429873.db2.gz VEQAQFMAAWUATB-JTQLQIEISA-N 1 1 282.296 1.963 50 5 CDBAMO CCOC(=O)[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])o2)C1 ZINC000000292224 359429878 /nfs/dbraw/zinc/42/98/78/359429878.db2.gz VEQAQFMAAWUATB-JTQLQIEISA-N 1 1 282.296 1.963 50 5 CDBAMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCOCC1 ZINC000026159778 482889661 /nfs/dbraw/zinc/88/96/61/482889661.db2.gz ZBYCDIBXLXGBDV-UHFFFAOYSA-N 1 1 293.323 1.564 50 5 CDBAMO COC(=O)c1ccc(N2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000004050815 372973021 /nfs/dbraw/zinc/97/30/21/372973021.db2.gz VRPYNGMXXLTUOL-UHFFFAOYSA-N 1 1 279.296 1.133 50 5 CDBAMO C[NH+]1CCN(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000004628414 390488175 /nfs/dbraw/zinc/48/81/75/390488175.db2.gz JBAKBBVQGYTERB-UHFFFAOYSA-N 1 1 298.730 1.140 50 5 CDBAMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H](O)C1 ZINC000033040243 357326508 /nfs/dbraw/zinc/32/65/08/357326508.db2.gz PQWGTNGDOZCMIA-ZWNOBZJWSA-N 1 1 293.323 1.379 50 5 CDBAMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@H](O)C1 ZINC000033040243 357326510 /nfs/dbraw/zinc/32/65/10/357326510.db2.gz PQWGTNGDOZCMIA-ZWNOBZJWSA-N 1 1 293.323 1.379 50 5 CDBAMO Cc1ccc(C[N@H+]2CCC[C@@H](CC(N)=O)C2)cc1[N+](=O)[O-] ZINC000093808691 372045716 /nfs/dbraw/zinc/04/57/16/372045716.db2.gz KGONSXUJRPDFSU-LBPRGKRZSA-N 1 1 291.351 1.991 50 5 CDBAMO C[C@H]1CCC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000012812489 391620423 /nfs/dbraw/zinc/62/04/23/391620423.db2.gz IQXLXCPFGHDUPW-JTQLQIEISA-N 1 1 277.324 1.926 50 5 CDBAMO O=[N+]([O-])c1ccccc1OCCC[NH+]1CCOCC1 ZINC000019607355 374758157 /nfs/dbraw/zinc/75/81/57/374758157.db2.gz VQZSRUVSNOEJHB-UHFFFAOYSA-N 1 1 266.297 1.696 50 5 CDBAMO Cn1c[nH+]cc1CCNc1nc2ccccn2c1[N+](=O)[O-] ZINC000097108364 185534256 /nfs/dbraw/zinc/53/42/56/185534256.db2.gz NDDSGQYUYGIRHV-UHFFFAOYSA-N 1 1 286.295 1.631 50 5 CDBAMO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ncn(C)n1 ZINC000391976772 391319315 /nfs/dbraw/zinc/31/93/15/391319315.db2.gz MDEXQVZMJAWJPK-SNVBAGLBSA-N 1 1 275.312 1.617 50 5 CDBAMO CC[NH+]1CCN(C(=O)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000000319141 359482090 /nfs/dbraw/zinc/48/20/90/359482090.db2.gz IOQDNKIITJTZAZ-UHFFFAOYSA-N 1 1 277.324 1.681 50 5 CDBAMO NC(=O)[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000055292037 374463518 /nfs/dbraw/zinc/46/35/18/374463518.db2.gz QQDZWCIDUGRUIJ-NSHDSACASA-N 1 1 263.297 1.292 50 5 CDBAMO [NH2+]=C1Nc2nc3ccccc3n2[C@H](c2ccc([N+](=O)[O-])o2)N1 ZINC000004864695 170032905 /nfs/dbraw/zinc/03/29/05/170032905.db2.gz MJBDJYFOGFLXAU-LLVKDONJSA-N 1 1 298.262 1.825 50 5 CDBAMO Cc1cc(NC(=O)C[NH+](C)C)c([N+](=O)[O-])cc1C ZINC000006051460 170172157 /nfs/dbraw/zinc/17/21/57/170172157.db2.gz QXIIGKIJWDOKSY-UHFFFAOYSA-N 1 1 251.286 1.712 50 5 CDBAMO C[C@](O)(CNc1ccc([N+](=O)[O-])cc1)C[NH+]1CCOCC1 ZINC000095972045 375044843 /nfs/dbraw/zinc/04/48/43/375044843.db2.gz YATHHFUSYTVYIP-AWEZNQCLSA-N 1 1 295.339 1.090 50 5 CDBAMO C[N@H+]1CCC[C@H](OC(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000003258735 375608017 /nfs/dbraw/zinc/60/80/17/375608017.db2.gz FEXDCJWLPVHOLH-QMMMGPOBSA-N 1 1 254.242 1.439 50 5 CDBAMO O=C(C[NH+]1CCCC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000027271035 171511686 /nfs/dbraw/zinc/51/16/86/171511686.db2.gz FZKRNMPDESROAM-UHFFFAOYSA-N 1 1 275.308 1.580 50 5 CDBAMO O=[N+]([O-])c1ccc(NCCC[NH+]2CCOCC2)c(F)c1 ZINC000020136723 171024799 /nfs/dbraw/zinc/02/47/99/171024799.db2.gz ATYYTVBJPXUSHU-UHFFFAOYSA-N 1 1 283.303 1.868 50 5 CDBAMO [NH3+]CC(=O)c1cccc([N+](=O)[O-])c1Br ZINC000169800526 362149024 /nfs/dbraw/zinc/14/90/24/362149024.db2.gz YJCHHJGZBUHKNT-UHFFFAOYSA-N 1 1 259.059 1.499 50 5 CDBAMO Nc1cc(SC2=[NH+]CCN2)c([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000005394728 363290473 /nfs/dbraw/zinc/29/04/73/363290473.db2.gz KWPRBMUACQTBHY-UHFFFAOYSA-N 1 1 283.269 1.137 50 5 CDBAMO O=[N+]([O-])c1c(N2CC[N@H+]3CCC[C@H]3C2)nc2ccccn21 ZINC000247309103 357418734 /nfs/dbraw/zinc/41/87/34/357418734.db2.gz HZIKEQWYTKADBL-NSHDSACASA-N 1 1 287.323 1.527 50 5 CDBAMO CC(C)(C)OC(=O)[C@H]([NH3+])Cc1ccc([N+](=O)[O-])cc1 ZINC000038534735 174144728 /nfs/dbraw/zinc/14/47/28/174144728.db2.gz WFXHVZZCTZMYSA-LLVKDONJSA-N 1 1 266.297 1.806 50 5 CDBAMO Cc1ccc(C[N@@H+]2CCCN(C(N)=O)CC2)cc1[N+](=O)[O-] ZINC000092754077 361890038 /nfs/dbraw/zinc/89/00/38/361890038.db2.gz NUGHLBVSNRDNAM-UHFFFAOYSA-N 1 1 292.339 1.490 50 5 CDBAMO Cc1ccc(C[N@H+]2CCCN(C(N)=O)CC2)cc1[N+](=O)[O-] ZINC000092754077 361890040 /nfs/dbraw/zinc/89/00/40/361890040.db2.gz NUGHLBVSNRDNAM-UHFFFAOYSA-N 1 1 292.339 1.490 50 5 CDBAMO O=[N+]([O-])c1ccccc1C[N@@H+]1CCCC[C@H]1CO ZINC000023115257 358032446 /nfs/dbraw/zinc/03/24/46/358032446.db2.gz RAIQBNQSSUCADQ-LBPRGKRZSA-N 1 1 250.298 1.942 50 5 CDBAMO COc1c2c(cc3c1[C@H]([C@@H](C)[N+](=O)[O-])[N@H+](C)CC3)OCO2 ZINC000020410810 393147167 /nfs/dbraw/zinc/14/71/67/393147167.db2.gz DMFKDBXYGPGBMW-PELKAZGASA-N 1 1 294.307 1.618 50 5 biogenic CDBAMO COc1c2c(cc3c1[C@H]([C@@H](C)[N+](=O)[O-])[N@@H+](C)CC3)OCO2 ZINC000020410810 393147176 /nfs/dbraw/zinc/14/71/76/393147176.db2.gz DMFKDBXYGPGBMW-PELKAZGASA-N 1 1 294.307 1.618 50 5 biogenic CDBAMO C[C@H](C(=O)N1CC[NH+](C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000022515630 171389555 /nfs/dbraw/zinc/38/95/55/171389555.db2.gz AZVGXKXMYKNCQJ-NSHDSACASA-N 1 1 277.324 1.472 50 5 CDBAMO C[N@H+]1CCCC[C@H]1CCSc1ncc([N+](=O)[O-])c(N)n1 ZINC000521394975 357237236 /nfs/dbraw/zinc/23/72/36/357237236.db2.gz JXHDLFCMZDUPPP-VIFPVBQESA-N 1 1 297.384 1.764 50 5 CDBAMO CC[NH+]1CCN(C(=S)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000008653707 170344043 /nfs/dbraw/zinc/34/40/43/170344043.db2.gz PPWVZYXBHUGWAT-UHFFFAOYSA-N 1 1 294.380 1.929 50 5 CDBAMO CCOC[C@H](O)C[N@@H+](C)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000107050078 186156964 /nfs/dbraw/zinc/15/69/64/186156964.db2.gz HDHLFFMAWCCLML-BXUZGUMPSA-N 1 1 282.340 1.985 50 5 CDBAMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[NH+](C)CC1 ZINC000012980241 374623621 /nfs/dbraw/zinc/62/36/21/374623621.db2.gz KWPUKNRENFDEQD-NSHDSACASA-N 1 1 292.339 1.169 50 5 CDBAMO NC(=O)[C@@H]1CCC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000095360912 356379271 /nfs/dbraw/zinc/37/92/71/356379271.db2.gz WBWKAZOPPCPDEN-SECBINFHSA-N 1 1 269.326 1.354 50 5 CDBAMO NC(=O)[C@@H]1CCC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000095360912 356379276 /nfs/dbraw/zinc/37/92/76/356379276.db2.gz