smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc(C[N@H+](C)Cc2ccoc2C)cc([N+](=O)[O-])c1O ZINC000092438413 185318454 /nfs/dbraw/zinc/31/84/54/185318454.db2.gz KPKGHFLDXJQDHF-UHFFFAOYSA-N 1 2 306.318 2.842 50 5 DFBALO COc1cc(C[N@@H+](C)Cc2ccoc2C)cc([N+](=O)[O-])c1O ZINC000092438413 185318455 /nfs/dbraw/zinc/31/84/55/185318455.db2.gz KPKGHFLDXJQDHF-UHFFFAOYSA-N 1 2 306.318 2.842 50 5 DFBALO O=[N+]([O-])c1ccc(-c2[nH+]ccn2C[C@@H](O)CC(F)(F)F)cc1 ZINC000189359739 200387068 /nfs/dbraw/zinc/38/70/68/200387068.db2.gz HWIMXLCJCQNTNN-NSHDSACASA-N 1 2 315.251 2.772 50 5 DFBALO O=[N+]([O-])c1ccc(CN2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000000237046 425546866 /nfs/dbraw/zinc/54/68/66/425546866.db2.gz GVRDXGPVYIZUBU-UHFFFAOYSA-N 1 2 317.414 2.974 50 5 DFBALO C[N@H+](CC(=O)Nc1cccc([N+](=O)[O-])c1)Cc1ccsc1 ZINC000007926921 425656643 /nfs/dbraw/zinc/65/66/43/425656643.db2.gz QTLGYPJISSLIQK-UHFFFAOYSA-N 1 2 305.359 2.727 50 5 DFBALO C[N@@H+](CC(=O)Nc1cccc([N+](=O)[O-])c1)Cc1ccsc1 ZINC000007926921 425656646 /nfs/dbraw/zinc/65/66/46/425656646.db2.gz QTLGYPJISSLIQK-UHFFFAOYSA-N 1 2 305.359 2.727 50 5 DFBALO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)OCc1c[nH+]cn1C ZINC000072310781 426014374 /nfs/dbraw/zinc/01/43/74/426014374.db2.gz BIAUAELEOVNPPV-SNVBAGLBSA-N 1 2 321.358 2.552 50 5 DFBALO COc1cc(NCCc2cn3ccccc3[nH+]2)ccc1[N+](=O)[O-] ZINC000076061533 426096794 /nfs/dbraw/zinc/09/67/94/426096794.db2.gz JMINGUPFUILVBV-UHFFFAOYSA-N 1 2 312.329 2.906 50 5 DFBALO CC(C)(CNc1ccc([N+](=O)[O-])cc1Cl)[NH+]1CCOCC1 ZINC000023295807 182356532 /nfs/dbraw/zinc/35/65/32/182356532.db2.gz LMOGJKSTJHQSCH-UHFFFAOYSA-N 1 2 313.785 2.771 50 5 DFBALO CCC[C@H](C)NC(=O)C[N@H+](CC)Cc1cccc([N+](=O)[O-])c1 ZINC000040088660 183032616 /nfs/dbraw/zinc/03/26/16/183032616.db2.gz VBLNRVFWDOYTSZ-ZDUSSCGKSA-N 1 2 307.394 2.722 50 5 DFBALO CCC[C@H](C)NC(=O)C[N@@H+](CC)Cc1cccc([N+](=O)[O-])c1 ZINC000040088660 183032619 /nfs/dbraw/zinc/03/26/19/183032619.db2.gz VBLNRVFWDOYTSZ-ZDUSSCGKSA-N 1 2 307.394 2.722 50 5 DFBALO O=[N+]([O-])c1ccc2nc(NCCCn3cc[nH+]c3)sc2c1 ZINC000091424653 542541048 /nfs/dbraw/zinc/54/10/48/542541048.db2.gz AEPBCCHVYAKNRI-UHFFFAOYSA-N 1 2 303.347 2.903 50 5 DFBALO Cc1[nH+]c2ccccc2n1CCNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000008134410 425661061 /nfs/dbraw/zinc/66/10/61/425661061.db2.gz SZLYWKLQOYRVTC-UHFFFAOYSA-N 1 2 324.340 2.683 50 5 DFBALO CCN1c2ccccc2[N@@H+](CC(=O)c2cccc([N+](=O)[O-])c2)C1=N ZINC000022146238 425795808 /nfs/dbraw/zinc/79/58/08/425795808.db2.gz LDWPPOJNWJTTAL-UHFFFAOYSA-N 1 2 324.340 2.733 50 5 DFBALO CCN1c2ccccc2[N@H+](CC(=O)c2cccc([N+](=O)[O-])c2)C1=N ZINC000022146238 425795811 /nfs/dbraw/zinc/79/58/11/425795811.db2.gz LDWPPOJNWJTTAL-UHFFFAOYSA-N 1 2 324.340 2.733 50 5 DFBALO O=[N+]([O-])c1ccc(NCc2cccc(Cn3cc[nH+]c3)c2)nc1 ZINC000030587552 425832181 /nfs/dbraw/zinc/83/21/81/425832181.db2.gz IYRBNLXHRRAQPU-UHFFFAOYSA-N 1 2 309.329 2.847 50 5 DFBALO Cc1ccc(C[N@H+](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)o1 ZINC000003422204 181017765 /nfs/dbraw/zinc/01/77/65/181017765.db2.gz NMECLYPGNNJSKO-UHFFFAOYSA-N 1 2 303.318 2.567 50 5 DFBALO Cc1ccc(C[N@@H+](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)o1 ZINC000003422204 181017767 /nfs/dbraw/zinc/01/77/67/181017767.db2.gz NMECLYPGNNJSKO-UHFFFAOYSA-N 1 2 303.318 2.567 50 5 DFBALO Cc1ccn2cc(CCNC(=O)c3ccc([N+](=O)[O-])cc3)[nH+]c2c1 ZINC000004248441 181087590 /nfs/dbraw/zinc/08/75/90/181087590.db2.gz CFAUPNIOFJBRCZ-UHFFFAOYSA-N 1 2 324.340 2.523 50 5 DFBALO Cc1cc(N(CCO)C(C)C)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000075109710 398786751 /nfs/dbraw/zinc/78/67/51/398786751.db2.gz NKEDZPKVKXRLEB-UHFFFAOYSA-N 1 2 316.361 2.567 50 5 DFBALO [NH3+][C@H](CC(=O)c1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl ZINC000019300393 182114111 /nfs/dbraw/zinc/11/41/11/182114111.db2.gz CTBPJQRKQDPECC-SECBINFHSA-N 1 2 311.552 2.865 50 5 DFBALO CCC[C@H](C)NC(=O)C[N@H+](CC)Cc1ccccc1[N+](=O)[O-] ZINC000040087769 183032958 /nfs/dbraw/zinc/03/29/58/183032958.db2.gz LFIPUFPNJHSIBQ-ZDUSSCGKSA-N 1 2 307.394 2.722 50 5 DFBALO CCC[C@H](C)NC(=O)C[N@@H+](CC)Cc1ccccc1[N+](=O)[O-] ZINC000040087769 183032959 /nfs/dbraw/zinc/03/29/59/183032959.db2.gz LFIPUFPNJHSIBQ-ZDUSSCGKSA-N 1 2 307.394 2.722 50 5 DFBALO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)Cn1ncn(C)c1=S ZINC000057103900 184027582 /nfs/dbraw/zinc/02/75/82/184027582.db2.gz UFERUNHJKBBGRI-UHFFFAOYSA-N 1 2 321.406 2.727 50 5 DFBALO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)Cn1ncn(C)c1=S ZINC000057103900 184027583 /nfs/dbraw/zinc/02/75/83/184027583.db2.gz UFERUNHJKBBGRI-UHFFFAOYSA-N 1 2 321.406 2.727 50 5 DFBALO O=[N+]([O-])c1ccccc1/C=C/C[NH+]1CCN(c2ccccn2)CC1 ZINC000016662949 425785508 /nfs/dbraw/zinc/78/55/08/425785508.db2.gz DKBDJGBSNZSUFW-FNORWQNLSA-N 1 2 324.384 2.825 50 5 DFBALO Cc1cc(C)n(C[C@H](C)C[NH2+]Cc2cc(O)ccc2[N+](=O)[O-])n1 ZINC000089594088 301240633 /nfs/dbraw/zinc/24/06/33/301240633.db2.gz CBTIZINZUAIJHB-LLVKDONJSA-N 1 2 318.377 2.540 50 5 DFBALO Cc1nn(Cc2ccc(N(C)C)[nH+]c2)c2ccc([N+](=O)[O-])cc12 ZINC000585137075 398435141 /nfs/dbraw/zinc/43/51/41/398435141.db2.gz GZCMZMDEPMUPEC-UHFFFAOYSA-N 1 2 311.345 2.762 50 5 DFBALO