smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(-c2n[nH]c(NC(=O)c3cc([N+](=O)[O-])cc(C)n3)n2)cc1 ZINC001648435824 1092216464 /nfs/dbraw/zinc/21/64/64/1092216464.db2.gz WGHKFCFAEJILDQ-UHFFFAOYSA-N 0 2 338.327 2.644 10 5 EFBELN COc1ccc2c(c1)N(C(=O)c1ccc([N+](=O)[O-])cc1O)CCC2 ZINC001585609494 1092522526 /nfs/dbraw/zinc/52/25/26/1092522526.db2.gz FFDNPLIHTMGEPS-UHFFFAOYSA-N 0 2 328.324 2.902 10 5 EFBELN O=C(Nc1nc2c(s1)CCCC2=O)c1ccc([N+](=O)[O-])cc1O ZINC001608054916 1097819055 /nfs/dbraw/zinc/81/90/55/1097819055.db2.gz NWQUCWRRQRFPLG-UHFFFAOYSA-N 0 2 333.325 2.528 10 5 EFBELN O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@@H]1CCOc2c(F)cccc21 ZINC001624546828 1099704441 /nfs/dbraw/zinc/70/44/41/1099704441.db2.gz LNPGJKIOERWSKG-LLVKDONJSA-N 0 2 332.287 2.944 10 5 EFBELN Cc1cccc(O[C@@H](C)CNC(=O)c2ccc([N+](=O)[O-])cc2O)c1 ZINC001628246663 1100081811 /nfs/dbraw/zinc/08/18/11/1100081811.db2.gz LLJGIRFMLLESOT-LBPRGKRZSA-N 0 2 330.340 2.806 10 5 EFBELN O=C(Nc1cc([N+](=O)[O-])ccc1O)C1(c2ccc3c(c2)OCO3)CC1 ZINC001632236769 1100461829 /nfs/dbraw/zinc/46/18/29/1100461829.db2.gz VYDNPSIGRYIXSO-UHFFFAOYSA-N 0 2 342.307 2.699 10 5 EFBELN C[C@@H]1C[C@]1(C(=O)Nc1cc([N+](=O)[O-])ccc1O)C(=O)OC(C)(C)C ZINC001633355024 1100538380 /nfs/dbraw/zinc/53/83/80/1100538380.db2.gz CZOXELXHXPZJTP-ABKXIKBNSA-N 0 2 336.344 2.607 10 5 EFBELN CN(C)c1ncc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1Cl ZINC001637881738 1100813724 /nfs/dbraw/zinc/81/37/24/1100813724.db2.gz PTJTVUUHVAILSL-UHFFFAOYSA-N 0 2 336.735 2.667 10 5 EFBELN COc1ccc2c(c1)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)CCO2 ZINC001638167183 1100839038 /nfs/dbraw/zinc/83/90/38/1100839038.db2.gz PQVGRAPTCGEBFZ-CQSZACIVSA-N 0 2 344.323 2.563 10 5 EFBELN Cc1cccc(CONC(=O)CSc2ccc([N+](=O)[O-])cc2)n1 ZINC001641575178 1101147583 /nfs/dbraw/zinc/14/75/83/1101147583.db2.gz KEDYZNSKLQOGME-UHFFFAOYSA-N 0 2 333.369 2.638 10 5 EFBELN O=C(Nc1cc(C(F)(F)F)c[nH]c1=O)c1cccc(O)c1[N+](=O)[O-] ZINC000339260826 303997698 /nfs/dbraw/zinc/99/76/98/303997698.db2.gz KUKSKYYRWKMYLM-UHFFFAOYSA-N 0 2 343.217 2.672 10 5 EFBELN O=C(c1ccccc1)c1ccc(Sc2n[nH]c(=O)[nH]2)c([N+](=O)[O-])c1 ZINC000192751751 240063200 /nfs/dbraw/zinc/06/32/00/240063200.db2.gz JRWIMXCKEASGCR-UHFFFAOYSA-N 0 2 342.336 2.801 10 5 EFBELN COc1ccccc1[C@H]1C[C@H]1NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000069537858 203017602 /nfs/dbraw/zinc/01/76/02/203017602.db2.gz IDNLCPFBZLQSHT-CHWSQXEVSA-N 0 2 328.324 2.595 10 5 EFBELN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC[C@H]1C[C@@H](O)c1ccco1 ZINC000159531440 206250773 /nfs/dbraw/zinc/25/07/73/206250773.db2.gz NOIHQLILHWKHBP-SWLSCSKDSA-N 0 2 346.339 2.622 10 5 EFBELN