WBWKAZOPPCPDEN-SECBINFHSA-N 1 1 269.326 1.354 50 5 CDBAMO C[NH+]1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000055075582 374080476 /nfs/dbraw/zinc/08/04/76/374080476.db2.gz YTGIZLGBCMZERO-QPJJXVBHSA-N 1 1 275.308 1.382 50 5 CDBAMO NC(=O)C1CC[NH+](Cc2ccc([N+](=O)[O-])s2)CC1 ZINC000019633865 374767048 /nfs/dbraw/zinc/76/70/48/374767048.db2.gz TYVJPMMLTWTUEA-UHFFFAOYSA-N 1 1 269.326 1.354 50 5 CDBAMO CC(C)[C@H](CNc1c([N+](=O)[O-])ncn1C)[NH+]1CCOCC1 ZINC000012630058 276018897 /nfs/dbraw/zinc/01/88/97/276018897.db2.gz AXFBENAJYNCFTG-NSHDSACASA-N 1 1 297.359 1.097 50 5 CDBAMO C[N@H+]1CCCN(Cc2ccc([N+](=O)[O-])s2)CC1 ZINC000000238896 359355415 /nfs/dbraw/zinc/35/54/15/359355415.db2.gz GBHZSHONVQIEDE-UHFFFAOYSA-N 1 1 255.343 1.794 50 5 CDBAMO COc1cc(CN(C)CC[NH+](C)C)cc([N+](=O)[O-])c1O ZINC000004948596 170044404 /nfs/dbraw/zinc/04/44/04/170044404.db2.gz HVLYZSFYSVWPDB-UHFFFAOYSA-N 1 1 283.328 1.302 50 5 CDBAMO Cc1ccc([N+](=O)[O-])c(NCCc2c[nH+]cn2C)n1 ZINC000097373478 356094601 /nfs/dbraw/zinc/09/46/01/356094601.db2.gz RKLWIONGHPWKPZ-UHFFFAOYSA-N 1 1 261.285 1.686 50 5 CDBAMO C[NH+]1CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000004977514 170047916 /nfs/dbraw/zinc/04/79/16/170047916.db2.gz OGBQLAQHHHGIDA-UHFFFAOYSA-N 1 1 269.732 1.996 50 5 CDBAMO O=[N+]([O-])c1ccc(N2CC[N@@H+]3C[C@@H](F)C[C@H]3C2)c(F)c1 ZINC000952993069 910540637 /nfs/dbraw/zinc/54/06/37/910540637.db2.gz VNKPOVXILATSPN-ONGXEEELSA-N 1 1 283.278 1.966 50 5 CDBAMO O=[N+]([O-])c1ccc(N2CC[N@H+]3C[C@@H](F)C[C@H]3C2)c(F)c1 ZINC000952993069 910540640 /nfs/dbraw/zinc/54/06/40/910540640.db2.gz VNKPOVXILATSPN-ONGXEEELSA-N 1 1 283.278 1.966 50 5 CDBAMO CC[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000004819728 170022525 /nfs/dbraw/zinc/02/25/25/170022525.db2.gz SCNUASIDRRLCNB-UHFFFAOYSA-N 1 1 263.297 1.373 50 5 CDBAMO Cc1[nH+]ccn1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000005728752 170134006 /nfs/dbraw/zinc/13/40/06/170134006.db2.gz SNWSYACKEMFRDC-LLVKDONJSA-N 1 1 277.280 1.540 50 5 CDBAMO CC1(C)CC(=O)NCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000585133734 931020672 /nfs/dbraw/zinc/02/06/72/931020672.db2.gz SQADCVKEVUQFBB-UHFFFAOYSA-N 1 1 277.324 1.695 50 5 CDBAMO CC1(C)CC(=O)NCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000585133734 931020678 /nfs/dbraw/zinc/02/06/78/931020678.db2.gz SQADCVKEVUQFBB-UHFFFAOYSA-N 1 1 277.324 1.695 50 5 CDBAMO COC(=O)CC[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000083688636 357315684 /nfs/dbraw/zinc/31/56/84/357315684.db2.gz XLVSKBRCNMJPMU-UHFFFAOYSA-N 1 1 293.279 1.731 50 5 CDBAMO COC(=O)CC[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000083688636 357315689 /nfs/dbraw/zinc/31/56/89/357315689.db2.gz XLVSKBRCNMJPMU-UHFFFAOYSA-N 1 1 293.279 1.731 50 5 CDBAMO COc1ccc(NCCC[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000019972697 170956595 /nfs/dbraw/zinc/95/65/95/170956595.db2.gz XVTSTCFSBZEFPT-UHFFFAOYSA-N 1 1 295.339 1.738 50 5 CDBAMO NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000055292076 374463383 /nfs/dbraw/zinc/46/33/83/374463383.db2.gz QHVKVJIMPMTVOI-NSHDSACASA-N 1 1 263.297 1.292 50 5 CDBAMO O=[N+]([O-])c1cccc(C[N@@H+]2CCCC[C@H]2CO)c1 ZINC000023115284 358032317 /nfs/dbraw/zinc/03/23/17/358032317.db2.gz JBWHIBOYYSKOES-ZDUSSCGKSA-N 1 1 250.298 1.942 50 5 CDBAMO CC(C)N1CC[NH+](CCCn2cc([N+](=O)[O-])cn2)CC1 ZINC000188293760 357614620 /nfs/dbraw/zinc/61/46/20/357614620.db2.gz IKFLRDGEWWMYGC-UHFFFAOYSA-N 1 1 281.360 1.207 50 5 CDBAMO CCC[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)CC1CC1 ZINC000084755215 358989999 /nfs/dbraw/zinc/98/99/99/358989999.db2.gz YVYVWSVDYBINQI-UHFFFAOYSA-N 1 1 279.340 1.879 50 5 CDBAMO COc1c2c(cc3c1[C@@H]([C@@H](C)[N+](=O)[O-])[N@H+](C)CC3)OCO2 ZINC000020410813 393147420 /nfs/dbraw/zinc/14/74/20/393147420.db2.gz DMFKDBXYGPGBMW-PRHODGIISA-N 1 1 294.307 1.618 50 5 biogenic CDBAMO COc1c2c(cc3c1[C@@H]([C@@H](C)[N+](=O)[O-])[N@@H+](C)CC3)OCO2 ZINC000020410813 393147425 /nfs/dbraw/zinc/14/74/25/393147425.db2.gz DMFKDBXYGPGBMW-PRHODGIISA-N 1 1 294.307 1.618 50 5 biogenic CDBAMO Cn1c2cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cc2n(C)c1=O ZINC000226795519 276749096 /nfs/dbraw/zinc/74/90/96/276749096.db2.gz JAAOFWXKEKQKTC-AATRIKPKSA-N 1 1 276.296 1.318 50 5 CDBAMO CN1CC[NH+](CCCSc2ncccc2[N+](=O)[O-])CC1 ZINC000097098638 482456202 /nfs/dbraw/zinc/45/62/02/482456202.db2.gz SVNKXSAQBNVHDX-UHFFFAOYSA-N 1 1 296.396 1.719 50 5 CDBAMO NC(=O)[C@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000004987190 170049271 /nfs/dbraw/zinc/04/92/71/170049271.db2.gz SFTGNNSWLGSSMZ-NSHDSACASA-N 1 1 263.297 1.292 50 5 CDBAMO CCC[N@@H+](CCO)Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000004988668 170049418 /nfs/dbraw/zinc/04/94/18/170049418.db2.gz JPYKXDBPDQTHAK-UHFFFAOYSA-N 1 1 298.339 1.816 50 5 CDBAMO C[NH+]1CCN(C(=S)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000006375899 170195875 /nfs/dbraw/zinc/19/58/75/170195875.db2.gz SXQZCXHNYYVDNL-UHFFFAOYSA-N 1 1 280.353 1.539 50 5 CDBAMO CC[N@H+]1CCC[C@@H]1CNc1ncccc1[N+](=O)[O-] ZINC000021790595 171323838 /nfs/dbraw/zinc/32/38/38/171323838.db2.gz AWHJHOOTFXYXFL-SNVBAGLBSA-N 1 1 250.302 1.886 50 5 CDBAMO C[C@@H]([NH2+]CC(=O)N1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000253393941 373683701 /nfs/dbraw/zinc/68/37/01/373683701.db2.gz YYZVHXZBOWACOP-LLVKDONJSA-N 1 1 293.323 1.104 50 5 CDBAMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H](O)C1 ZINC000033040244 357326421 /nfs/dbraw/zinc/32/64/21/357326421.db2.gz PQWGTNGDOZCMIA-GXFFZTMASA-N 1 1 293.323 1.379 50 5 CDBAMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@H](O)C1 ZINC000033040244 357326428 /nfs/dbraw/zinc/32/64/28/357326428.db2.gz PQWGTNGDOZCMIA-GXFFZTMASA-N 1 1 293.323 1.379 50 5 CDBAMO CC[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000006046601 170171690 /nfs/dbraw/zinc/17/16/90/170171690.db2.gz VYMJIKBEFSXLPV-UHFFFAOYSA-N 1 1 263.297 1.373 50 5 CDBAMO C[N@@H+](CCn1cnc([N+](=O)[O-])n1)Cc1ccc(F)cc1 ZINC000097377174 356101461 /nfs/dbraw/zinc/10/14/61/356101461.db2.gz IXLHTYWRZJXTJS-UHFFFAOYSA-N 1 1 279.275 1.457 50 5 CDBAMO O=[N+]([O-])c1ccc(N2CC[N@H+]3CCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000239386696 275036515 /nfs/dbraw/zinc/03/65/15/275036515.db2.gz QAWKMLWGDOMDTO-NSHDSACASA-N 1 1 292.295 1.787 50 5 CDBAMO CC(C)[N@@H+](C)CCNc1cc(N)ccc1[N+](=O)[O-] ZINC000193405436 528824810 /nfs/dbraw/zinc/82/48/10/528824810.db2.gz ZRJITHGFKPMVNR-UHFFFAOYSA-N 1 1 252.318 1.929 50 5 CDBAMO