COc1cc(C[N@@H+]2CCc3ccccc3C2)cc([N+](=O)[O-])c1O ZINC000004990237 181185990 /nfs/dbraw/zinc/18/59/90/181185990.db2.gz VKHKAJWKEDGEPV-UHFFFAOYSA-N 1 2 314.341 2.867 50 5 DFBALO COc1cc(C[N@H+]2CCc3ccccc3C2)cc([N+](=O)[O-])c1O ZINC000004990237 181185993 /nfs/dbraw/zinc/18/59/93/181185993.db2.gz VKHKAJWKEDGEPV-UHFFFAOYSA-N 1 2 314.341 2.867 50 5 DFBALO O=C(OCc1cccc([N+](=O)[O-])c1)c1ccc(-n2cc[nH+]c2)nc1 ZINC000170604708 399010314 /nfs/dbraw/zinc/01/03/14/399010314.db2.gz YTTDACWASHEBDX-UHFFFAOYSA-N 1 2 324.296 2.533 50 5 DFBALO O=C(Cc1cccc([N+](=O)[O-])c1)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000095961427 193460790 /nfs/dbraw/zinc/46/07/90/193460790.db2.gz ZWUAUCMLZFDLKW-UHFFFAOYSA-N 1 2 322.324 2.962 50 5 DFBALO O=C(C[N@@H+]1CCc2ccccc2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000006880833 425631340 /nfs/dbraw/zinc/63/13/40/425631340.db2.gz UXLSGLWACQIZHV-UHFFFAOYSA-N 1 2 311.341 2.592 50 5 DFBALO O=C(C[N@H+]1CCc2ccccc2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000006880833 425631342 /nfs/dbraw/zinc/63/13/42/425631342.db2.gz UXLSGLWACQIZHV-UHFFFAOYSA-N 1 2 311.341 2.592 50 5 DFBALO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)OCc1c[nH+]cn1C ZINC000072310780 426014439 /nfs/dbraw/zinc/01/44/39/426014439.db2.gz BIAUAELEOVNPPV-JTQLQIEISA-N 1 2 321.358 2.552 50 5 DFBALO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCc1ccc(N)[nH+]c1 ZINC000170618487 426140673 /nfs/dbraw/zinc/14/06/73/426140673.db2.gz FREBDCZYPVKXHY-UHFFFAOYSA-N 1 2 315.333 2.511 50 5 DFBALO Cc1nc2n(n1)CCC[C@H]2[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000090227495 426325085 /nfs/dbraw/zinc/32/50/85/426325085.db2.gz MYQVNGBFWPLWMH-QMTHXVAHSA-N 1 2 301.350 2.680 50 5 DFBALO CN1CC[NH+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000004986221 181184878 /nfs/dbraw/zinc/18/48/78/181184878.db2.gz AAKIEBZFPOJIQD-UHFFFAOYSA-N 1 2 301.346 2.602 50 5 DFBALO Cc1nn(Cc2cn3cc(Cl)ccc3[nH+]2)c(C)c1[N+](=O)[O-] ZINC000005186469 181215232 /nfs/dbraw/zinc/21/52/32/181215232.db2.gz HMKNMXLIOGEUTC-UHFFFAOYSA-N 1 2 305.725 2.758 50 5 DFBALO Cn1cc[nH+]c1[C@@H](Nc1ccc([N+](=O)[O-])cn1)c1ccccc1 ZINC000017590198 182084562 /nfs/dbraw/zinc/08/45/62/182084562.db2.gz DCODRBYIFKFBAW-HNNXBMFYSA-N 1 2 309.329 2.925 50 5 DFBALO [NH3+][C@@H](CC(=O)c1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl ZINC000019300391 182114654 /nfs/dbraw/zinc/11/46/54/182114654.db2.gz CTBPJQRKQDPECC-VIFPVBQESA-N 1 2 311.552 2.865 50 5 DFBALO COc1cccc(N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c1[N+](=O)[O-] ZINC000249289415 146193300 /nfs/dbraw/zinc/19/33/00/146193300.db2.gz JZZSTXNLNHOWBP-GXTWGEPZSA-N 1 2 316.361 2.887 50 5 DFBALO O=[N+]([O-])c1cccc(C[NH+]2CCN(c3ccccc3O)CC2)c1 ZINC000057833911 425897103 /nfs/dbraw/zinc/89/71/03/425897103.db2.gz PHUZXPARWBLIRD-UHFFFAOYSA-N 1 2 313.357 2.623 50 5 DFBALO Cc1cc(N2CCSCC2)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000076833091 185045893 /nfs/dbraw/zinc/04/58/93/185045893.db2.gz RJXXWCJRTHUDSO-UHFFFAOYSA-N 1 2 316.386 2.913 50 5 DFBALO Cc1cccc(C(=O)NCc2[nH+]ccn2CC(C)C)c1[N+](=O)[O-] ZINC000131043382 196134784 /nfs/dbraw/zinc/13/47/84/196134784.db2.gz HUVCXVMLVGNOLK-UHFFFAOYSA-N 1 2 316.361 2.686 50 5 DFBALO O=[N+]([O-])c1ccc(CN2CC[NH+](Cc3ccco3)CC2)cc1 ZINC000000169378 425542451 /nfs/dbraw/zinc/54/24/51/425542451.db2.gz HTTOPZXLJIPTFT-UHFFFAOYSA-N 1 2 301.346 2.506 50 5 DFBALO O=[N+]([O-])c1ccc(C[NH+]2CCN(Cc3ccco3)CC2)cc1 ZINC000000169378 425542457 /nfs/dbraw/zinc/54/24/57/425542457.db2.gz HTTOPZXLJIPTFT-UHFFFAOYSA-N 1 2 301.346 2.506 50 5 DFBALO Cc1cc(Cn2cc[nH+]c2)c(C)c([N+](=O)[O-])c1Cn1ccnc1 ZINC000000499622 425565006 /nfs/dbraw/zinc/56/50/06/425565006.db2.gz DLENMQKOYIQQQV-UHFFFAOYSA-N 1 2 311.345 2.701 50 5 DFBALO Cc1cc(Cn2ccnc2)c(C)c([N+](=O)[O-])c1Cn1cc[nH+]c1 ZINC000000499622 425565009 /nfs/dbraw/zinc/56/50/09/425565009.db2.gz DLENMQKOYIQQQV-UHFFFAOYSA-N 1 2 311.345 2.701 50 5 DFBALO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCCCCC1 ZINC000009367133 425688382 /nfs/dbraw/zinc/68/83/82/425688382.db2.gz VLGDUFBKZOPRQL-UHFFFAOYSA-N 1 2 314.345 2.797 50 5 DFBALO COc1ccc([N+](=O)[O-])cc1CNC(=O)Nc1cc[nH+]cc1C ZINC000179856087 316020188 /nfs/dbraw/zinc/02/01/88/316020188.db2.gz PAXYJEGDJUMDBV-UHFFFAOYSA-N 1 2 316.317 2.629 50 5 DFBALO Cc1ccc(C[NH2+]Cc2nnc3n2CCCCC3)cc1[N+](=O)[O-] ZINC000061015503 399147612 /nfs/dbraw/zinc/14/76/12/399147612.db2.gz FTZGDMSKFLLPES-UHFFFAOYSA-N 1 2 315.377 2.511 50 5 DFBALO Cc1c(C(=O)Nc2ccc[nH+]c2N(C)C)cccc1[N+](=O)[O-] ZINC000049727857 425880233 /nfs/dbraw/zinc/88/02/33/425880233.db2.gz YRMASULSRXHXMO-UHFFFAOYSA-N 1 2 300.318 2.617 50 5 DFBALO Cc1cc(NC(=O)N(C)CCCn2cc[nH+]c2)ccc1[N+](=O)[O-] ZINC000097163042 426456634 /nfs/dbraw/zinc/45/66/34/426456634.db2.gz UWNAQXHFIYAFPR-UHFFFAOYSA-N 1 2 317.349 2.654 50 5 DFBALO COc1cccc(N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1[N+](=O)[O-] ZINC000185559720 427670558 /nfs/dbraw/zinc/67/05/58/427670558.db2.gz JZZSTXNLNHOWBP-OCCSQVGLSA-N 1 2 316.361 2.887 50 5 DFBALO CNc1ccc(C[N@@H+]2CCO[C@@H](c3ccco3)C2)cc1[N+](=O)[O-] ZINC000093841462 193315859 /nfs/dbraw/zinc/31/58/59/193315859.db2.gz DMLWIPQNOZRYDO-MRXNPFEDSA-N 1 2 317.345 2.803 50 5 DFBALO