CCn1cc([N+](=O)[O-])c(C(=O)Nc2c(F)cc(C(C)=O)cc2F)n1 ZINC000427389952 247345837 /nfs/dbraw/zinc/34/58/37/247345837.db2.gz JKPOPFFHJFRXOL-UHFFFAOYSA-N 0 2 338.270 2.544 10 5 EFBELN CCn1ncc2cc(C(=O)Nc3ccc(O)c([N+](=O)[O-])c3)c(C)nc21 ZINC000442890184 250138704 /nfs/dbraw/zinc/13/87/04/250138704.db2.gz JJWJMXUYVZANHS-UHFFFAOYSA-N 0 2 341.327 2.626 10 5 EFBELN COc1cccc2c1[C@@H](C(=O)Nc1ccc(O)c([N+](=O)[O-])c1)CC2 ZINC000346303727 142186572 /nfs/dbraw/zinc/18/65/72/142186572.db2.gz BQHLUUMJVKNSLY-LBPRGKRZSA-N 0 2 328.324 2.978 10 5 EFBELN CN(CCOc1ccc(F)cc1)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000345641371 145585127 /nfs/dbraw/zinc/58/51/27/145585127.db2.gz OYICHKWRGQRIGS-UHFFFAOYSA-N 0 2 334.303 2.591 10 5 EFBELN CN(CCCNC(=O)c1cc(O)ccc1[N+](=O)[O-])c1ccccc1F ZINC000350699309 146081624 /nfs/dbraw/zinc/08/16/24/146081624.db2.gz JACBVAUNHJTOHM-UHFFFAOYSA-N 0 2 347.346 2.696 10 5 EFBELN CN(C[C@H]1OCCc2ccccc21)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000352158945 146303867 /nfs/dbraw/zinc/30/38/67/146303867.db2.gz PNRQMAZPXREMFV-QGZVFWFLSA-N 0 2 342.351 2.686 10 5 EFBELN O=C(N[C@H]1C[C@H]1c1c(F)cccc1F)c1cc(O)ccc1[N+](=O)[O-] ZINC000353066552 146389388 /nfs/dbraw/zinc/38/93/88/146389388.db2.gz WGJGKYFQWWIMHA-RNCFNFMXSA-N 0 2 334.278 2.865 10 5 EFBELN CCC1(CC)[C@H](NC(=O)c2cc(O)ccc2[N+](=O)[O-])[C@@H](C)[C@@H]1OC ZINC000355585440 147004090 /nfs/dbraw/zinc/00/40/90/147004090.db2.gz NMXSXKPPRPUEDD-KMUNFCNLSA-N 0 2 336.388 2.870 10 5 EFBELN CCC1(CC)[C@H](NC(=O)c2cc(O)ccc2[N+](=O)[O-])[C@H](C)[C@H]1OC ZINC000355585437 147004160 /nfs/dbraw/zinc/00/41/60/147004160.db2.gz NMXSXKPPRPUEDD-COLVAYQJSA-N 0 2 336.388 2.870 10 5 EFBELN CCC1(CC)[C@H](NC(=O)c2cc(O)ccc2[N+](=O)[O-])[C@H](C)[C@@H]1OC ZINC000355585444 147004169 /nfs/dbraw/zinc/00/41/69/147004169.db2.gz NMXSXKPPRPUEDD-VQISRLSMSA-N 0 2 336.388 2.870 10 5 EFBELN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1cccc(-c2n[nH]c(=O)[nH]2)c1 ZINC000355814357 147073388 /nfs/dbraw/zinc/07/33/88/147073388.db2.gz UCEFUOPWDPUSDG-UHFFFAOYSA-N 0 2 339.311 2.646 10 5 EFBELN Cn1nc(C2CCCC2)cc1NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000355869384 147087421 /nfs/dbraw/zinc/08/74/21/147087421.db2.gz XYZKNTRIEOJHTH-UHFFFAOYSA-N 0 2 330.344 2.944 10 5 EFBELN O=C(CCc1ccc2c(c1)OCCO2)Nc1cc([N+](=O)[O-])ccc1O ZINC000356288881 147201191 /nfs/dbraw/zinc/20/11/91/147201191.db2.gz CKFBKLBHMXHCFP-UHFFFAOYSA-N 0 2 344.323 2.643 10 5 EFBELN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCO[C@H](C2CCCCC2)C1 ZINC000363853980 149021653 /nfs/dbraw/zinc/02/16/53/149021653.db2.gz LKEJVYXUTQFCBG-INIZCTEOSA-N 0 2 334.372 2.722 10 5 EFBELN O=C(N=c1nc(-c2ccsc2)[nH]s1)c1csc([N+](=O)[O-])c1 ZINC000365168752 