CC[C@H](O)C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000096461836 529702084 /nfs/dbraw/zinc/70/20/84/529702084.db2.gz OJCPKRJFDSSBHW-ZDUSSCGKSA-N 1 1 250.298 1.724 50 5 CDBAMO Cc1[nH+]ccn1C[C@H](O)COc1ccc([N+](=O)[O-])cc1 ZINC000000072702 358347370 /nfs/dbraw/zinc/34/73/70/358347370.db2.gz UODDSPDTYHLKEF-LBPRGKRZSA-N 1 1 277.280 1.540 50 5 CDBAMO CC(C)[C@@H](CNc1ncccc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000012811995 279853779 /nfs/dbraw/zinc/85/37/79/279853779.db2.gz KABPMNZXFPSRID-CYBMUJFWSA-N 1 1 294.355 1.759 50 5 CDBAMO COc1cc(C[N@@H+]2CCC[C@H](O)C2)c([N+](=O)[O-])cc1OC ZINC000016310493 370107652 /nfs/dbraw/zinc/10/76/52/370107652.db2.gz YAIJYIGMLNESNY-NSHDSACASA-N 1 1 296.323 1.569 50 5 CDBAMO COc1cc(C[N@H+]2CCC[C@H](O)C2)c([N+](=O)[O-])cc1OC ZINC000016310493 370107658 /nfs/dbraw/zinc/10/76/58/370107658.db2.gz YAIJYIGMLNESNY-NSHDSACASA-N 1 1 296.323 1.569 50 5 CDBAMO NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000055292078 283320107 /nfs/dbraw/zinc/32/01/07/283320107.db2.gz QHVKVJIMPMTVOI-LLVKDONJSA-N 1 1 263.297 1.292 50 5 CDBAMO CC[NH+]1CCN(C(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000000303973 359442776 /nfs/dbraw/zinc/44/27/76/359442776.db2.gz VZQTXZQPKCGCDD-UHFFFAOYSA-N 1 1 293.323 1.381 50 5 CDBAMO O=C(NCCC[NH+]1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000019720984 374778681 /nfs/dbraw/zinc/77/86/81/374778681.db2.gz CPIHNOVSVDLFGZ-UHFFFAOYSA-N 1 1 293.323 1.047 50 5 CDBAMO C[NH+]1CCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000054975179 373752550 /nfs/dbraw/zinc/75/25/50/373752550.db2.gz CTYNEKWYUBCOJB-VOTSOKGWSA-N 1 1 275.308 1.382 50 5 CDBAMO C[NH+](C)[C@@H]1COC(=O)O[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000217041239 391017557 /nfs/dbraw/zinc/01/75/57/391017557.db2.gz JVHRFDUBKQWSDL-GHMZBOCLSA-N 1 1 266.253 1.733 50 5 CDBAMO COC(=O)c1cc([N+](=O)[O-])ccc1N1CC[NH+](C)CC1 ZINC000029218679 375391098 /nfs/dbraw/zinc/39/10/98/375391098.db2.gz YEWNCBNFPSRCKN-UHFFFAOYSA-N 1 1 279.296 1.133 50 5 CDBAMO CC[NH+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000004614194 357232323 /nfs/dbraw/zinc/23/23/23/357232323.db2.gz JGTPDLWGLKDLDG-UHFFFAOYSA-N 1 1 277.324 1.681 50 5 CDBAMO Cc1[nH+]c(CNc2c([N+](=O)[O-])ncn2C)c2n1CCCC2 ZINC000101814677 397819537 /nfs/dbraw/zinc/81/95/37/397819537.db2.gz WCAOACROHGRYIU-UHFFFAOYSA-N 1 1 290.327 1.782 50 5 CDBAMO Cc1ccnc(N2[C@@H]3CC[C@H]2CC[N@H+](C)C3)c1[N+](=O)[O-] ZINC000585092366 930922064 /nfs/dbraw/zinc/92/20/64/930922064.db2.gz SEMGRSGSQRPQRX-NWDGAFQWSA-N 1 1 276.340 1.971 50 5 CDBAMO COC[C@H](C)[NH+]1CCN(c2ncc([N+](=O)[O-])cc2C)CC1 ZINC000096429397 357471151 /nfs/dbraw/zinc/47/11/51/357471151.db2.gz CIBJBGVIADVCBY-LBPRGKRZSA-N 1 1 294.355 1.455 50 5 CDBAMO C[NH+]1CCN(C(=S)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000017008297 367006310 /nfs/dbraw/zinc/00/63/10/367006310.db2.gz PWPDPIMTWUPYOY-UHFFFAOYSA-N 1 1 280.353 1.539 50 5 CDBAMO COC(=O)c1ccc([N+](=O)[O-])c(/C=C\[NH+](C)C)c1 ZINC000033808185 360206881 /nfs/dbraw/zinc/20/68/81/360206881.db2.gz YNJPBYXXPDXCRM-SREVYHEPSA-N 1 1 250.254 1.914 50 5 CDBAMO CC(C)[C@@H](CNc1c([N+](=O)[O-])ncn1C)[NH+]1CCOCC1 ZINC000012630055 374553988 /nfs/dbraw/zinc/55/39/88/374553988.db2.gz AXFBENAJYNCFTG-LLVKDONJSA-N 1 1 297.359 1.097 50 5 CDBAMO C[C@H]1C[NH+](C)C[C@H](C)N1C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000095975215 375046649 /nfs/dbraw/zinc/04/66/49/375046649.db2.gz DBMCUEPUTZVJSS-UWVGGRQHSA-N 1 1 278.312 1.154 50 5 CDBAMO CCOC[C@@H](O)C[N@@H+](C)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000107050081 186156486 /nfs/dbraw/zinc/15/64/86/186156486.db2.gz HDHLFFMAWCCLML-RISCZKNCSA-N 1 1 282.340 1.985 50 5 CDBAMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@H](O)C2)c2c(c1)COCO2 ZINC000016695548 360492851 /nfs/dbraw/zinc/49/28/51/360492851.db2.gz HGYZNBYSTHVBDB-ZDUSSCGKSA-N 1 1 294.307 1.418 50 5 CDBAMO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@H](O)C2)c2c(c1)COCO2 ZINC000016695548 360492853 /nfs/dbraw/zinc/49/28/53/360492853.db2.gz HGYZNBYSTHVBDB-ZDUSSCGKSA-N 1 1 294.307 1.418 50 5 CDBAMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000089819063 366940603 /nfs/dbraw/zinc/94/06/03/366940603.db2.gz MMBKPZLIMAEUCO-XQQFMLRXSA-N 1 1 281.356 1.129 50 5 CDBAMO CC[C@@](C)([NH2+]Cc1ccc([N+](=O)[O-])cc1F)C(N)=O ZINC000089941961 366972316 /nfs/dbraw/zinc/97/23/16/366972316.db2.gz QFECYLMSMJPCAZ-GFCCVEGCSA-N 1 1 269.276 1.478 50 5 CDBAMO Cc1ccc(NC(=O)N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000001753774 374377750 /nfs/dbraw/zinc/37/77/50/374377750.db2.gz WJCRPVCBEXCPKE-UHFFFAOYSA-N 1 1 278.312 1.683 50 5 CDBAMO Cc1ccnc(NCCc2c[nH+]cn2C)c1[N+](=O)[O-] ZINC000097108372 375148756 /nfs/dbraw/zinc/14/87/56/375148756.db2.gz URKKSQJFSAPXBU-UHFFFAOYSA-N 1 1 261.285 1.686 50 5 CDBAMO O=C1C[C@@H]([NH+]2CCCC2)C(=O)N1c1ccc([N+](=O)[O-])cc1 ZINC000004948517 284832930 /nfs/dbraw/zinc/83/29/30/284832930.db2.gz GWAZYKAMWYPQOU-GFCCVEGCSA-N 1 1 289.291 1.323 50 5 CDBAMO O=[N+]([O-])c1cc(CN2CC[NH+](CCO)CC2)ccc1Cl ZINC000023114809 171412573 /nfs/dbraw/zinc/41/25/73/171412573.db2.gz MQWIVLWUXRUFAU-UHFFFAOYSA-N 1 1 299.758 1.358 50 5 CDBAMO Cc1c(C[N@@H+]2C[C@@H](C(N)=O)CC[C@H]2C)cccc1[N+](=O)[O-] ZINC000106655598 186129660 /nfs/dbraw/zinc/12/96/60/186129660.db2.gz GNVYTMPRYUWXIM-MFKMUULPSA-N 1 1 291.351 1.989 50 5 CDBAMO CC(C)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000000239164 359379090 /nfs/dbraw/zinc/37/90/90/359379090.db2.gz QWBHWBJUYFMXHS-UHFFFAOYSA-N 1 1 277.324 1.761 50 5 CDBAMO C[C@H]([NH2+]CC(=O)N1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000253393942 373684356 /nfs/dbraw/zinc/68/43/56/373684356.db2.gz YYZVHXZBOWACOP-NSHDSACASA-N 1 1 293.323 1.104 50 5 CDBAMO CCN1CCN(Cc2ccc([O-])c([N+](=O)[O-])c2)CC1 ZINC000019608683 374763205 /nfs/dbraw/zinc/76/32/05/374763205.db2.gz SXMPDLXIWDMVBH-UHFFFAOYSA-N 1 1 265.313 1.438 50 5 CDBAMO O=[N+]([O-])c1ccc(NCCC[NH+]2CCOCC2)cc1 ZINC000019737072 374780206 /nfs/dbraw/zinc/78/02/06/374780206.db2.gz JHPKICVISZEWHB-UHFFFAOYSA-N 1 1 265.313 1.729 50 5 CDBAMO COc1c2c(cc3c1[C@@H](C[N+](=O)[O-])[N@H+](C)CC3)OCO2 ZINC000020311224 393145851 /nfs/dbraw/zinc/14/58/51/393145851.db2.gz SFTLDAVMHMOGKU-SECBINFHSA-N 1 1 280.280 1.230 50 5 biogenic CDBAMO COc1c2c(cc3c1[C@@H](C[N+](=O)[O-])[N@@H+](C)CC3)OCO2 ZINC000020311224 393145858 /nfs/dbraw/zinc/14/58/58/393145858.db2.gz SFTLDAVMHMOGKU-SECBINFHSA-N 1 1 280.280 1.230 50 5 biogenic CDBAMO Cc1ccc(C(=O)N2CCC[N@H+](C)CC2)cc1[N+](=O)[O-] ZINC000020479242 