CNc1ccc(C[N@H+]2CCO[C@@H](c3ccco3)C2)cc1[N+](=O)[O-] ZINC000093841462 193315861 /nfs/dbraw/zinc/31/58/61/193315861.db2.gz DMLWIPQNOZRYDO-MRXNPFEDSA-N 1 2 317.345 2.803 50 5 DFBALO CC[N@H+](CC(=O)NCCC(C)C)Cc1cccc([N+](=O)[O-])c1 ZINC000040088661 183032708 /nfs/dbraw/zinc/03/27/08/183032708.db2.gz ZECATLAFZGDBNC-UHFFFAOYSA-N 1 2 307.394 2.579 50 5 DFBALO CC[N@@H+](CC(=O)NCCC(C)C)Cc1cccc([N+](=O)[O-])c1 ZINC000040088661 183032710 /nfs/dbraw/zinc/03/27/10/183032710.db2.gz ZECATLAFZGDBNC-UHFFFAOYSA-N 1 2 307.394 2.579 50 5 DFBALO O=[N+]([O-])c1cc(C[NH+]2CCN(c3ccc(O)cc3)CC2)cs1 ZINC000047264485 134748343 /nfs/dbraw/zinc/74/83/43/134748343.db2.gz RCUADYKRXFXFRS-UHFFFAOYSA-N 1 2 319.386 2.684 50 5 DFBALO CC[N@H+](Cc1ccoc1C(=O)OC)Cc1cccc([N+](=O)[O-])c1 ZINC000030967602 425833694 /nfs/dbraw/zinc/83/36/94/425833694.db2.gz SXHDWQXRPCGGNM-UHFFFAOYSA-N 1 2 318.329 2.997 50 5 DFBALO CC[N@@H+](Cc1ccoc1C(=O)OC)Cc1cccc([N+](=O)[O-])c1 ZINC000030967602 425833695 /nfs/dbraw/zinc/83/36/95/425833695.db2.gz SXHDWQXRPCGGNM-UHFFFAOYSA-N 1 2 318.329 2.997 50 5 DFBALO O=[N+]([O-])c1cccc([C@@H](O)Cn2cc[nH+]c2-c2cccnc2)c1 ZINC000095974672 426380707 /nfs/dbraw/zinc/38/07/07/426380707.db2.gz IPUJQQLHMUMHPY-HNNXBMFYSA-N 1 2 310.313 2.587 50 5 DFBALO O=[N+]([O-])c1c(N2CCCC[C@H]2c2[nH]cc[nH+]2)nc2ccccn21 ZINC000225452399 304798270 /nfs/dbraw/zinc/79/82/70/304798270.db2.gz AJXSIZBJEYVPOZ-NSHDSACASA-N 1 2 312.333 2.697 50 5 DFBALO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CC(n2cc[nH+]c2)C1 ZINC000095462311 185371003 /nfs/dbraw/zinc/37/10/03/185371003.db2.gz BZXCQZBYBJMTHB-UHFFFAOYSA-N 1 2 321.724 2.534 50 5 DFBALO O=[N+]([O-])c1ccccc1CN1CC[NH+](Cc2ccco2)CC1 ZINC000004550951 181124074 /nfs/dbraw/zinc/12/40/74/181124074.db2.gz QTDAWVWPUGWWDC-UHFFFAOYSA-N 1 2 301.346 2.506 50 5 DFBALO O=C(C[NH+]1CCCCC1)Nc1nc2cc([N+](=O)[O-])ccc2s1 ZINC000059381672 399110190 /nfs/dbraw/zinc/11/01/90/399110190.db2.gz SHUYEJHSBNNBGR-UHFFFAOYSA-N 1 2 320.374 2.629 50 5 DFBALO O=[N+]([O-])c1ccc(Nc2ccc([NH+]3CCC(O)CC3)cc2)nc1 ZINC000052210932 425884011 /nfs/dbraw/zinc/88/40/11/425884011.db2.gz GLMVRDCNBWEXFH-UHFFFAOYSA-N 1 2 314.345 2.695 50 5 DFBALO CC(C)Cn1cc[nH+]c1CNC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000130829962 196113866 /nfs/dbraw/zinc/11/38/66/196113866.db2.gz SNRQEMIHXDYOLA-UHFFFAOYSA-N 1 2 320.324 2.516 50 5 DFBALO C[N@H+](Cc1ccco1)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000032825195 425839978 /nfs/dbraw/zinc/83/99/78/425839978.db2.gz WCMAFPMUGUNWJA-UHFFFAOYSA-N 1 2 314.301 2.870 50 5 DFBALO C[N@@H+](Cc1ccco1)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000032825195 425839979 /nfs/dbraw/zinc/83/99/79/425839979.db2.gz WCMAFPMUGUNWJA-UHFFFAOYSA-N 1 2 314.301 2.870 50 5 DFBALO O=[N+]([O-])c1cnn(CC[N@@H+]2CCc3c(Cl)cccc3C2)c1 ZINC000096445732 426427274 /nfs/dbraw/zinc/42/72/74/426427274.db2.gz DXQFTAFPSHOEDH-UHFFFAOYSA-N 1 2 306.753 2.503 50 5 DFBALO O=[N+]([O-])c1cnn(CC[N@H+]2CCc3c(Cl)cccc3C2)c1 ZINC000096445732 426427277 /nfs/dbraw/zinc/42/72/77/426427277.db2.gz DXQFTAFPSHOEDH-UHFFFAOYSA-N 1 2 306.753 2.503 50 5 DFBALO COc1cc(NCc2ccc[nH+]c2N(C)C)ccc1[N+](=O)[O-] ZINC000095403073 185354829 /nfs/dbraw/zinc/35/48/29/185354829.db2.gz NKGMWCZLJFZTNC-UHFFFAOYSA-N 1 2 302.334 2.677 50 5 DFBALO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]1c1[nH+]ccn1C ZINC000095456718 185369928 /nfs/dbraw/zinc/36/99/28/185369928.db2.gz LHXHQZSYOMRXTC-AWEZNQCLSA-N 1 2 314.345 2.614 50 5 DFBALO CNc1ccc(C[N@@H+]2CCO[C@H](c3ccco3)C2)cc1[N+](=O)[O-] ZINC000093841461 193316866 /nfs/dbraw/zinc/31/68/66/193316866.db2.gz DMLWIPQNOZRYDO-INIZCTEOSA-N 1 2 317.345 2.803 50 5 DFBALO CNc1ccc(C[N@H+]2CCO[C@H](c3ccco3)C2)cc1[N+](=O)[O-] ZINC000093841461 193316867 /nfs/dbraw/zinc/31/68/67/193316867.db2.gz DMLWIPQNOZRYDO-INIZCTEOSA-N 1 2 317.345 2.803 50 5 DFBALO CC1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC000032478001 425838716 /nfs/dbraw/zinc/83/87/16/425838716.db2.gz LQNVTZVVTOAIMH-UHFFFAOYSA-N 1 2 314.345 2.653 50 5 DFBALO Cc1ccc([N+](=O)[O-])c(C)c1S(=O)(=O)Nc1cc[nH+]cc1C ZINC000096433483 426423406 /nfs/dbraw/zinc/42/34/06/426423406.db2.gz RALRUEBRXBFNDA-UHFFFAOYSA-N 1 2 321.358 2.716 50 5 DFBALO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]1c1[nH+]ccn1C ZINC000095456717 185370083 /nfs/dbraw/zinc/37/00/83/185370083.db2.gz LHXHQZSYOMRXTC-CQSZACIVSA-N 1 2 314.345 2.614 50 5 DFBALO CC(C)Cn1cc[nH+]c1CNc1nc2sccn2c1[N+](=O)[O-] ZINC000078336744 426165758 /nfs/dbraw/zinc/16/57/58/426165758.db2.gz KOCMNSRRDNKUSM-UHFFFAOYSA-N 1 2 320.378 2.769 50 5 DFBALO CC1CC[NH+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000004977157 181183197 /nfs/dbraw/zinc/18/31/97/181183197.db2.gz FIJHZJHBFZXHKT-UHFFFAOYSA-N 1 2 311.769 2.919 50 5 DFBALO CC[N@H+](CC(=O)N[C@@H](C)C(C)C)Cc1ccccc1[N+](=O)[O-] ZINC000040087773 183032991 /nfs/dbraw/zinc/03/29/91/183032991.db2.gz XNKUCFGCAAQHCC-ZDUSSCGKSA-N 1 2 307.394 2.577 50 5 DFBALO CC[N@@H+](CC(=O)N[C@@H](C)C(C)C)Cc1ccccc1[N+](=O)[O-] ZINC000040087773 183032993 /nfs/dbraw/zinc/03/29/93/183032993.db2.gz XNKUCFGCAAQHCC-ZDUSSCGKSA-N 1 2 307.394 2.577 50 5 DFBALO CCC(CC)NC(=O)C[N@H+](CC)Cc1ccccc1[N+](=O)[O-] ZINC000040087770 183033058 /nfs/dbraw/zinc/03/30/58/183033058.db2.gz