149335259 /nfs/dbraw/zinc/33/52/59/149335259.db2.gz OVVSFFPLBFMUBM-UHFFFAOYSA-N 0 2 338.395 2.911 10 5 EFBELN Cc1nc([C@@H]2CCCCCN2C(=O)c2ccc([N+](=O)[O-])cc2O)no1 ZINC000368411221 150112909 /nfs/dbraw/zinc/11/29/09/150112909.db2.gz GTBJAUZHIRMUPL-ZDUSSCGKSA-N 0 2 346.343 2.749 10 5 EFBELN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCC(C2CCOCC2)CC1 ZINC000376122302 151659400 /nfs/dbraw/zinc/65/94/00/151659400.db2.gz HDRIBNNZFUOGMC-UHFFFAOYSA-N 0 2 334.372 2.579 10 5 EFBELN Cc1nc([C@H]2CCCCCN2C(=O)c2cc([N+](=O)[O-])ccc2O)no1 ZINC000378607789 152126373 /nfs/dbraw/zinc/12/63/73/152126373.db2.gz LQHYESRMVRVERE-CYBMUJFWSA-N 0 2 346.343 2.749 10 5 EFBELN C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCN2C(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000367537217 296742542 /nfs/dbraw/zinc/74/25/42/296742542.db2.gz DFKJYSZXKRESJM-MDRZDLKXSA-N 0 2 348.399 2.702 10 5 EFBELN CCc1noc(C)c1NS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000191798589 265276992 /nfs/dbraw/zinc/27/69/92/265276992.db2.gz KEDWPSXSUROSNG-UHFFFAOYSA-N 0 2 339.373 2.871 10 5 EFBELN Cc1csc(C2(NC(=O)c3cc([N+](=O)[O-])ccc3O)CCC2)n1 ZINC000272382508 266248943 /nfs/dbraw/zinc/24/89/43/266248943.db2.gz JKZQBPFRCNVCGK-UHFFFAOYSA-N 0 2 333.369 2.875 10 5 EFBELN Cc1nc(C2(NC(=O)c3cccc(O)c3[N+](=O)[O-])CCCCC2)no1 ZINC000280753592 273363161 /nfs/dbraw/zinc/36/31/61/273363161.db2.gz AFRHXIKPNCQQEV-UHFFFAOYSA-N 0 2 346.343 2.581 10 5 EFBELN O=C(NC1(c2nccs2)CCCC1)c1cccc(O)c1[N+](=O)[O-] ZINC000281052469 273395642 /nfs/dbraw/zinc/39/56/42/273395642.db2.gz XPWCLLCUWPUSMC-UHFFFAOYSA-N 0 2 333.369 2.956 10 5 EFBELN O=C(Nc1ncc(Cc2ccc(Cl)cc2)s1)[C@H]1C[C@H]1[N+](=O)[O-] ZINC000032932227 280064793 /nfs/dbraw/zinc/06/47/93/280064793.db2.gz GRXVWYZOACITLB-NWDGAFQWSA-N 0 2 337.788 2.991 10 5 EFBELN CCCc1cc(NS(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])[nH]n1 ZINC000126498955 293041473 /nfs/dbraw/zinc/04/14/73/293041473.db2.gz PICVJONZYKDITP-UHFFFAOYSA-N 0 2 338.389 2.688 10 5 EFBELN C[C@H]1CO[C@H](c2ccccc2)CN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000184958949 300368538 /nfs/dbraw/zinc/36/85/38/300368538.db2.gz VQZSDCUYYJHUDW-SJCJKPOMSA-N 0 2 342.351 2.903 10 5 EFBELN Cc1cc(=NC(=O)c2cc(O)ccc2[N+](=O)[O-])[nH]n1C1CCCCC1 ZINC000359485736 301057556 /nfs/dbraw/zinc/05/75/56/301057556.db2.gz TUOLDYNNFYPSEC-UHFFFAOYSA-N 0 2 344.371 2.985 10 5 EFBELN CN(C[C@@H]1OCCc2ccccc21)C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000297098697 310852109 /nfs/dbraw/zinc/85/21/09/310852109.db2.gz RLRDQZHYVVPFJA-INIZCTEOSA-N 0 2 342.351 2.686 10 5 EFBELN COc1ccccc1[C@@]1(C)C[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000436969150 312604074 /nfs/dbraw/zinc/60/40/74/312604074.db2.gz XMAFIICPEQWRNU-FUHWJXTLSA-N 0 2 342.351 2.769 10 5 EFBELN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCc2ccc(F)c(F)c2C1 ZINC000436995573 312608190 /nfs/dbraw/zinc/60/81/90/312608190.db2.gz BENSSJBWKHFKDD-UHFFFAOYSA-N 0 2 334.278 2.777 10 5 EFBELN COC[C@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1ccc(F)cc1 ZINC000439084324 312632239 /nfs/dbraw/zinc/63/22/39/312632239.db2.gz GQBBDJKOIWFWSR-ZDUSSCGKSA-N 0 2 334.303 2.557 10 5 EFBELN O=c1[nH]nc([C@@H]2CCCCN2Cc2c(Cl)cccc2[N+](=O)[O-])[nH]1 ZINC000450984946 312791111 /nfs/dbraw/zinc/79/11/11/312791111.db2.gz HGEPYZZQINUJBH-LBPRGKRZSA-N 0 2 337.767 2.799 10 5 EFBELN Cc1ccc(S(=O)(=O)Nc2cccc(C3CC3)n2)cc1[N+](=O)[O-] ZINC000451040466 312803904 /nfs/dbraw/zinc/80/39/04/312803904.db2.gz KFONBEOKUYIXRV-UHFFFAOYSA-N 0 2 333.369 2.976 10 5 EFBELN O=C(c1cccc(O)c1[N+](=O)[O-])N1CCCc2ccccc2CC1 ZINC000456313335 313037947 /nfs/dbraw/zinc/03/79/47/313037947.db2.gz NHGUCYNJPKOSCU-UHFFFAOYSA-N 0 2 326.352 2.932 10 5 EFBELN CCCc1cc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)[nH]n1 ZINC000493048740 314223503 /nfs/dbraw/zinc/22/35/03/314223503.db2.gz HXBPMSQHSOAXCR-UHFFFAOYSA-N 0 2 338.389 2.688 10 5 EFBELN CN(CCCOc1ccc(F)cc1)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000505531348 315459194 /nfs/dbraw/zinc/45/91/94/315459194.db2.gz AXUCIFUPRFBSIG-UHFFFAOYSA-N 0 2 348.330 2.981 10 5 EFBELN O=C(Nc1nc(-c2ccc(Cl)cc2)n[nH]1)c1ccc([N+](=O)[O-])cn1 ZINC000532145138 317361599 /nfs/dbraw/zinc/36/15/99/317361599.db2.gz BGTGTZQHIDIOME-UHFFFAOYSA-N 0 2 344.718 2.681 10 5 EFBELN CCOC(=O)c1ccc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])cc1 ZINC000551990603 318233985 /nfs/dbraw/zinc/23/39/85/318233985.db2.gz FKUKWPZHXSYWOJ-UHFFFAOYSA-N 0 2 330.296 2.729 10 5 EFBELN Cc1ccc(OCCNC(=O)c2cc(O)ccc2[N+](=O)[O-])c(C)c1 ZINC000551991215 318234308 /nfs/dbraw/zinc/23/43/08/318234308.db2.gz ULWVCJGRTGPMML-UHFFFAOYSA-N 0 2 330.340 2.726 10 5 EFBELN CC1(C)CN(C(=O)c2cc(O)ccc2[N+](=O)[O-])[C@@H]1c1ccncc1 ZINC000566071440 319028844 /nfs/dbraw/zinc/02/88/44/319028844.db2.gz VJPJEVGXJXIZOG-OAHLLOKOSA-N 0 2 327.340 2.919 10 5 EFBELN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cnn(CCC(F)(F)F)c1 ZINC000183778979 323348288 /nfs/dbraw/zinc/34/82/88/323348288.db2.gz AFDNVAKAUZQSMQ-UHFFFAOYSA-N 0 2 344.249 2.702 10 5 EFBELN O=C(Nc1ncn(C2CCCCC2)n1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000184911501 473270322 /nfs/dbraw/zinc/27/03/22/473270322.db2.gz PDTSTWFDCVOUQL-UHFFFAOYSA-N 0 2 331.332 2.649 10 5 EFBELN Cc1cc(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)c(C)n1[C@H]1CCOC1 ZINC000599750692 479413939 /nfs/dbraw/zinc/41/39/39/479413939.db2.gz