393147601 /nfs/dbraw/zinc/14/76/01/393147601.db2.gz LKKORHLFFBBOJB-UHFFFAOYSA-N 1 1 277.324 1.681 50 5 CDBAMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@H](O)C1 ZINC000034887454 364022618 /nfs/dbraw/zinc/02/26/18/364022618.db2.gz PQWGTNGDOZCMIA-MFKMUULPSA-N 1 1 293.323 1.379 50 5 CDBAMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@H](O)C1 ZINC000034887454 364022620 /nfs/dbraw/zinc/02/26/20/364022620.db2.gz PQWGTNGDOZCMIA-MFKMUULPSA-N 1 1 293.323 1.379 50 5 CDBAMO CC[NH+]1CCN(c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000238791141 276202413 /nfs/dbraw/zinc/20/24/13/276202413.db2.gz MMKRSZIZGVYLFQ-UHFFFAOYSA-N 1 1 253.277 1.876 50 5 CDBAMO Cc1cc(N2CC[C@]3(CCC[N@@H+]3C)C2)ncc1[N+](=O)[O-] ZINC000952880568 910442163 /nfs/dbraw/zinc/44/21/63/910442163.db2.gz BZMXHTIYBHUXQP-CQSZACIVSA-N 1 1 276.340 1.973 50 5 CDBAMO Cn1c[nH+]cc1CCNc1nc2sccn2c1[N+](=O)[O-] ZINC000097108376 375149187 /nfs/dbraw/zinc/14/91/87/375149187.db2.gz DTSKXLLJAARGSQ-UHFFFAOYSA-N 1 1 292.324 1.692 50 5 CDBAMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H](CO)C2)cc1 ZINC000004948013 170044608 /nfs/dbraw/zinc/04/46/08/170044608.db2.gz JZEBGNLIZMRNAU-LBPRGKRZSA-N 1 1 250.298 1.799 50 5 CDBAMO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)CC(=O)NC1CC1 ZINC000036394257 362057946 /nfs/dbraw/zinc/05/79/46/362057946.db2.gz LPHYKSYBNFOTOD-UHFFFAOYSA-N 1 1 293.323 1.184 50 5 CDBAMO C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)CC(=O)NC1CC1 ZINC000036394257 362057949 /nfs/dbraw/zinc/05/79/49/362057949.db2.gz LPHYKSYBNFOTOD-UHFFFAOYSA-N 1 1 293.323 1.184 50 5 CDBAMO COc1c2c(cc3c1[C@@H]([C@H](C)[N+](=O)[O-])[N@H+](C)CC3)OCO2 ZINC000033345333 390875124 /nfs/dbraw/zinc/87/51/24/390875124.db2.gz DMFKDBXYGPGBMW-QPUJVOFHSA-N 1 1 294.307 1.618 50 5 biogenic CDBAMO COc1c2c(cc3c1[C@@H]([C@H](C)[N+](=O)[O-])[N@@H+](C)CC3)OCO2 ZINC000033345333 390875128 /nfs/dbraw/zinc/87/51/28/390875128.db2.gz DMFKDBXYGPGBMW-QPUJVOFHSA-N 1 1 294.307 1.618 50 5 biogenic CDBAMO CC[C@](C)([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)C(N)=O ZINC000097082861 357945966 /nfs/dbraw/zinc/94/59/66/357945966.db2.gz KJVRQFJVOUVWPX-LBPRGKRZSA-N 1 1 285.731 1.992 50 5 CDBAMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H](O)C2)c2c(c1)COCO2 ZINC000016695547 360492903 /nfs/dbraw/zinc/49/29/03/360492903.db2.gz HGYZNBYSTHVBDB-CYBMUJFWSA-N 1 1 294.307 1.418 50 5 CDBAMO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H](O)C2)c2c(c1)COCO2 ZINC000016695547 360492906 /nfs/dbraw/zinc/49/29/06/360492906.db2.gz HGYZNBYSTHVBDB-CYBMUJFWSA-N 1 1 294.307 1.418 50 5 CDBAMO C[C@@H]1CCC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000012812483 361184817 /nfs/dbraw/zinc/18/48/17/361184817.db2.gz IQXLXCPFGHDUPW-SNVBAGLBSA-N 1 1 277.324 1.926 50 5 CDBAMO NC(=O)[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000095405863 374909887 /nfs/dbraw/zinc/90/98/87/374909887.db2.gz CKEZCVRFILGKOU-SECBINFHSA-N 1 1 297.742 1.946 50 5 CDBAMO NC(=O)[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000095405863 374909890 /nfs/dbraw/zinc/90/98/90/374909890.db2.gz CKEZCVRFILGKOU-SECBINFHSA-N 1 1 297.742 1.946 50 5 CDBAMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH+]1CCCC1 ZINC000006638182 170220797 /nfs/dbraw/zinc/22/07/97/170220797.db2.gz QTNWOEVCMQOZGW-UHFFFAOYSA-N 1 1 263.297 1.938 50 5 CDBAMO C[NH+]1CCN(C(=O)Nc2ccccc2CC[N+](=O)[O-])CC1 ZINC000005343228 170087973 /nfs/dbraw/zinc/08/79/73/170087973.db2.gz IZQDEZCCZBNCMB-UHFFFAOYSA-N 1 1 292.339 1.285 50 5 CDBAMO CN(C)C(=O)c1ccc(N2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000008726282 282005788 /nfs/dbraw/zinc/00/57/88/282005788.db2.gz QSKHXDXFALLOPS-UHFFFAOYSA-N 1 1 292.339 1.048 50 5 CDBAMO O=[N+]([O-])c1ccsc1NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000095986636 185056468 /nfs/dbraw/zinc/05/64/68/185056468.db2.gz DYMYCDDBKOLASH-NXEZZACHSA-N 1 1 283.353 1.931 50 5 CDBAMO CC(C)[N@H+](CCO)Cc1ccc([N+](=O)[O-])cc1F ZINC000089869590 366950981 /nfs/dbraw/zinc/95/09/81/366950981.db2.gz FHCWPIRGWGQRRX-UHFFFAOYSA-N 1 1 256.277 1.937 50 5 CDBAMO CC(C)[N@@H+](CCO)Cc1ccc([N+](=O)[O-])cc1F ZINC000089869590 366950983 /nfs/dbraw/zinc/95/09/83/366950983.db2.gz FHCWPIRGWGQRRX-UHFFFAOYSA-N 1 1 256.277 1.937 50 5 CDBAMO C[NH+]1CCN(C(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000097299714 358077377 /nfs/dbraw/zinc/07/73/77/358077377.db2.gz WUOQJFXIQASTFF-HYXAFXHYSA-N 1 1 293.298 1.521 50 5 CDBAMO COc1c2c(cc3c1[C@H]([C@H](C)[N+](=O)[O-])[N@H+](C)CC3)OCO2 ZINC000033318753 286188542 /nfs/dbraw/zinc/18/85/42/286188542.db2.gz DMFKDBXYGPGBMW-UFBFGSQYSA-N 1 1 294.307 1.618 50 5 biogenic CDBAMO COc1c2c(cc3c1[C@H]([C@H](C)[N+](=O)[O-])[N@@H+](C)CC3)OCO2 ZINC000033318753 286188545 /nfs/dbraw/zinc/18/85/45/286188545.db2.gz DMFKDBXYGPGBMW-UFBFGSQYSA-N 1 1 294.307 1.618 50 5 biogenic CDBAMO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@@H]1CO ZINC000095948540 185039340 /nfs/dbraw/zinc/03/93/40/185039340.db2.gz HWSWNQOSVRDARQ-LLVKDONJSA-N 1 1 266.297 1.430 50 5 CDBAMO CCC[N@H+](CCO)Cc1cc(OC)c(O)c([N+](=O)[O-])c1 ZINC000023281310 358657475 /nfs/dbraw/zinc/65/74/75/358657475.db2.gz ZOAVJKSVTUEEKF-UHFFFAOYSA-N 1 1 284.312 1.513 50 5 CDBAMO CCC[N@@H+](CCO)Cc1cc(OC)c(O)c([N+](=O)[O-])c1 ZINC000023281310 358657478 /nfs/dbraw/zinc/65/74/78/358657478.db2.gz ZOAVJKSVTUEEKF-UHFFFAOYSA-N 1 1 284.312 1.513 50 5 CDBAMO C[NH+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000004015675 375842680 /nfs/dbraw/zinc/84/26/80/375842680.db2.gz VVCGJQIIQTWQGL-UHFFFAOYSA-N 1 1 257.677 1.748 50 5 CDBAMO C[NH+](C)[C@@H]1COC(=O)O[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000217041309 282227733 /nfs/dbraw/zinc/22/77/33/282227733.db2.gz JVHRFDUBKQWSDL-MNOVXSKESA-N 1 1 266.253 1.733 50 5 CDBAMO C[N@H+]1CCCN(Cc2cc3c(cc2[N+](=O)[O-])OCO3)CC1 ZINC000000295316 359431226 /nfs/dbraw/zinc/43/12/26/359431226.db2.gz DQZALINDZMWWFT-UHFFFAOYSA-N 1 1 293.323 1.461 50 5 CDBAMO Cc1nn(C)c(NCCc2c[nH+]cn2C)c1[N+](=O)[O-] ZINC000097108386 375149343 /nfs/dbraw/zinc/14/93/43/375149343.db2.gz VZQGSJKSGBQRMD-UHFFFAOYSA-N 1 1 264.289 1.025 50 5 CDBAMO Cc1[nH+]ccn1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000005728744 170133986 /nfs/dbraw/zinc/13/39/86/170133986.db2.gz SNWSYACKEMFRDC-NSHDSACASA-N 1 1 277.280 1.540 50 5 CDBAMO O=[N+]([O-])c1ccccc1C[N@@H+]1CCCC[C@@H]1CO ZINC000023115259 358032147 /nfs/dbraw/zinc/03/21/47/358032147.db2.gz RAIQBNQSSUCADQ-GFCCVEGCSA-N 1 1 250.298 1.942 50 5 CDBAMO