SPKKPQCANSEVLZ-UHFFFAOYSA-N 1 2 307.394 2.722 50 5 DFBALO CCC(CC)NC(=O)C[N@@H+](CC)Cc1ccccc1[N+](=O)[O-] ZINC000040087770 183033059 /nfs/dbraw/zinc/03/30/59/183033059.db2.gz SPKKPQCANSEVLZ-UHFFFAOYSA-N 1 2 307.394 2.722 50 5 DFBALO CCC[C@@H](C)NC(=O)C[N@H+](CC)Cc1cccc([N+](=O)[O-])c1 ZINC000040088659 183033087 /nfs/dbraw/zinc/03/30/87/183033087.db2.gz VBLNRVFWDOYTSZ-CYBMUJFWSA-N 1 2 307.394 2.722 50 5 DFBALO CCC[C@@H](C)NC(=O)C[N@@H+](CC)Cc1cccc([N+](=O)[O-])c1 ZINC000040088659 183033089 /nfs/dbraw/zinc/03/30/89/183033089.db2.gz VBLNRVFWDOYTSZ-CYBMUJFWSA-N 1 2 307.394 2.722 50 5 DFBALO COc1cc(C[N@H+](C)Cc2c(C)noc2C)c([N+](=O)[O-])cc1O ZINC000091814666 542543057 /nfs/dbraw/zinc/54/30/57/542543057.db2.gz FPCMMEHHRNLOFA-UHFFFAOYSA-N 1 2 321.333 2.546 50 5 DFBALO COc1cc(C[N@@H+](C)Cc2c(C)noc2C)c([N+](=O)[O-])cc1O ZINC000091814666 542543061 /nfs/dbraw/zinc/54/30/61/542543061.db2.gz FPCMMEHHRNLOFA-UHFFFAOYSA-N 1 2 321.333 2.546 50 5 DFBALO Cc1ccc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)nc1 ZINC000008746415 425675083 /nfs/dbraw/zinc/67/50/83/425675083.db2.gz GPDVOZCBHDBNSO-UHFFFAOYSA-N 1 2 323.312 2.736 50 5 DFBALO CC(C)[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)c1[nH+]ccn1C ZINC000032933003 425840859 /nfs/dbraw/zinc/84/08/59/425840859.db2.gz CAQZNQCOZPCYPY-ZDUSSCGKSA-N 1 2 317.349 2.847 50 5 DFBALO COc1cc(CNc2ccc(C)[nH+]c2C)cc([N+](=O)[O-])c1O ZINC000119056243 426258499 /nfs/dbraw/zinc/25/84/99/426258499.db2.gz KUWDIPWGZUISJG-UHFFFAOYSA-N 1 2 303.318 2.933 50 5 DFBALO O=[N+]([O-])c1cccc([C@H](O)Cn2cc[nH+]c2-c2cccnc2)c1 ZINC000095974671 426380225 /nfs/dbraw/zinc/38/02/25/426380225.db2.gz IPUJQQLHMUMHPY-OAHLLOKOSA-N 1 2 310.313 2.587 50 5 DFBALO Cc1cc([N+](=O)[O-])sc1N1CC[NH+](Cc2ccco2)CC1 ZINC000065523954 184359572 /nfs/dbraw/zinc/35/95/72/184359572.db2.gz RVAKBEWXSHKOCE-UHFFFAOYSA-N 1 2 307.375 2.880 50 5 DFBALO O=C(Nc1ccccc1O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000033226532 425841523 /nfs/dbraw/zinc/84/15/23/425841523.db2.gz LEJDGBYMELTTFL-UHFFFAOYSA-N 1 2 324.296 2.738 50 5 DFBALO Cc1ccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)c(C)[nH+]1 ZINC000121533588 426348799 /nfs/dbraw/zinc/34/87/99/426348799.db2.gz GKACLZXATVXSCY-UHFFFAOYSA-N 1 2 301.302 2.624 50 5 DFBALO Nc1cc(COC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc[nH+]1 ZINC000225842689 426613964 /nfs/dbraw/zinc/61/39/64/426613964.db2.gz CFLWGTPBLDJRSA-UHFFFAOYSA-N 1 2 307.693 2.582 50 5 DFBALO O=[N+]([O-])c1ccc(-c2[nH+]ccn2C[C@H](O)CC(F)(F)F)cc1 ZINC000189359716 200386871 /nfs/dbraw/zinc/38/68/71/200386871.db2.gz HWIMXLCJCQNTNN-LLVKDONJSA-N 1 2 315.251 2.772 50 5 DFBALO Cc1cc(NC[C@H]2CCOC2)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000058208892 184087951 /nfs/dbraw/zinc/08/79/51/184087951.db2.gz VDMAJCVKKIGMRM-GFCCVEGCSA-N 1 2 314.345 2.809 50 5 DFBALO CNC(=O)CSc1nc2ccccc2c2[nH+]c3ccccc3n21 ZINC000004246533 425619354 /nfs/dbraw/zinc/61/93/54/425619354.db2.gz CPBRKLFURDMWSO-UHFFFAOYSA-N 1 2 322.393 2.874 50 5 DFBALO CCN(c1cc[nH+]cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000152647119 426349011 /nfs/dbraw/zinc/34/90/11/426349011.db2.gz WSTXRRTXVDYRGJ-UHFFFAOYSA-N 1 2 321.358 2.513 50 5 DFBALO Cc1nc2n(n1)CCC[C@H]2[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000090227491 279137308 /nfs/dbraw/zinc/13/73/08/279137308.db2.gz MYQVNGBFWPLWMH-IINYFYTJSA-N 1 2 301.350 2.680 50 5 DFBALO O=[N+]([O-])c1c(N2CCCC[C@@H]2c2[nH]cc[nH+]2)nc2ccccn21 ZINC000225452364 304798164 /nfs/dbraw/zinc/79/81/64/304798164.db2.gz AJXSIZBJEYVPOZ-LLVKDONJSA-N 1 2 312.333 2.697 50 5 DFBALO O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1-n1cc[nH+]c1 ZINC000004301557 285084735 /nfs/dbraw/zinc/08/47/35/285084735.db2.gz SBQIXEKWOOYYMX-UHFFFAOYSA-N 1 2 302.168 2.708 50 5 DFBALO O=C(OCc1ccc(-n2cc[nH+]c2)nc1)c1ccc([N+](=O)[O-])cc1 ZINC000078426435 542481663 /nfs/dbraw/zinc/48/16/63/542481663.db2.gz ZZOLXJWNWMHJRP-UHFFFAOYSA-N 1 2 324.296 2.533 50 5 DFBALO COc1cc(C[N@H+](C)Cc2ccoc2C)c([N+](=O)[O-])cc1O ZINC000092451842 542547011 /nfs/dbraw/zinc/54/70/11/542547011.db2.gz WZGZRFKKIAFKTB-UHFFFAOYSA-N 1 2 306.318 2.842 50 5 DFBALO COc1cc(C[N@@H+](C)Cc2ccoc2C)c([N+](=O)[O-])cc1O ZINC000092451842 542547015 /nfs/dbraw/zinc/54/70/15/542547015.db2.gz WZGZRFKKIAFKTB-UHFFFAOYSA-N 1 2 306.318 2.842 50 5 DFBALO Cc1nnc([C@H]2CCC[N@@H+]2CCOc2ccccc2[N+](=O)[O-])o1 ZINC000089736293 426304776 /nfs/dbraw/zinc/30/47/76/426304776.db2.gz UKWVPEJGBMYGSA-CYBMUJFWSA-N 1 2 318.333 2.502 50 5 DFBALO Cc1nnc([C@H]2CCC[N@H+]2CCOc2ccccc2[N+](=O)[O-])o1 ZINC000089736293 426304781 /nfs/dbraw/zinc/30/47/81/426304781.db2.gz UKWVPEJGBMYGSA-CYBMUJFWSA-N 1 2 318.333 2.502 50 5 DFBALO C[C@@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])c1nnc2ccccn21 ZINC000097111422 426450696 /nfs/dbraw/zinc/45/06/96/426450696.db2.gz FJLZRCQBIIBZAF-SNVBAGLBSA-N 1 2 315.308 2.627 50 5 DFBALO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCCCn1cc[nH+]c1 ZINC000097380035 426465325 /nfs/dbraw/zinc/46/53/25/426465325.db2.gz JBFMFCGLDCCBQK-UHFFFAOYSA-N 1 2 317.349 2.620 50 5 DFBALO CCn1nc(C)c([N+](=O)[O-])c1NC[C@H]1CCCn2cc(C)[nH+]c21 ZINC000253427764 276722426 /nfs/dbraw/zinc/72/24/26/276722426.db2.gz AMXUHAYAFFTXNJ-GFCCVEGCSA-N 