LAIVSNNCZVQQCH-ZDUSSCGKSA-N 0 2 345.355 2.932 10 5 EFBELN O=C(Nc1ccc(N2CCCC2)nc1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000010202667 471730573 /nfs/dbraw/zinc/73/05/73/471730573.db2.gz WAMCQSORDJSXDA-UHFFFAOYSA-N 0 2 328.328 2.548 10 5 EFBELN CCOc1ccccc1-c1csc(NC(=O)[C@H]2C[C@@H]2[N+](=O)[O-])n1 ZINC000055590751 472210275 /nfs/dbraw/zinc/21/02/75/472210275.db2.gz NHMMUZKIVGEEHB-JQWIXIFHSA-N 0 2 333.369 2.813 10 5 EFBELN O=[N+]([O-])c1c(Nc2ccn(Cc3ccncc3)n2)nc2ccccn21 ZINC000068904608 472263023 /nfs/dbraw/zinc/26/30/23/472263023.db2.gz GVILSTUNNPGKJK-UHFFFAOYSA-N 0 2 335.327 2.626 10 5 EFBELN Cc1ccc2c(c1C)OC[C@H]2NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000077444402 472528200 /nfs/dbraw/zinc/52/82/00/472528200.db2.gz YYJFXJFCPHIZTB-CYBMUJFWSA-N 0 2 328.324 2.781 10 5 EFBELN COc1ccc(N(Cc2ccco2)C(=O)[C@@H]2C[C@@H]2[N+](=O)[O-])cc1F ZINC000072292257 472652309 /nfs/dbraw/zinc/65/23/09/472652309.db2.gz OTFWJSVKUJDFBK-OCCSQVGLSA-N 0 2 334.303 2.626 10 5 EFBELN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000105882213 472794080 /nfs/dbraw/zinc/79/40/80/472794080.db2.gz IBKPNDCMPACUPG-AWEZNQCLSA-N 0 2 344.371 2.628 10 5 EFBELN O=[N+]([O-])[C@H]1C[C@@H]1c1nc(-c2ccc(-n3cnc4ccccc43)nc2)no1 ZINC000075136581 473136869 /nfs/dbraw/zinc/13/68/69/473136869.db2.gz LHHLJCNZVGVKLK-FZMZJTMJSA-N 0 2 348.322 2.603 10 5 EFBELN CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1c(C)nn(C)c1C ZINC000075196242 473147854 /nfs/dbraw/zinc/14/78/54/473147854.db2.gz LMNVDTQTZOSARF-GFCCVEGCSA-N 0 2 332.360 2.532 10 5 EFBELN CCc1[nH+]ccn1[C@H]1CCC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000137050245 473192626 /nfs/dbraw/zinc/19/26/26/473192626.db2.gz XQQGMZHNAXQTKC-IRXDYDNUSA-N 0 2 344.415 2.724 10 5 EFBELN Cn1cc(CC(=O)Nc2ccc(O)c([N+](=O)[O-])c2)c2ccccc21 ZINC000166085753 473520687 /nfs/dbraw/zinc/52/06/87/473520687.db2.gz MJWNWYGZGPVFMB-UHFFFAOYSA-N 0 2 325.324 2.973 10 5 EFBELN O=C(CCCc1nc(C2CC2)no1)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000166086016 473521518 /nfs/dbraw/zinc/52/15/18/473521518.db2.gz WSHCNJYIIISDIE-UHFFFAOYSA-N 0 2 332.316 2.522 10 5 EFBELN CCc1c(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)cnn1CC(C)C ZINC000166115860 473521551 /nfs/dbraw/zinc/52/15/51/473521551.db2.gz BFBWJWCBRZTBAU-UHFFFAOYSA-N 0 2 332.360 2.968 10 5 EFBELN CC(C)(C)OCc1cc(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)no1 ZINC000186019111 473571746 /nfs/dbraw/zinc/57/17/46/473571746.db2.gz PZLSGWYKJFAEBC-UHFFFAOYSA-N 0 2 335.316 2.856 10 5 EFBELN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)c1cc2c([nH]c1=O)CCCCC2 ZINC000275144424 474084138 /nfs/dbraw/zinc/08/41/38/474084138.db2.gz QREIICAJFWFUAU-UHFFFAOYSA-N 