C=CC(=O)Nc1cc([N+](=O)[O-])ccc1N1CC[NH+](C)CC1 ZINC000222222852 345063878 /nfs/dbraw/zinc/06/38/78/345063878.db2.gz UNLHQXWNOIFYOH-UHFFFAOYSA-N 1 1 290.323 1.471 50 5 CDBAMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H](CO)C2)cc1 ZINC000004948016 170044628 /nfs/dbraw/zinc/04/46/28/170044628.db2.gz JZEBGNLIZMRNAU-GFCCVEGCSA-N 1 1 250.298 1.799 50 5 CDBAMO C[N@H+]1CC[C@@H]2CN(c3ncccc3[N+](=O)[O-])C[C@@H]2C1 ZINC000585092034 362012273 /nfs/dbraw/zinc/01/22/73/362012273.db2.gz BOEAIWGIYYOBDZ-MNOVXSKESA-N 1 1 262.313 1.378 50 5 CDBAMO Cc1cc([N+](=O)[O-])cnc1NCCc1c[nH+]cn1C ZINC000097373071 356093745 /nfs/dbraw/zinc/09/37/45/356093745.db2.gz GUHGZWWBTUBPPD-UHFFFAOYSA-N 1 1 261.285 1.686 50 5 CDBAMO O=[N+]([O-])c1cccc(C[N@@H+]2CCCC[C@@H]2CO)c1 ZINC000023115286 358032504 /nfs/dbraw/zinc/03/25/04/358032504.db2.gz JBWHIBOYYSKOES-CYBMUJFWSA-N 1 1 250.298 1.942 50 5 CDBAMO CC(C)[C@H](CNc1ncccc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000012812001 361156911 /nfs/dbraw/zinc/15/69/11/361156911.db2.gz KABPMNZXFPSRID-ZDUSSCGKSA-N 1 1 294.355 1.759 50 5 CDBAMO O=[N+]([O-])c1cccc(-c2nnc(C[NH2+]C3CC3)o2)c1 ZINC000003887878 364993149 /nfs/dbraw/zinc/99/31/49/364993149.db2.gz PNNYWHHPZNJJHP-UHFFFAOYSA-N 1 1 260.253 1.897 50 5 CDBAMO C[NH+]1CCN(Cc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000163298522 375661069 /nfs/dbraw/zinc/66/10/69/375661069.db2.gz IVMHAERORZGDCB-UHFFFAOYSA-N 1 1 269.732 1.996 50 5 CDBAMO O=[N+]([O-])c1ccsc1NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000095986637 185056461 /nfs/dbraw/zinc/05/64/61/185056461.db2.gz DYMYCDDBKOLASH-ZJUUUORDSA-N 1 1 283.353 1.931 50 5 CDBAMO COc1cc(C[NH+]2CCC(O)CC2)c([N+](=O)[O-])cc1OC ZINC000022591343 171393337 /nfs/dbraw/zinc/39/33/37/171393337.db2.gz MYNFDSOYJLKIMH-UHFFFAOYSA-N 1 1 296.323 1.569 50 5 CDBAMO COc1cc(C[N@@H+]2CCC[C@@H]2CO)c([N+](=O)[O-])cc1OC ZINC000016662678 360277337 /nfs/dbraw/zinc/27/73/37/360277337.db2.gz OIDTUERXEMTVOY-LLVKDONJSA-N 1 1 296.323 1.569 50 5 CDBAMO COc1cc(C[N@H+]2CCC[C@@H]2CO)c([N+](=O)[O-])cc1OC ZINC000016662678 360277339 /nfs/dbraw/zinc/27/73/39/360277339.db2.gz OIDTUERXEMTVOY-LLVKDONJSA-N 1 1 296.323 1.569 50 5 CDBAMO Cn1[nH]c(=O)c2c1C[N@H+](Cc1ccc([N+](=O)[O-])cc1)CC2 ZINC000585133225 931028836 /nfs/dbraw/zinc/02/88/36/931028836.db2.gz BGEKAEWYCXFESJ-UHFFFAOYSA-N 1 1 288.307 1.592 50 5 CDBAMO Cn1[nH]c(=O)c2c1C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)CC2 ZINC000585133225 931028843 /nfs/dbraw/zinc/02/88/43/931028843.db2.gz BGEKAEWYCXFESJ-UHFFFAOYSA-N 1 1 288.307 1.592 50 5 CDBAMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC2(CCC2)C1 ZINC000090552253 180002492 /nfs/dbraw/zinc/00/24/92/180002492.db2.gz YJLSGBOVNPHQPF-UHFFFAOYSA-N 1 1 277.324 1.633 50 5 CDBAMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH+](C)C ZINC000003250858 375604217 /nfs/dbraw/zinc/60/42/17/375604217.db2.gz LQUUSJPIOOSLKP-QMMMGPOBSA-N 1 1 267.285 1.492 50 5 CDBAMO CC[N@H+]1CCC[C@H]1CNc1ncccc1[N+](=O)[O-] ZINC000021790599 171323722 /nfs/dbraw/zinc/32/37/22/171323722.db2.gz AWHJHOOTFXYXFL-JTQLQIEISA-N 1 1 250.302 1.886 50 5 CDBAMO C[NH+]1CCN(c2cc(Cl)c3nonc3c2[N+](=O)[O-])CC1 ZINC000003882518 539053226 /nfs/dbraw/zinc/05/32/26/539053226.db2.gz ZKZKJDSDZSVARE-UHFFFAOYSA-N 1 1 297.702 1.536 50 5 CDBAMO Cc1[nH+]ccn1C[C@@H](O)COc1ccc([N+](=O)[O-])cc1 ZINC000000072708 358347604 /nfs/dbraw/zinc/34/76/04/358347604.db2.gz UODDSPDTYHLKEF-GFCCVEGCSA-N 1 1 277.280 1.540 50 5 CDBAMO COc1c(C)c[nH+]c(Cn2ccc(=O)c([N+](=O)[O-])c2)c1C ZINC000084258143 358788725 /nfs/dbraw/zinc/78/87/25/358788725.db2.gz DLZUUPDLCUEXIY-UHFFFAOYSA-N 1 1 289.291 1.825 50 5 CDBAMO Cc1ccc(C[N@H+]2CCC[C@H](CC(N)=O)C2)cc1[N+](=O)[O-] ZINC000093808690 374786296 /nfs/dbraw/zinc/78/62/96/374786296.db2.gz KGONSXUJRPDFSU-GFCCVEGCSA-N 1 1 291.351 1.991 50 5 CDBAMO C[N@H+]1CCC[C@@H](OC(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000003258731 375608263 /nfs/dbraw/zinc/60/82/63/375608263.db2.gz FEXDCJWLPVHOLH-MRVPVSSYSA-N 1 1 254.242 1.439 50 5 CDBAMO Cc1cnc(N(C)[C@@H]2CCC[N@@H+](C)C2)c([N+](=O)[O-])c1 ZINC000096449411 302345471 /nfs/dbraw/zinc/34/54/71/302345471.db2.gz BQNGEUCJKYRLJD-LLVKDONJSA-N 1 1 264.329 1.829 50 5 CDBAMO O=[N+]([O-])c1ccccc1NCCC[NH+]1CCOCC1 ZINC000024204018 361843659 /nfs/dbraw/zinc/84/36/59/361843659.db2.gz AODTVISKBZJMJU-UHFFFAOYSA-N 1 1 265.313 1.729 50 5 CDBAMO NC(=O)[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000095405862 374909697 /nfs/dbraw/zinc/90/96/97/374909697.db2.gz CKEZCVRFILGKOU-VIFPVBQESA-N 1 1 297.742 1.946 50 5 CDBAMO NC(=O)[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000095405862 374909703 /nfs/dbraw/zinc/90/97/03/374909703.db2.gz CKEZCVRFILGKOU-VIFPVBQESA-N 1 1 297.742 1.946 50 5 CDBAMO Cc1cc(N2CC[NH+](C)CC2)c(F)cc1[N+](=O)[O-] ZINC000004498756 274705982 /nfs/dbraw/zinc/70/59/82/274705982.db2.gz GXCCKNZQWKVUKR-UHFFFAOYSA-N 1 1 253.277 1.794 50 5 CDBAMO Cc1cnc(N(C)[C@H]2CCC[N@@H+](C)C2)c([N+](=O)[O-])c1 ZINC000096449412 534559726 /nfs/dbraw/zinc/55/97/26/534559726.db2.gz BQNGEUCJKYRLJD-NSHDSACASA-N 1 1 264.329 1.829 50 5 CDBAMO O=[N+]([O-])c1ccc(NCC[N@H+]2CCCOCC2)cc1 ZINC000188490187 376247030 /nfs/dbraw/zinc/24/70/30/376247030.db2.gz ICSDRGQQUKMTSB-UHFFFAOYSA-N 1 1 265.313 1.729 50 5 CDBAMO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ncn(C)n1 ZINC000391976771 280681679 /nfs/dbraw/zinc/68/16/79/280681679.db2.gz MDEXQVZMJAWJPK-JTQLQIEISA-N 1 1 275.312 1.617 50 5 CDBAMO C[N@H+]1CC[C@@]2(C1)CCCN(c1ncccc1[N+](=O)[O-])C2 ZINC000585092011 930919902 /nfs/dbraw/zinc/91/99/02/930919902.db2.gz AMFUOWBTZWBSGJ-CQSZACIVSA-N 1 1 276.340 1.912 50 5 CDBAMO Cc1c(C[N@@H+]2C[C@H](C(N)=O)CC[C@H]2C)cccc1[N+](=O)[O-] ZINC000106655596 186130303 /nfs/dbraw/zinc/13/03/03/186130303.db2.gz GNVYTMPRYUWXIM-ZWNOBZJWSA-N 1 1 291.351 1.989 50 5 CDBAMO CCC[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000004748877 170011060 /nfs/dbraw/zinc/01/10/60/170011060.db2.gz OPGONQFFJYAICO-UHFFFAOYSA-N 1 1 277.324 1.763 50 5 CDBAMO Cc1cccc2[nH+]c(Cn3ccc(=O)c([N+](=O)[O-])c3)cn21 ZINC000096468016 230378720 /nfs/dbraw/zinc/37/87/20/230378720.db2.gz WUUBFTJEBZTXBO-UHFFFAOYSA-N 1 1 284.275 1.761 50 5 CDBAMO CC(=O)Nc1cc([N+](=O)[O-])ccc1N1CC[NH+](C)CC1 ZINC000005049873 360128681 /nfs/dbraw/zinc/12/86/81/360128681.db2.gz FSQBTKZGKQMDMQ-UHFFFAOYSA-N 1 1 278.312 1.305 50 5 CDBAMO C[NH+]1CCN(c2c3ccccc3oc(=O)c2[N+](=O)[O-])CC1 ZINC000003895945 273899062 /nfs/dbraw/zinc/89/90/62/273899062.db2.gz YENAYOJVUHVETP-UHFFFAOYSA-N 1 1 289.291 1.453 50 5 CDBAMO