1 2 318.381 2.614 50 5 DFBALO COc1ccc([C@@H](CO)[N@H+](C)Cc2csc([N+](=O)[O-])c2)cc1 ZINC000071904360 426001897 /nfs/dbraw/zinc/00/18/97/426001897.db2.gz XDPSWKSDAPNCKA-CQSZACIVSA-N 1 2 322.386 2.830 50 5 DFBALO COc1ccc([C@@H](CO)[N@@H+](C)Cc2csc([N+](=O)[O-])c2)cc1 ZINC000071904360 426001900 /nfs/dbraw/zinc/00/19/00/426001900.db2.gz XDPSWKSDAPNCKA-CQSZACIVSA-N 1 2 322.386 2.830 50 5 DFBALO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000253423019 427209410 /nfs/dbraw/zinc/20/94/10/427209410.db2.gz UCMVHVGVKBMJSS-ZDUSSCGKSA-N 1 2 300.318 2.604 50 5 DFBALO COc1cccc(N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1[N+](=O)[O-] ZINC000185559736 295305892 /nfs/dbraw/zinc/30/58/92/295305892.db2.gz JZZSTXNLNHOWBP-JSGCOSHPSA-N 1 2 316.361 2.887 50 5 DFBALO C[C@@H](C(=O)OC(C)(C)C)[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000072311437 191119240 /nfs/dbraw/zinc/11/92/40/191119240.db2.gz OZIXBRMHVGGFSR-LBPRGKRZSA-N 1 2 324.377 2.636 50 5 DFBALO C[C@@H](C(=O)OC(C)(C)C)[N@@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000072311437 191119243 /nfs/dbraw/zinc/11/92/43/191119243.db2.gz OZIXBRMHVGGFSR-LBPRGKRZSA-N 1 2 324.377 2.636 50 5 DFBALO CCOC(=O)C1=C(C)NC(=[NH2+])S[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000096028228 398659642 /nfs/dbraw/zinc/65/96/42/398659642.db2.gz OKUPRIZZYZRSEN-LBPRGKRZSA-N 1 2 321.358 2.535 50 5 DFBALO CN1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000004986589 181184969 /nfs/dbraw/zinc/18/49/69/181184969.db2.gz RWECPDTUBHTUJG-UHFFFAOYSA-N 1 2 301.346 2.602 50 5 DFBALO CC1CC[NH+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000006637361 181363230 /nfs/dbraw/zinc/36/32/30/181363230.db2.gz NQCMFDRITXOCBH-UHFFFAOYSA-N 1 2 311.769 2.919 50 5 DFBALO Cn1cc[nH+]c1CN(C(=O)Nc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000040139365 183039066 /nfs/dbraw/zinc/03/90/66/183039066.db2.gz YPQIIGKOHHZSAH-UHFFFAOYSA-N 1 2 315.333 2.525 50 5 DFBALO Cc1cc(N)nc(SCCCOc2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000048363856 183651387 /nfs/dbraw/zinc/65/13/87/183651387.db2.gz IKSIKLMQBPNHAD-UHFFFAOYSA-N 1 2 320.374 2.837 50 5 DFBALO Cc1ccc2[nH+]c(COC(=O)c3ccc([N+](=O)[O-])s3)cn2c1 ZINC000008424849 425668471 /nfs/dbraw/zinc/66/84/71/425668471.db2.gz QZNBPHWMOPSIQJ-UHFFFAOYSA-N 1 2 317.326 2.969 50 5 DFBALO O=C(C[N@@H+]1CCc2sccc2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000008763059 425676100 /nfs/dbraw/zinc/67/61/00/425676100.db2.gz OKYBSASLWDAKOQ-UHFFFAOYSA-N 1 2 317.370 2.653 50 5 DFBALO O=C(C[N@H+]1CCc2sccc2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000008763059 425676103 /nfs/dbraw/zinc/67/61/03/425676103.db2.gz OKYBSASLWDAKOQ-UHFFFAOYSA-N 1 2 317.370 2.653 50 5 DFBALO O=[N+]([O-])c1cc(C[NH+]2CCN(c3ccccc3)CC2)ccc1O ZINC000004639260 425619034 /nfs/dbraw/zinc/61/90/34/425619034.db2.gz RFOOCTIUWMGNJG-UHFFFAOYSA-N 1 2 313.357 2.623 50 5 DFBALO O=C(NCc1cn2ccccc2[nH+]1)Nc1cccc([N+](=O)[O-])c1 ZINC000018172453 182095713 /nfs/dbraw/zinc/09/57/13/182095713.db2.gz FVITYUAWLCLLLF-UHFFFAOYSA-N 1 2 311.301 2.564 50 5 DFBALO Cc1c(NC(=O)c2ccc(-n3cc[nH+]c3)nc2)cccc1[N+](=O)[O-] ZINC000024549464 182383564 /nfs/dbraw/zinc/38/35/64/182383564.db2.gz PYLSOWCKNKKOHU-UHFFFAOYSA-N 1 2 323.312 2.736 50 5 DFBALO CCC[C@@H](C)NC(=O)C[N@H+](CC)Cc1ccccc1[N+](=O)[O-] ZINC000040087768 183032717 /nfs/dbraw/zinc/03/27/17/183032717.db2.gz LFIPUFPNJHSIBQ-CYBMUJFWSA-N 1 2 307.394 2.722 50 5 DFBALO CCC[C@@H](C)NC(=O)C[N@@H+](CC)Cc1ccccc1[N+](=O)[O-] ZINC000040087768 183032720 /nfs/dbraw/zinc/03/27/20/183032720.db2.gz LFIPUFPNJHSIBQ-CYBMUJFWSA-N 1 2 307.394 2.722 50 5 DFBALO CC[N@H+](CC(=O)NCCC(C)C)Cc1ccccc1[N+](=O)[O-] ZINC000040087772 183032901 /nfs/dbraw/zinc/03/29/01/183032901.db2.gz NRWNLLXJAOPUSI-UHFFFAOYSA-N 1 2 307.394 2.579 50 5 DFBALO CC[N@@H+](CC(=O)NCCC(C)C)Cc1ccccc1[N+](=O)[O-] ZINC000040087772 183032902 /nfs/dbraw/zinc/03/29/02/183032902.db2.gz NRWNLLXJAOPUSI-UHFFFAOYSA-N 1 2 307.394 2.579 50 5 DFBALO c1ccc2c(c1)nc1c3ccccc3nc(C[NH+]3CCOCC3)n21 ZINC000019997682 285525526 /nfs/dbraw/zinc/52/55/26/285525526.db2.gz AVMOXRBLEWHGTH-UHFFFAOYSA-N 1 2 318.380 2.868 50 5 DFBALO COc1ccc([C@H](CO)[N@H+](C)Cc2csc([N+](=O)[O-])c2)cc1 ZINC000071904359 426002250 /nfs/dbraw/zinc/00/22/50/426002250.db2.gz XDPSWKSDAPNCKA-AWEZNQCLSA-N 1 2 322.386 2.830 50 5 DFBALO COc1ccc([C@H](CO)[N@@H+](C)Cc2csc([N+](=O)[O-])c2)cc1 ZINC000071904359 426002253 /nfs/dbraw/zinc/00/22/53/426002253.db2.gz XDPSWKSDAPNCKA-AWEZNQCLSA-N 1 2 322.386 2.830 50 5 DFBALO O=[N+]([O-])c1ccc(CC[NH2+]c2ccc(-n3cncn3)cc2)cc1 ZINC000097113993 426451468 /nfs/dbraw/zinc/45/14/68/426451468.db2.gz GGFUZWUAXGPGLJ-UHFFFAOYSA-N 1 2 309.329 2.830 50 5 DFBALO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000328587797 231231674 /nfs/dbraw/zinc/23/16/74/231231674.db2.gz IDDYFFAHFRPZDW-UHFFFAOYSA-N 1 2 314.345 2.646 50 5 DFBALO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000328587797 231231677 /nfs/dbraw/zinc/23/16/77/231231677.db2.gz IDDYFFAHFRPZDW-UHFFFAOYSA-N 1 2 314.345 2.646 50 5 DFBALO C[C@H](C(=O)OC(C)(C)C)[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000072311438 191119908 /nfs/dbraw/zinc/11/99/08/191119908.db2.gz OZIXBRMHVGGFSR-GFCCVEGCSA-N 1 2 324.377 2.636 50 5 DFBALO C[C@H](C(=O)OC(C)(C)C)[N@@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000072311438 191119910 /nfs/dbraw/zinc/11/99/10/191119910.db2.gz OZIXBRMHVGGFSR-GFCCVEGCSA-N 1 2 324.377 2.636 50 5 DFBALO C[C@@H]1CCCN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000170606562 399010050 /nfs/dbraw/zinc/01/00/50/399010050.db2.gz IDEHAVWEVIHGSE-CQSZACIVSA-N 1 2 319.405 2.663 50 5 DFBALO CCn1nc(C)c(C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)c1C ZINC000093338289 193234388 /nfs/dbraw/zinc/23/43/88/193234388.db2.gz LISVZYVMUDCPDZ-UHFFFAOYSA-N 1 2 314.389 2.986 50 5 DFBALO CCn1nc(C)c(C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)c1C ZINC000093338289 193234390 /nfs/dbraw/zinc/23/43/90/193234390.db2.gz LISVZYVMUDCPDZ-UHFFFAOYSA-N 1 2 314.389 2.986 50 5 DFBALO Cc1cccnc1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000009741158 425692488 /nfs/dbraw/zinc/69/24/88/425692488.db2.gz NCIDFIJVYOJJIG-UHFFFAOYSA-N 1 2 323.312 2.736 50 5 DFBALO CN(C(=O)C[N@H+](C)Cc1ccsc1)c1ccc([N+](=O)[O-])cc1 ZINC000032857867 425840203 /nfs/dbraw/zinc/84/02/03/425840203.db2.gz IQLOUDAJIJDLCN-UHFFFAOYSA-N 1 2 319.386 2.751 50 5 DFBALO CN(C(=O)C[N@@H+](C)Cc1ccsc1)c1ccc([N+](=O)[O-])cc1 ZINC000032857867 425840204 /nfs/dbraw/zinc/84/02/04/425840204.db2.gz IQLOUDAJIJDLCN-UHFFFAOYSA-N 1 2 319.386 2.751 50 5 DFBALO Cc1nc([N+](=O)[O-])c(NCc2cn3cc(Cl)ccc3[nH+]2)n1C ZINC000103844363 425954301 /nfs/dbraw/zinc/95/43/01/425954301.db2.gz ZZDOIAOTPZRLPO-UHFFFAOYSA-N 1 2 320.740 2.550 50 5 DFBALO CC(C)[N@H+](Cc1cnn(C)c1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000069705889 425954606 /nfs/dbraw/zinc/95/46/06/425954606.db2.gz BJZOBJYFWNKSSO-UHFFFAOYSA-N 1 2 306.341 2.878 50 5 DFBALO CC(C)[N@@H+](Cc1cnn(C)c1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000069705889 425954608 /nfs/dbraw/zinc/95/46/08/425954608.db2.gz BJZOBJYFWNKSSO-UHFFFAOYSA-N 1 2 306.341 2.878 50 5 DFBALO CCC[C@H](C)[N@@H+]1Cc2cccc(NC(=O)[C@H]3C[C@H]3[N+](=O)[O-])c2C1 ZINC000241837489 426719608 /nfs/dbraw/zinc/71/96/08/426719608.db2.gz SKNUYERSJJXHNK-DETPVDSQSA-N 1 2 317.389 2.795 50 5 DFBALO CCC[C@H](C)[N@H+]1Cc2cccc(NC(=O)[C@H]3C[C@H]3[N+](=O)[O-])c2C1 ZINC000241837489 426719613 /nfs/dbraw/zinc/71/96/13/426719613.db2.gz SKNUYERSJJXHNK-DETPVDSQSA-N 1 2 317.389 2.795 50 5 DFBALO CC(C)[C@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)c1[nH+]ccn1C ZINC000032933001 277913638 /nfs/dbraw/zinc/91/36/38/277913638.db2.gz KETKELGKEIMMMJ-ZDUSSCGKSA-N 1 2 317.349 2.847 50 5 DFBALO CCN1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000004985425 181184358 /nfs/dbraw/zinc/18/43/58/181184358.db2.gz XEYHVAVTZZJBQQ-UHFFFAOYSA-N 1 2 315.373 2.992 50 5 DFBALO Cc1ccccc1N1CC[NH+](Cc2ccc([N+](=O)[O-])o2)CC1 ZINC000000282569 425551301 /nfs/dbraw/zinc/55/13/01/425551301.db2.gz TXLPEAKUNDOIOB-UHFFFAOYSA-N 1 2 301.346 2.818 50 5 DFBALO Cn1c(CCNc2ccc([N+](=O)[O-])cn2)[nH+]c2ccc(F)cc21 ZINC000071920525 426004228 /nfs/dbraw/zinc/00/42/28/426004228.db2.gz RKJNZIJOZJKWMZ-UHFFFAOYSA-N 1 2 315.308 2.670 50 5 DFBALO COc1cccc(N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c1[N+](=O)[O-] ZINC000249289417 427104827 /nfs/dbraw/zinc/10/48/27/427104827.db2.gz JZZSTXNLNHOWBP-TZMCWYRMSA-N 1 2 316.361 2.887 50 5 DFBALO CCOC(=O)C1=C(C)NC(=[NH2+])S[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000096028227 398659776 /nfs/dbraw/zinc/65/97/76/398659776.db2.gz OKUPRIZZYZRSEN-GFCCVEGCSA-N 1 2 321.358 2.535 50 5 DFBALO Cn1cc[nH+]c1[C@H](Nc1ccc([N+](=O)[O-])cn1)c1ccccc1 ZINC000017590199 182084558 /nfs/dbraw/zinc/08/45/58/182084558.db2.gz DCODRBYIFKFBAW-OAHLLOKOSA-N 1 2 309.329 2.925 50 5 DFBALO O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCc2[nH+]c[nH]c2C1 ZINC000408518331 257255371 /nfs/dbraw/zinc/25/53/71/257255371.db2.gz AYQSZBPOLRXGEC-UHFFFAOYSA-N 1 2 312.251 2.899 50 5 DFBALO O=[N+]([O-])c1ccc(C[NH+]2CCN(c3ccccc3F)CC2)o1 ZINC000000292138 425551206 /nfs/dbraw/zinc/55/12/06/425551206.db2.gz XZHTUIUXDCPMOS-UHFFFAOYSA-N 1 2 305.309 2.649 50 5 DFBALO Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000090227492 426325258 /nfs/dbraw/zinc/32/52/58/426325258.db2.gz MYQVNGBFWPLWMH-YGRLFVJLSA-N 1 2 301.350 2.680 50 5 DFBALO Cc1cccn2cc(CCNC(=O)c3ccc([N+](=O)[O-])cc3)[nH+]c12 ZINC000004248460 181087873 /nfs/dbraw/zinc/08/78/73/181087873.db2.gz ULSLFRUEGMEXCA-UHFFFAOYSA-N 1 2 324.340 2.523 50 5 DFBALO O=[N+]([O-])c1cnn(C[NH+]2CCC(Cc3ccccc3)CC2)c1 ZINC000014194766 542423937 /nfs/dbraw/zinc/42/39/37/542423937.db2.gz VFDRXVRTZWOEDD-UHFFFAOYSA-N 1 2 300.362 2.704 50 5 DFBALO Cc1nn(C)c(NCc2cccc(-c3[nH]cc[nH+]3)c2)c1[N+](=O)[O-] ZINC000341935298 257237124 /nfs/dbraw/zinc/23/71/24/257237124.db2.gz NDIGMUQZRDKELB-UHFFFAOYSA-N 1 2 312.333 2.639 50 5 DFBALO O=[N+]([O-])c1c(NCc2cn3ccccc3[nH+]2)nc2sccn21 ZINC000009156844 425682033 /nfs/dbraw/zinc/68/20/33/425682033.db2.gz IJCHULFDSROIIO-UHFFFAOYSA-N 1 2 314.330 2.564 50 5 DFBALO CCC[C@H](C)[N@@H+]1Cc2cccc(NC(=O)[C@@H]3C[C@@H]3[N+](=O)[O-])c2C1 ZINC000069898170 425962968 /nfs/dbraw/zinc/96/29/68/425962968.db2.gz SKNUYERSJJXHNK-GHJWDPDVSA-N 1 2 317.389 2.795 50 5 DFBALO CCC[C@H](C)[N@H+]1Cc2cccc(NC(=O)[C@@H]3C[C@@H]3[N+](=O)[O-])c2C1 ZINC000069898170 425962971 /nfs/dbraw/zinc/96/29/71/425962971.db2.gz