C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000004043673 391935830 /nfs/dbraw/zinc/93/58/30/391935830.db2.gz ZEBGUAUODJBFEV-UHFFFAOYSA-N 1 1 266.257 1.255 50 5 CDBAMO COc1cc(CN2CCC[N@H+](C)CC2)cc([N+](=O)[O-])c1O ZINC000004832322 170026240 /nfs/dbraw/zinc/02/62/40/170026240.db2.gz ULYUWBYPEDDMBQ-UHFFFAOYSA-N 1 1 295.339 1.447 50 5 CDBAMO COc1cc(CN2CCC[N@@H+](C)CC2)cc([N+](=O)[O-])c1O ZINC000004832322 170026242 /nfs/dbraw/zinc/02/62/42/170026242.db2.gz ULYUWBYPEDDMBQ-UHFFFAOYSA-N 1 1 295.339 1.447 50 5 CDBAMO O=[N+]([O-])c1ccc(OCCC[NH+]2CCOCC2)cc1 ZINC000019607527 170830680 /nfs/dbraw/zinc/83/06/80/170830680.db2.gz FWXCMZOZLKWFHZ-UHFFFAOYSA-N 1 1 266.297 1.696 50 5 CDBAMO O=[N+]([O-])c1cccc(OCCC[NH+]2CCOCC2)c1 ZINC000020639448 171269210 /nfs/dbraw/zinc/26/92/10/171269210.db2.gz AKDSKGYYVGNMDA-UHFFFAOYSA-N 1 1 266.297 1.696 50 5 CDBAMO O=[N+]([O-])c1ccc(N2CC[N@@H+]3C[C@@H](F)C[C@H]3C2)nc1 ZINC000952992341 825126968 /nfs/dbraw/zinc/12/69/68/825126968.db2.gz KCWOBRMEUWHAPX-ONGXEEELSA-N 1 1 266.276 1.222 50 5 CDBAMO O=[N+]([O-])c1ccc(N2CC[N@H+]3C[C@@H](F)C[C@H]3C2)nc1 ZINC000952992341 825126973 /nfs/dbraw/zinc/12/69/73/825126973.db2.gz KCWOBRMEUWHAPX-ONGXEEELSA-N 1 1 266.276 1.222 50 5 CDBAMO C[NH+]1CCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000202157416 342859461 /nfs/dbraw/zinc/85/94/61/342859461.db2.gz CAEUGAAFIWDZJX-UHFFFAOYSA-N 1 1 291.351 1.646 50 5 CDBAMO NC(=O)[C@H]1CCC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000095360910 356378790 /nfs/dbraw/zinc/37/87/90/356378790.db2.gz WBWKAZOPPCPDEN-VIFPVBQESA-N 1 1 269.326 1.354 50 5 CDBAMO NC(=O)[C@H]1CCC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000095360910 356378792 /nfs/dbraw/zinc/37/87/92/356378792.db2.gz WBWKAZOPPCPDEN-VIFPVBQESA-N 1 1 269.326 1.354 50 5 CDBAMO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@@H](CO)C2)c1 ZINC000023114972 358037690 /nfs/dbraw/zinc/03/76/90/358037690.db2.gz YGSACGKXKWFRRP-GFCCVEGCSA-N 1 1 250.298 1.799 50 5 CDBAMO COC(=O)c1ccc([N+](=O)[O-])c(/C=C/[NH+](C)C)c1 ZINC000049952274 357226583 /nfs/dbraw/zinc/22/65/83/357226583.db2.gz YNJPBYXXPDXCRM-VOTSOKGWSA-N 1 1 250.254 1.914 50 5 CDBAMO CC[NH+]1CCN(c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000057366620 393218884 /nfs/dbraw/zinc/21/88/84/393218884.db2.gz IWKXGRRMWASTNC-UHFFFAOYSA-N 1 1 253.277 1.876 50 5 CDBAMO O=[N+]([O-])c1cc(Cl)ccc1N1CC[NH+](CCO)CC1 ZINC000019286375 275033314 /nfs/dbraw/zinc/03/33/14/275033314.db2.gz IGAXAUQESKLXLF-UHFFFAOYSA-N 1 1 285.731 1.363 50 5 CDBAMO Cc1cnc(OCC[NH+]2CCSCC2)c([N+](=O)[O-])c1 ZINC000096488988 534598984 /nfs/dbraw/zinc/59/89/84/534598984.db2.gz NAKVPGNMYOYKOG-UHFFFAOYSA-N 1 1 283.353 1.726 50 5 CDBAMO C[N@H+]1CCCC[C@@H]1CCSc1ncc([N+](=O)[O-])c(N)n1 ZINC000521394974 357236808 /nfs/dbraw/zinc/23/68/08/357236808.db2.gz JXHDLFCMZDUPPP-SECBINFHSA-N 1 1 297.384 1.764 50 5 CDBAMO C[NH+]1CCN(Nc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000004713183 357808824 /nfs/dbraw/zinc/80/88/24/357808824.db2.gz RYGMEXPMXCALHP-UHFFFAOYSA-N 1 1 270.720 1.823 50 5 CDBAMO C[NH+](C)[C@H]1COC(=O)O[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000217041344 358975619 /nfs/dbraw/zinc/97/56/19/358975619.db2.gz JVHRFDUBKQWSDL-QWRGUYRKSA-N 1 1 266.253 1.733 50 5 CDBAMO C[C@@H](C(=O)N1CC[NH+](C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000022515624 171389802 /nfs/dbraw/zinc/38/98/02/171389802.db2.gz AZVGXKXMYKNCQJ-LLVKDONJSA-N 1 1 277.324 1.472 50 5 CDBAMO C[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N)C(C)(C)C1 ZINC000195577242 342628916 /nfs/dbraw/zinc/62/89/16/342628916.db2.gz LCSBNTOUXXKLPT-UHFFFAOYSA-N 1 1 292.339 1.343 50 5 CDBAMO C[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N)C(C)(C)C1 ZINC000195577242 342628917 /nfs/dbraw/zinc/62/89/17/342628917.db2.gz LCSBNTOUXXKLPT-UHFFFAOYSA-N 1 1 292.339 1.343 50 5 CDBAMO O=c1ccc([N+](=O)[O-])cn1Cc1cn2ccccc2[nH+]1 ZINC000031672650 365399720 /nfs/dbraw/zinc/39/97/20/365399720.db2.gz UZCNJQKSKYWDRQ-UHFFFAOYSA-N 1 1 270.248 1.453 50 5 CDBAMO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@@H](CO)C1 ZINC000023114876 358037555 /nfs/dbraw/zinc/03/75/55/358037555.db2.gz UDGNNSUSQFPLEM-LLVKDONJSA-N 1 1 250.298 1.799 50 5 CDBAMO CC[NH+]1CCN(Cc2cc(OC)c(O)c([N+](=O)[O-])c2)CC1 ZINC000019536977 374747884 /nfs/dbraw/zinc/74/78/84/374747884.db2.gz DNQGUMCBKFDZHK-UHFFFAOYSA-N 1 1 295.339 1.447 50 5 CDBAMO COC[C@@H](C)[NH+]1CCN(c2ncc([N+](=O)[O-])cc2C)CC1 ZINC000096429398 357471457 /nfs/dbraw/zinc/47/14/57/357471457.db2.gz CIBJBGVIADVCBY-GFCCVEGCSA-N 1 1 294.355 1.455 50 5 CDBAMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+](C)C ZINC000004833860 170026595 /nfs/dbraw/zinc/02/65/95/170026595.db2.gz RXNGUHIWCPDEDM-UHFFFAOYSA-N 1 1 253.258 1.104 50 5 CDBAMO CCOC(=O)[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])o2)C1 ZINC000004838213 170026970 /nfs/dbraw/zinc/02/69/70/170026970.db2.gz VEQAQFMAAWUATB-SNVBAGLBSA-N 1 1 282.296 1.963 50 5 CDBAMO CCOC(=O)[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])o2)C1 ZINC000004838213 170026972 /nfs/dbraw/zinc/02/69/72/170026972.db2.gz VEQAQFMAAWUATB-SNVBAGLBSA-N 1 1 282.296 1.963 50 5 CDBAMO C[NH+](C)[C@H]1COC(=O)O[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000217041275 282272223 /nfs/dbraw/zinc/27/22/23/282272223.db2.gz JVHRFDUBKQWSDL-WDEREUQCSA-N 1 1 266.253 1.733 50 5 CDBAMO COc1cc([N+](=O)[O-])ccc1OCCC[NH+]1CCOCC1 ZINC000019932872 374826717 /nfs/dbraw/zinc/82/67/17/374826717.db2.gz SFNZIMQTRGQWJX-UHFFFAOYSA-N 1 1 296.323 1.705 50 5 CDBAMO CC[C@@H]1CCCCC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000195531482 397727819 /nfs/dbraw/zinc/72/78/19/397727819.db2.gz WSCOTZVHVRZXJG-TZMCWYRMSA-N 1 1 296.371 1.807 50 5 CDBAMO COc1cc(C[N@@H+]2CCC[C@@H](O)C2)c([N+](=O)[O-])cc1OC ZINC000016310490 370107281 /nfs/dbraw/zinc/10/72/81/370107281.db2.gz YAIJYIGMLNESNY-LLVKDONJSA-N 1 1 296.323 1.569 50 5 CDBAMO COc1cc(C[N@H+]2CCC[C@@H](O)C2)c([N+](=O)[O-])cc1OC ZINC000016310490 370107286 /nfs/dbraw/zinc/10/72/86/370107286.db2.gz YAIJYIGMLNESNY-LLVKDONJSA-N 1 1 296.323 1.569 50 5 CDBAMO O=C1C[C@H]([NH+]2CCCC2)C(=O)N1c1ccc([N+](=O)[O-])cc1 ZINC000022016028 275020292 /nfs/dbraw/zinc/02/02/92/275020292.db2.gz GWAZYKAMWYPQOU-LBPRGKRZSA-N 1 1 289.291 1.323 50 5 CDBAMO O=[N+]([O-])c1ccc(N2CC[N@H+]3CCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000004182252 275036534 /nfs/dbraw/zinc/03/65/34/275036534.db2.gz QAWKMLWGDOMDTO-LLVKDONJSA-N 1 1 292.295 1.787 50 5 CDBAMO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@H](CO)C2)c1 ZINC000023114974 358037589 /nfs/dbraw/zinc/03/75/89/358037589.db2.gz YGSACGKXKWFRRP-LBPRGKRZSA-N 1 1 250.298 1.799 50 5 CDBAMO O=[N+]([O-])c1ccc(Cl)c(CN2CC[NH+](CCO)CC2)c1 ZINC000004948290 170044344 /nfs/dbraw/zinc/04/43/44/170044344.db2.gz DUPROKCYARFKFI-UHFFFAOYSA-N 1 1 299.758 1.358 50 5 CDBAMO C[NH+]1CCN(c2nc3ccc([N+](=O)[O-])cc3s2)CC1 ZINC000000066588 273900918 /nfs/dbraw/zinc/90/09/18/273900918.db2.gz ASWYGKDUTIDWPC-UHFFFAOYSA-N 1 1 278.337 1.956 50 5 CDBAMO CC[N@@H+](CCC(N)=O)Cc1ccccc1[N+](=O)[O-] ZINC000097679532 356234883 /nfs/dbraw/zinc/23/48/83/356234883.db2.gz XNRLIJNGVJXBFQ-UHFFFAOYSA-N 1 1 251.286 1.292 50 5 CDBAMO O=[N+]([O-])c1ccc(NCCC[NH+]2CCOCC2)nc1 ZINC000019640142 374768743 /nfs/dbraw/zinc/76/87/43/374768743.db2.gz CSYAEPYKNUNJLE-UHFFFAOYSA-N 1 1 266.301 1.124 50 5 CDBAMO Cc1ccc([N+](=O)[O-])c(OCCC[NH+]2CCN(C)CC2)c1 ZINC000004868841 170034220 /nfs/dbraw/zinc/03/42/20/170034220.db2.gz IRMDETIIFKBSPX-UHFFFAOYSA-N 1 1 293.367 1.920 50 5 CDBAMO C[C@@H]1C[NH+](C)C[C@@H](C)N1C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000095975216 274336162 /nfs/dbraw/zinc/33/61/62/274336162.db2.gz DBMCUEPUTZVJSS-NXEZZACHSA-N 1 1 278.312 1.154 50 5 CDBAMO Cc1cc(N2CC[NH+]([C@@H]3CCOC3)CC2)ncc1[N+](=O)[O-] ZINC000084116889 483247924 /nfs/dbraw/zinc/24/79/24/483247924.db2.gz HCEATAGLARIYCE-GFCCVEGCSA-N 1 1 292.339 1.209 50 5 CDBAMO CC[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C1CC1 ZINC000032804120 260146126 /nfs/dbraw/zinc/14/61/26/260146126.db2.gz KRLBJGIWFJEVMY-UHFFFAOYSA-N 1 1 289.335 1.968 50 5 CDBAMO CC[NH+]1CCN(C(=S)c2cccc([N+](=O)[O-])c2)CC1 ZINC000055539430 375181899 /nfs/dbraw/zinc/18/18/99/375181899.db2.gz RQDLZJHPQNQATH-UHFFFAOYSA-N 1 1 279.365 1.908 50 5 CDBAMO C[N@H+]1CCN(c2ncccc2[N+](=O)[O-])CC1(C)C ZINC000594873595 342972766 /nfs/dbraw/zinc/97/27/66/342972766.db2.gz APMYQCDIKNQYIG-UHFFFAOYSA-N 1 1 250.302 1.520 50 5 CDBAMO O=[N+]([O-])c1ccccc1NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000106369642 186110461 /nfs/dbraw/zinc/11/04/61/186110461.db2.gz IRDYANYPDPSXDU-LBPRGKRZSA-N 1 1 277.324 1.870 50 5 CDBAMO O=[N+]([O-])c1ccccc1NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000106369642 186110462 /nfs/dbraw/zinc/11/04/62/186110462.db2.gz IRDYANYPDPSXDU-LBPRGKRZSA-N 1 1 277.324 1.870 50 5 CDBAMO Cc1cccn2cc(Cn3cc([N+](=O)[O-])ccc3=O)[nH+]c12 ZINC000011288036 358184175 /nfs/dbraw/zinc/18/41/75/358184175.db2.gz IUTOMKYMWPKOLT-UHFFFAOYSA-N 1 1 284.275 1.761 50 5 CDBAMO Cc1[nH]cc(Cn2cc(Br)c([N+](=O)[O-])n2)[nH+]1 ZINC000585119086 930982047 /nfs/dbraw/zinc/98/20/47/930982047.db2.gz PYBUFMXSWQNIHS-UHFFFAOYSA-N 1 1 286.089 1.634 50 5 CDBAMO O=[N+]([O-])c1ccccc1NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000106369640 186110529 /nfs/dbraw/zinc/11/05/29/186110529.db2.gz IRDYANYPDPSXDU-GFCCVEGCSA-N 1 1 277.324 1.870 50 5 CDBAMO O=[N+]([O-])c1ccccc1NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000106369640 186110530 /nfs/dbraw/zinc/11/05/30/186110530.db2.gz IRDYANYPDPSXDU-GFCCVEGCSA-N 1 1 277.324 1.870 50 5 CDBAMO COC(=O)c1cccc(/C=C/[NH+](C)C)c1[N+](=O)[O-] ZINC000055106966 374180126 /nfs/dbraw/zinc/18/01/26/374180126.db2.gz PPCHVJGFXSDKDO-BQYQJAHWSA-N 1 1 250.254 1.914 50 5 CDBAMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](CCn1cncn1)CC2 ZINC000088607220 285142046 /nfs/dbraw/zinc/14/20/46/285142046.db2.gz OFIRMFLTRYXKFL-UHFFFAOYSA-N 1 1 273.296 1.245 50 5 CDBAMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](CCn1cncn1)CC2 ZINC000088607220 285142047 /nfs/dbraw/zinc/14/20/47/285142047.db2.gz OFIRMFLTRYXKFL-UHFFFAOYSA-N 1 1 273.296 1.245 50 5 CDBAMO O=[N+]([O-])c1cccnc1N1CC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000585092658 930922804 /nfs/dbraw/zinc/92/28/04/930922804.db2.gz IPNVVVDGAUVNRH-SECBINFHSA-N 1 1 259.269 1.707 50 5 CDBAMO CC(C)(C)OC(=O)[C@@H]([NH3+])Cc1ccc([N+](=O)[O-])cc1 ZINC000034602168 357611093 /nfs/dbraw/zinc/61/10/93/357611093.db2.gz WFXHVZZCTZMYSA-NSHDSACASA-N 1 1 266.297 1.806 50 5 CDBAMO COc1cc(C[N@@H+]2CCC[C@H]2CO)c([N+](=O)[O-])cc1OC ZINC000016662680 360278449 /nfs/dbraw/zinc/27/84/49/360278449.db2.gz OIDTUERXEMTVOY-NSHDSACASA-N 1 1 296.323 1.569 50 5 CDBAMO COc1cc(C[N@H+]2CCC[C@H]2CO)c([N+](=O)[O-])cc1OC ZINC000016662680 360278452 /nfs/dbraw/zinc/27/84/52/360278452.db2.gz OIDTUERXEMTVOY-NSHDSACASA-N 1 1 296.323 1.569 50 5 CDBAMO NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000004987194 170049643 /nfs/dbraw/zinc/04/96/43/170049643.db2.gz SFTGNNSWLGSSMZ-LLVKDONJSA-N 1 1 263.297 1.292 50 5 CDBAMO CC[NH+]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000020608794 171267593 /nfs/dbraw/zinc/26/75/93/171267593.db2.gz HQXICBNBENMSEE-UHFFFAOYSA-N 1 1 277.324 1.301 50 5 CDBAMO C[N@@H+]1C[C@H]2CN(c3cc(N)ccc3[N+](=O)[O-])C[C@H]2C1 ZINC000193536960 277199175 /nfs/dbraw/zinc/19/91/75/277199175.db2.gz IEKNBCDHXFAFHD-AOOOYVTPSA-N 1 1 262.313 1.175 50 5 CDBAMO CC[N@@H+](CCO)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000095376597 374892666 /nfs/dbraw/zinc/89/26/66/374892666.db2.gz RTIAAYSQKVCRIQ-UHFFFAOYSA-N 1 1 295.339 1.546 50 5 CDBAMO O=C(NCCC[NH+]1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000020356199 171156689 /nfs/dbraw/zinc/15/66/89/171156689.db2.gz SPGJFTDZJFKBRG-UHFFFAOYSA-N 1 1 293.323 1.047 50 5 CDBAMO CC[NH+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000000127890 359119999 /nfs/dbraw/zinc/11/99/99/359119999.db2.gz NRAVTQRADONGPG-UHFFFAOYSA-N 1 1 263.297 1.373 50 5 CDBAMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@H](O)C1 ZINC000034887453 364022237 /nfs/dbraw/zinc/02/22/37/364022237.db2.gz PQWGTNGDOZCMIA-GWCFXTLKSA-N 1 1 293.323 1.379 50 5 CDBAMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@H](O)C1 ZINC000034887453 364022240 /nfs/dbraw/zinc/02/22/40/364022240.db2.gz PQWGTNGDOZCMIA-GWCFXTLKSA-N 1 1 293.323 1.379 50 5 CDBAMO O=C(C[NH+]1CCCC1)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000008730080 170350864 /nfs/dbraw/zinc/35/08/64/170350864.db2.gz KKZPSZXXEMMZPX-UHFFFAOYSA-N 1 1 267.260 1.768 50 5 CDBAMO CC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000015173941 273666743 /nfs/dbraw/zinc/66/67/43/273666743.db2.gz HFYYOGVVSCULRL-UHFFFAOYSA-N 1 1 280.284 1.645 50 5 CDBAMO CC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000004984045 360011778 /nfs/dbraw/zinc/01/17/78/360011778.db2.gz XMJXGMZBNFICRS-UHFFFAOYSA-N 1 1 253.277 1.876 50 5 CDBAMO C[N@H+]1CC[C@]2(C1)CCCN(c1ncccc1[N+](=O)[O-])C2 ZINC000585092010 930920122 /nfs/dbraw/zinc/92/01/22/930920122.db2.gz