SKNUYERSJJXHNK-GHJWDPDVSA-N 1 2 317.389 2.795 50 5 DFBALO NC(=O)CSc1nc2ccccc2c2[nH+]c3ccccc3n21 ZINC000002869215 274934410 /nfs/dbraw/zinc/93/44/10/274934410.db2.gz PKIOFAQFDMAWKR-UHFFFAOYSA-N 1 2 308.366 2.613 50 5 DFBALO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000253423013 427209120 /nfs/dbraw/zinc/20/91/20/427209120.db2.gz UCMVHVGVKBMJSS-CYBMUJFWSA-N 1 2 300.318 2.604 50 5 DFBALO C[N@H+](Cc1ccc(CO)o1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000179788230 199080644 /nfs/dbraw/zinc/08/06/44/199080644.db2.gz PCKRCXFQAKKVBA-UHFFFAOYSA-N 1 2 310.737 2.966 50 5 DFBALO C[N@@H+](Cc1ccc(CO)o1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000179788230 199080646 /nfs/dbraw/zinc/08/06/46/199080646.db2.gz PCKRCXFQAKKVBA-UHFFFAOYSA-N 1 2 310.737 2.966 50 5 DFBALO CCN1c2ccccc2[N@@H+](CC(=O)c2ccc([N+](=O)[O-])cc2)C1=N ZINC000019855185 182157314 /nfs/dbraw/zinc/15/73/14/182157314.db2.gz CRNBYYYJSRLMRP-UHFFFAOYSA-N 1 2 324.340 2.733 50 5 DFBALO CCN1c2ccccc2[N@H+](CC(=O)c2ccc([N+](=O)[O-])cc2)C1=N ZINC000019855185 182157315 /nfs/dbraw/zinc/15/73/15/182157315.db2.gz CRNBYYYJSRLMRP-UHFFFAOYSA-N 1 2 324.340 2.733 50 5 DFBALO C[N@H+](CC(=O)Nc1cccc(F)c1)Cc1ccc([N+](=O)[O-])cc1 ZINC000057455903 184038866 /nfs/dbraw/zinc/03/88/66/184038866.db2.gz GKINTEIOMSKNTE-UHFFFAOYSA-N 1 2 317.320 2.804 50 5 DFBALO C[N@@H+](CC(=O)Nc1cccc(F)c1)Cc1ccc([N+](=O)[O-])cc1 ZINC000057455903 184038867 /nfs/dbraw/zinc/03/88/67/184038867.db2.gz GKINTEIOMSKNTE-UHFFFAOYSA-N 1 2 317.320 2.804 50 5 DFBALO O=C(OCc1cccc([N+](=O)[O-])c1)c1ccnc(-n2cc[nH+]c2)c1 ZINC000124997942 195701066 /nfs/dbraw/zinc/70/10/66/195701066.db2.gz MOHRWEQXSPYRNX-UHFFFAOYSA-N 1 2 324.296 2.533 50 5 DFBALO O=C(Nc1cccc([N+](=O)[O-])c1)N1CCC(n2cc[nH+]c2)CC1 ZINC000058158529 425897702 /nfs/dbraw/zinc/89/77/02/425897702.db2.gz POJYAHGAJGISGH-UHFFFAOYSA-N 1 2 315.333 2.660 50 5 DFBALO O=[N+]([O-])c1cccc(CN2CC[NH+](Cc3ccco3)CC2)c1 ZINC000000169394 425541988 /nfs/dbraw/zinc/54/19/88/425541988.db2.gz IBMIEFGZLDSKLM-UHFFFAOYSA-N 1 2 301.346 2.506 50 5 DFBALO O=[N+]([O-])c1ccc(C[NH+]2CCN(c3ccc(F)cc3)CC2)o1 ZINC000000207414 425545324 /nfs/dbraw/zinc/54/53/24/425545324.db2.gz CZXYSJYIXZQXRG-UHFFFAOYSA-N 1 2 305.309 2.649 50 5 DFBALO Cc1cccn2cc(CNC(=O)c3cccc(C)c3[N+](=O)[O-])[nH+]c12 ZINC000096405362 426414683 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C[N@@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C1CCS(=O)CC1 ZINC000097238697 398667234 /nfs/dbraw/zinc/66/72/34/398667234.db2.gz BHOKBSFLVOBGOB-UHFFFAOYSA-N 1 2 316.810 2.591 50 5 DFBALO C[N@H+](CC(=O)Nc1ccc(F)cc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000057455966 184039006 /nfs/dbraw/zinc/03/90/06/184039006.db2.gz DNVDQPFSBBMXEW-UHFFFAOYSA-N 1 2 317.320 2.804 50 5 DFBALO C[N@@H+](CC(=O)Nc1ccc(F)cc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000057455966 184039007 /nfs/dbraw/zinc/03/90/07/184039007.db2.gz DNVDQPFSBBMXEW-UHFFFAOYSA-N 1 2 317.320 2.804 50 5 DFBALO O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccccc1-n1cc[nH+]c1 ZINC000045859995 425862889 /nfs/dbraw/zinc/86/28/89/425862889.db2.gz QFBOWOCYWXNHNZ-UHFFFAOYSA-N 1 2 322.324 2.962 50 5 DFBALO Cc1[nH+]ccn1-c1nc(C)c([N+](=O)[O-])c(N(C)c2ccccc2)n1 ZINC000005276895 398350385 /nfs/dbraw/zinc/35/03/85/398350385.db2.gz USEAYZGMQLFZOA-UHFFFAOYSA-N 1 2 324.344 2.955 50 5 DFBALO Cc1cc(N2CC[NH+](Cc3cncs3)CC2)ccc1[N+](=O)[O-] ZINC000585132767 398433911 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2.795 50 5 DFBALO O=C(C[N@@H+]1CCc2ccccc2C1)Nc1cccc([N+](=O)[O-])c1 ZINC000007782846 425653064 /nfs/dbraw/zinc/65/30/64/425653064.db2.gz XFGOJIYHRLKQCN-UHFFFAOYSA-N 1 2 311.341 2.592 50 5 DFBALO O=C(C[N@H+]1CCc2ccccc2C1)Nc1cccc([N+](=O)[O-])c1 ZINC000007782846 425653068 /nfs/dbraw/zinc/65/30/68/425653068.db2.gz XFGOJIYHRLKQCN-UHFFFAOYSA-N 1 2 311.341 2.592 50 5 DFBALO O=[N+]([O-])c1ccc(N2CCN(c3cccc[nH+]3)CC2)c(Cl)c1 ZINC000005688429 425625545 /nfs/dbraw/zinc/62/55/45/425625545.db2.gz ALERHQZDTZAZKN-UHFFFAOYSA-N 1 2 318.764 2.970 50 5 DFBALO C[C@H]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000009155204 425682990 /nfs/dbraw/zinc/68/29/90/425682990.db2.gz QVHKMOAFCFEQRO-LBPRGKRZSA-N 1 2 314.345 2.653 50 5 DFBALO O=[N+]([O-])c1ccc(S(=O)(=O)/C=C/C=C/[NH+]2CCCCC2)cc1 ZINC000020036763 182182259 /nfs/dbraw/zinc/18/22/59/182182259.db2.gz OHMGDDPKUMUJJJ-QGVJZHQLSA-N 1 2 322.386 2.882 50 5 DFBALO O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccccc1-n1cc[nH+]c1 ZINC000045859978 183533405 /nfs/dbraw/zinc/53/34/05/183533405.db2.gz JIXVVEPDVKNKGR-UHFFFAOYSA-N 1 2 322.324 2.962 50 5 DFBALO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](C)Cc1cnn(C)c1 ZINC000069389286 425937646 /nfs/dbraw/zinc/93/76/46/425937646.db2.gz DKYMCNIOPQZGNX-UHFFFAOYSA-N 1 2 318.377 2.748 50 5 DFBALO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+](C)Cc1cnn(C)c1 ZINC000069389286 425937649 /nfs/dbraw/zinc/93/76/49/425937649.db2.gz DKYMCNIOPQZGNX-UHFFFAOYSA-N 1 2 318.377 2.748 50 5 DFBALO Cc1ccc2[nH+]c(COC(=O)c3cccc([N+](=O)[O-])c3)cn2c1 ZINC000008425178 425668934 /nfs/dbraw/zinc/66/89/34/425668934.db2.gz MMSGBDHQMWUQKF-UHFFFAOYSA-N 1 2 311.297 2.908 50 5 DFBALO