AMFUOWBTZWBSGJ-AWEZNQCLSA-N 1 1 276.340 1.912 50 5 CDBAMO CC[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000004819519 170022456 /nfs/dbraw/zinc/02/24/56/170022456.db2.gz ZSHXOBLXFDDREA-UHFFFAOYSA-N 1 1 277.324 1.681 50 5 CDBAMO Cc1[nH+]ccn1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000097085526 357948851 /nfs/dbraw/zinc/94/88/51/357948851.db2.gz FGOKGZFRTOVSTM-UHFFFAOYSA-N 1 1 295.320 1.574 50 5 CDBAMO O=[N+]([O-])c1ccn(CC[N@@H+]2CCOc3ccccc3C2)n1 ZINC000089865491 366948050 /nfs/dbraw/zinc/94/80/50/366948050.db2.gz ROFQIFIRAKDRMN-UHFFFAOYSA-N 1 1 288.307 1.686 50 5 CDBAMO O=[N+]([O-])c1ccn(CC[N@H+]2CCOc3ccccc3C2)n1 ZINC000089865491 366948060 /nfs/dbraw/zinc/94/80/60/366948060.db2.gz ROFQIFIRAKDRMN-UHFFFAOYSA-N 1 1 288.307 1.686 50 5 CDBAMO O=[N+]([O-])c1ccsc1NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000108329606 412824322 /nfs/dbraw/zinc/82/43/22/412824322.db2.gz DYMYCDDBKOLASH-UWVGGRQHSA-N 1 1 283.353 1.931 50 5 CDBAMO COc1cccc(NCC[N@H+]2CCCOCC2)c1[N+](=O)[O-] ZINC000188497620 376304488 /nfs/dbraw/zinc/30/44/88/376304488.db2.gz IPMPLBUCPVVFKG-UHFFFAOYSA-N 1 1 295.339 1.738 50 5 CDBAMO O=[N+]([O-])c1c(N2CC[N@H+]3CCC[C@@H]3C2)nc2ccccn21 ZINC000024659946 275032681 /nfs/dbraw/zinc/03/26/81/275032681.db2.gz HZIKEQWYTKADBL-LLVKDONJSA-N 1 1 287.323 1.527 50 5 CDBAMO COc1c2c(cc3c1[C@H](C[N+](=O)[O-])[N@H+](C)CC3)OCO2 ZINC000020311221 277365510 /nfs/dbraw/zinc/36/55/10/277365510.db2.gz SFTLDAVMHMOGKU-VIFPVBQESA-N 1 1 280.280 1.230 50 5 biogenic CDBAMO COc1c2c(cc3c1[C@H](C[N+](=O)[O-])[N@@H+](C)CC3)OCO2 ZINC000020311221 277365511 /nfs/dbraw/zinc/36/55/11/277365511.db2.gz SFTLDAVMHMOGKU-VIFPVBQESA-N 1 1 280.280 1.230 50 5 biogenic CDBAMO COC(=O)c1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000029218694 375391795 /nfs/dbraw/zinc/39/17/95/375391795.db2.gz GGKDLVUWXYEOLC-UHFFFAOYSA-N 1 1 279.296 1.133 50 5 CDBAMO O=C(NCCC[NH+]1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000019535683 374747672 /nfs/dbraw/zinc/74/76/72/374747672.db2.gz ZEWOVHOFRWMQPJ-UHFFFAOYSA-N 1 1 293.323 1.047 50 5 CDBAMO C[NH+]1CCN(C(=S)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000019842019 374804215 /nfs/dbraw/zinc/80/42/15/374804215.db2.gz LRSSLFRPVMFDRE-UHFFFAOYSA-N 1 1 265.338 1.518 50 5 CDBAMO CN1CC[NH+](Cc2c[nH]c3cc([N+](=O)[O-])ccc23)CC1 ZINC000328578030 345791865 /nfs/dbraw/zinc/79/18/65/345791865.db2.gz LGTPLBQTVISMCH-UHFFFAOYSA-N 1 1 274.324 1.824 50 5 CDBAMO O=[N+]([O-])c1cnc2c(c1)C[N@H+](CCn1ccnc1)CC2 ZINC000097373840 356094786 /nfs/dbraw/zinc/09/47/86/356094786.db2.gz DVQLHLMAIGOSLD-UHFFFAOYSA-N 1 1 273.296 1.245 50 5 CDBAMO CC[C@@](C)([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)C(N)=O ZINC000097082862 357945780 /nfs/dbraw/zinc/94/57/80/357945780.db2.gz KJVRQFJVOUVWPX-GFCCVEGCSA-N 1 1 285.731 1.992 50 5 CDBAMO Cc1ccnc(N2CC[NH+](CCCF)CC2)c1[N+](=O)[O-] ZINC000521398648 359969714 /nfs/dbraw/zinc/96/97/14/359969714.db2.gz WFEXVQBUNDOSBJ-UHFFFAOYSA-N 1 1 282.319 1.780 50 5 CDBAMO CC[NH+]1CCN(C(=S)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000055526427 374897830 /nfs/dbraw/zinc/89/78/30/374897830.db2.gz OBXBYWMIZVRLAE-UHFFFAOYSA-N 1 1 279.365 1.908 50 5 CDBAMO Cc1ccc(OCCC[NH+]2CCN(C)CC2)c([N+](=O)[O-])c1 ZINC000003003518 375503816 /nfs/dbraw/zinc/50/38/16/375503816.db2.gz SKLCLUKYEUBFIC-UHFFFAOYSA-N 1 1 293.367 1.920 50 5 CDBAMO C[NH+]1CCN(C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000024233096 260127476 /nfs/dbraw/zinc/12/74/76/260127476.db2.gz BCDDQEHIEKNYOF-UHFFFAOYSA-N 1 1 264.285 1.374 50 5 CDBAMO C[NH+]1CCN(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000000258982 359400529 /nfs/dbraw/zinc/40/05/29/359400529.db2.gz QVEBCLSPQOTMJT-UHFFFAOYSA-N 1 1 298.730 1.140 50 5 CDBAMO C[NH+]1CCN(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000004996843 170052123 /nfs/dbraw/zinc/05/21/23/170052123.db2.gz VJOUFXWCCFEHEH-UHFFFAOYSA-N 1 1 298.730 1.140 50 5 CDBAMO CC[C@H]1CCCCC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000195531483 397727322 /nfs/dbraw/zinc/72/73/22/397727322.db2.gz WSCOTZVHVRZXJG-GXTWGEPZSA-N 1 1 296.371 1.807 50 5 CDBAMO Cc1cc(N2CC[NH+]([C@H]3CCOC3)CC2)ncc1[N+](=O)[O-] ZINC000084116890 483247867 /nfs/dbraw/zinc/24/78/67/483247867.db2.gz HCEATAGLARIYCE-LBPRGKRZSA-N 1 1 292.339 1.209 50 5 CDBAMO O=[N+]([O-])c1ccc(Cl)cc1N1CC[NH+](CCO)CC1 ZINC000019537069 275035797 /nfs/dbraw/zinc/03/57/97/275035797.db2.gz JHLAXAREQLFKHO-UHFFFAOYSA-N 1 1 285.731 1.363 50 5 CDBAMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000089819061 366941323 /nfs/dbraw/zinc/94/13/23/366941323.db2.gz MMBKPZLIMAEUCO-UPJWGTAASA-N 1 1 281.356 1.129 50 5 CDBAMO C[NH+]1CCN(c2cc(N3CCCC3)ccc2[N+](=O)[O-])CC1 ZINC000004455697 273899511 /nfs/dbraw/zinc/89/95/11/273899511.db2.gz KJPRSFLHKDRLCX-UHFFFAOYSA-N 1 1 290.367 1.947 50 5 CDBAMO C[C@@H]1C[N@@H+](C)C[C@H](C)N1C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000095975214 185050796 /nfs/dbraw/zinc/05/07/96/185050796.db2.gz DBMCUEPUTZVJSS-AOOOYVTPSA-N 1 1 278.312 1.154 50 5 CDBAMO C[C@@H]1C[N@H+](C)C[C@H](C)N1C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000095975214 185050798 /nfs/dbraw/zinc/05/07/98/185050798.db2.gz DBMCUEPUTZVJSS-AOOOYVTPSA-N 1 1 278.312 1.154 50 5 CDBAMO COC(=O)c1ccc(/C=C/[NH+](C)C)c([N+](=O)[O-])c1 ZINC000055526907 374900317 /nfs/dbraw/zinc/90/03/17/374900317.db2.gz RTGNZFSMKJWWKA-VOTSOKGWSA-N 1 1 250.254 1.914 50 5 CDBAMO [NH2+]=C1Nc2nc3ccccc3n2[C@@H](c2ccc([N+](=O)[O-])o2)N1 ZINC000004864696 170033030 /nfs/dbraw/zinc/03/30/30/170033030.db2.gz MJBDJYFOGFLXAU-NSHDSACASA-N 1 1 298.262 1.825 50 5 CDBAMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[NH+](C)CC1 ZINC000012980239 374623491 /nfs/dbraw/zinc/62/34/91/374623491.db2.gz KWPUKNRENFDEQD-LLVKDONJSA-N 1 1 292.339 1.169 50 5 CDBAMO O=[N+]([O-])c1ccc(Cl)cc1CN1CC[NH+](CCO)CC1 ZINC000004948437 170044558 /nfs/dbraw/zinc/04/45/58/170044558.db2.gz ZQTDDMVYJCBWAB-UHFFFAOYSA-N 1 1 299.758 1.358 50 5 CDBAMO Cc1cc(N2CC[C@@]3(CCC[N@@H+]3C)C2)ncc1[N+](=O)[O-] ZINC000952880566 910441989 /nfs/dbraw/zinc/44/19/89/910441989.db2.gz BZMXHTIYBHUXQP-AWEZNQCLSA-N 1 1 276.340 1.973 50 5 CDBAMO Cc1ccnc(N2C[C@@H]3C[N@@H+](C)CC[C@@H]3C2)c1[N+](=O)[O-] ZINC000585092356 362013520 /nfs/dbraw/zinc/01/35/20/362013520.db2.gz RHVIFJPCVACWDJ-NEPJUHHUSA-N 1 1 276.340 1.686 50 5 CDBAMO C[NH+]1CCN(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000000369132 359589797 /nfs/dbraw/zinc/58/97/97/359589797.db2.gz BKFPAKCMQFTXDC-UHFFFAOYSA-N 1 1 298.730 1.140 50 5 CDBAMO