O=C(C[N@H+](Cc1ccco1)C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000026928069 425813553 /nfs/dbraw/zinc/81/35/53/425813553.db2.gz KLIVKKBVGCDVPH-UHFFFAOYSA-N 1 2 315.329 2.791 50 5 DFBALO O=C(C[N@@H+](Cc1ccco1)C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000026928069 425813555 /nfs/dbraw/zinc/81/35/55/425813555.db2.gz KLIVKKBVGCDVPH-UHFFFAOYSA-N 1 2 315.329 2.791 50 5 DFBALO Cc1nnc([C@@H]2CCC[N@@H+]2CCOc2ccccc2[N+](=O)[O-])o1 ZINC000089736290 426304317 /nfs/dbraw/zinc/30/43/17/426304317.db2.gz UKWVPEJGBMYGSA-ZDUSSCGKSA-N 1 2 318.333 2.502 50 5 DFBALO Cc1nnc([C@@H]2CCC[N@H+]2CCOc2ccccc2[N+](=O)[O-])o1 ZINC000089736290 426304318 /nfs/dbraw/zinc/30/43/18/426304318.db2.gz UKWVPEJGBMYGSA-ZDUSSCGKSA-N 1 2 318.333 2.502 50 5 DFBALO COC(=O)c1ccc(C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)o1 ZINC000096461832 426431089 /nfs/dbraw/zinc/43/10/89/426431089.db2.gz FFNRBBGCEPDRDI-UHFFFAOYSA-N 1 2 316.313 2.533 50 5 DFBALO COC(=O)c1ccc(C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)o1 ZINC000096461832 426431092 /nfs/dbraw/zinc/43/10/92/426431092.db2.gz FFNRBBGCEPDRDI-UHFFFAOYSA-N 1 2 316.313 2.533 50 5 DFBALO CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000253427768 427208544 /nfs/dbraw/zinc/20/85/44/427208544.db2.gz AMXUHAYAFFTXNJ-LBPRGKRZSA-N 1 2 318.381 2.614 50 5 DFBALO CCN(c1cc[nH+]cc1)S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000175859809 323216559 /nfs/dbraw/zinc/21/65/59/323216559.db2.gz FBUFFCRMGOFOBZ-UHFFFAOYSA-N 1 2 321.358 2.513 50 5 DFBALO Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000090227487 185287518 /nfs/dbraw/zinc/28/75/18/185287518.db2.gz MYQVNGBFWPLWMH-HZMBPMFUSA-N 1 2 301.350 2.680 50 5 DFBALO CC[N@H+](CC(=O)N[C@H](C)C(C)C)Cc1ccccc1[N+](=O)[O-] ZINC000040087774 183032916 /nfs/dbraw/zinc/03/29/16/183032916.db2.gz XNKUCFGCAAQHCC-CYBMUJFWSA-N 1 2 307.394 2.577 50 5 DFBALO CC[N@@H+](CC(=O)N[C@H](C)C(C)C)Cc1ccccc1[N+](=O)[O-] ZINC000040087774 183032917 /nfs/dbraw/zinc/03/29/17/183032917.db2.gz XNKUCFGCAAQHCC-CYBMUJFWSA-N 1 2 307.394 2.577 50 5 DFBALO Cc1cc(NC[C@@H]2CCOC2)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000058208891 184088417 /nfs/dbraw/zinc/08/84/17/184088417.db2.gz VDMAJCVKKIGMRM-LBPRGKRZSA-N 1 2 314.345 2.809 50 5 DFBALO O=[N+]([O-])c1ccc(O)cc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000004639246 425619731 /nfs/dbraw/zinc/61/97/31/425619731.db2.gz PPJSSEWXZJRLLD-UHFFFAOYSA-N 1 2 313.357 2.623 50 5 DFBALO C[C@@H]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000009155203 425682889 /nfs/dbraw/zinc/68/28/89/425682889.db2.gz QVHKMOAFCFEQRO-GFCCVEGCSA-N 1 2 314.345 2.653 50 5 DFBALO Nc1ccc(CNc2ccc([N+](=O)[O-])cc2Br)c[nH+]1 ZINC000241657650 426717672 /nfs/dbraw/zinc/71/76/72/426717672.db2.gz PYCZBNOVAZYLDV-UHFFFAOYSA-N 1 2 323.150 2.947 50 5 DFBALO CCC[C@H](C)[N@@H+]1Cc2cccc(NC(=O)[C@H]3C[C@@H]3[N+](=O)[O-])c2C1 ZINC000241837491 426719429 /nfs/dbraw/zinc/71/94/29/426719429.db2.gz SKNUYERSJJXHNK-RBOXIYTFSA-N 1 2 317.389 2.795 50 5 DFBALO CCC[C@H](C)[N@H+]1Cc2cccc(NC(=O)[C@H]3C[C@@H]3[N+](=O)[O-])c2C1 ZINC000241837491 426719436 /nfs/dbraw/zinc/71/94/36/426719436.db2.gz SKNUYERSJJXHNK-RBOXIYTFSA-N 1 2 317.389 2.795 50 5 DFBALO CN1CC[NH+](Cc2cc(=O)oc3ccc4ccccc4c23)CC1 ZINC000020426974 277108872 /nfs/dbraw/zinc/10/88/72/277108872.db2.gz CKUICTQEOBDACZ-UHFFFAOYSA-N 1 2 308.381 2.694 50 5 DFBALO COc1c(C)c[nH+]c(CN(C)c2ncccc2[N+](=O)[O-])c1C ZINC000058544901 521808560 /nfs/dbraw/zinc/80/85/60/521808560.db2.gz VXFAYMFNWPYEML-UHFFFAOYSA-N 1 2 302.334 2.647 50 5 DFBALO C[C@H]1CCCN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000170606563 399009846 /nfs/dbraw/zinc/00/98/46/399009846.db2.gz IDEHAVWEVIHGSE-AWEZNQCLSA-N 1 2 319.405 2.663 50 5 DFBALO O=C(NCCCn1cc[nH+]c1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000017056749 182074059 /nfs/dbraw/zinc/07/40/59/182074059.db2.gz BGHSYAAEVRTCIT-UHFFFAOYSA-N 1 2 323.740 2.657 50 5 DFBALO Cc1[nH]c2c3ccccc3ccc2c(=O)c1C[NH+]1CCOCC1 ZINC000019791662 182149711 /nfs/dbraw/zinc/14/97/11/182149711.db2.gz SSUWFVCSNGUAQO-UHFFFAOYSA-N 1 2 308.381 2.822 50 5 DFBALO Cc1cc2[nH+]cn(-c3ccc(C(N)=O)cc3[N+](=O)[O-])c2cc1C ZINC000003444200 292026370 /nfs/dbraw/zinc/02/63/70/292026370.db2.gz PQWWLYGXXOJPBQ-UHFFFAOYSA-N 1 2 310.313 2.649 50 5 DFBALO CC(C)(C)OC(=O)N1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000021984967 182301343 /nfs/dbraw/zinc/30/13/43/182301343.db2.gz XWWBHMXIEAVTGS-UHFFFAOYSA-N 1 2 321.377 2.648 50 5 DFBALO O=[N+]([O-])c1cc(F)ccc1NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000058537487 184121841 /nfs/dbraw/zinc/12/18/41/184121841.db2.gz UYWXSZGUIVFJID-UHFFFAOYSA-N 1 2 313.292 2.927 50 5 DFBALO O=[N+]([O-])c1c(F)cccc1N1CCCN(c2cccc[nH+]2)CC1 ZINC000240871464 426715771 /nfs/dbraw/zinc/71/57/71/426715771.db2.gz IKSXAONRWKPSBN-UHFFFAOYSA-N 1 2 316.336 2.846 50 5 DFBALO CC(C)[C@@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)c1[nH+]ccn1C ZINC000032933000 277756812 /nfs/dbraw/zinc/75/68/12/277756812.db2.gz KETKELGKEIMMMJ-CYBMUJFWSA-N 1 2 317.349 2.847 50 5 DFBALO Cc1cc(C)n(C[C@@H](C)C[NH2+]Cc2cc(O)ccc2[N+](=O)[O-])n1 ZINC000089594086 301240107 /nfs/dbraw/zinc/24/01/07/301240107.db2.gz CBTIZINZUAIJHB-NSHDSACASA-N 1 2 318.377 2.540 50 5 DFBALO