0 2 343.339 2.922 10 5 EFBELN CCc1ccc([C@H]2COCCN2C(=O)c2cccc(O)c2[N+](=O)[O-])o1 ZINC000282909248 474238322 /nfs/dbraw/zinc/23/83/22/474238322.db2.gz BKJMUERKJWLAGW-CYBMUJFWSA-N 0 2 346.339 2.670 10 5 EFBELN CCCn1nccc1NS(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000189284147 474347337 /nfs/dbraw/zinc/34/73/37/474347337.db2.gz HOUCOJDPGDKMPA-UHFFFAOYSA-N 0 2 338.389 2.619 10 5 EFBELN O=C(Nc1cncc(Br)c1)c1ccc(O)c([N+](=O)[O-])c1 ZINC000183513600 474389458 /nfs/dbraw/zinc/38/94/58/474389458.db2.gz QQHDYVGKZKKZQZ-UHFFFAOYSA-N 0 2 338.117 2.710 10 5 EFBELN Cc1ccc(-c2cc(C(=O)Nc3ccc(O)c([N+](=O)[O-])c3)n[nH]2)o1 ZINC000183909564 474445676 /nfs/dbraw/zinc/44/56/76/474445676.db2.gz WLPJPACNSNLHGF-UHFFFAOYSA-N 0 2 328.284 2.844 10 5 EFBELN Cc1ccc(-c2cc(C(=O)Nc3ccc(O)c([N+](=O)[O-])c3)[nH]n2)o1 ZINC000183909564 474445680 /nfs/dbraw/zinc/44/56/80/474445680.db2.gz WLPJPACNSNLHGF-UHFFFAOYSA-N 0 2 328.284 2.844 10 5 EFBELN 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CCCc1cc(NS(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)[nH]n1 ZINC000351608409 146158147 /nfs/dbraw/zinc/15/81/47/146158147.db2.gz HFHRWCHREKMHIF-UHFFFAOYSA-N 0 2 338.389 2.688 10 5 EFBELN COc1cccc(C[C@@H](C)NC(=O)c2ccc([N+](=O)[O-])c(O)c2)c1 ZINC000352918553 146348635 /nfs/dbraw/zinc/34/86/35/146348635.db2.gz WONGJZPNZWYSGQ-LLVKDONJSA-N 0 2 330.340 2.670 10 5 EFBELN COc1cc2c(cc1F)CC[C@H]2NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000355853735 147082325 /nfs/dbraw/zinc/08/23/25/147082325.db2.gz NTSPWLWOZJBMIS-CQSZACIVSA-N 0 2 346.314 2.865 10 5 EFBELN C[C@@H]([C@@H]1Cc2ccccc2O1)N(C)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000364378461 149139434 /nfs/dbraw/zinc/13/94/34/149139434.db2.gz KSGHCTOIUQTZTH-GTNSWQLSSA-N 0 2 342.351 2.765 10 5 EFBELN O=C(c1ccc([N+](=O)[O-])cc1O)N1CC[C@@H](Oc2ccccc2)C1 ZINC000364395229 149141104 /nfs/dbraw/zinc/14/11/04/149141104.db2.gz SMJJQKSLJSTIBR-CQSZACIVSA-N 0 2 328.324 2.594 10 5 EFBELN O=C(NC[C@H]1CC[C@@H](c2ccccc2)O1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000368623292 150166282 /nfs/dbraw/zinc/16/62/82/150166282.db2.gz JVBYTVKDTUBDEV-PBHICJAKSA-N 0 2 342.351 2.951 10 5 EFBELN C[C@H](CC(=O)Nc1ccc(O)c([N+](=O)[O-])c1)NC(=O)C1CCCCC1 ZINC000166187638 533683424 /nfs/dbraw/zinc/68/34/24/533683424.db2.gz VGPDJQRGEBWMJH-LLVKDONJSA-N 0 2 349.387 2.714 10 5 EFBELN COc1c(C)c[nH+]c(CN(C)C(=O)c2cccc([O-])c2[N+](=O)[O-])c1C ZINC000280839003 273372467 /nfs/dbraw/zinc/37/24/67/273372467.db2.gz USNUORDDESRLGE-UHFFFAOYSA-N 0 2 345.355 2.593 10 5 EFBELN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)c1ccnc(OCC(F)F)c1 ZINC000155997269 293494933 /nfs/dbraw/zinc/49/49/33/293494933.db2.gz SQHKIRUDSDHPEI-UHFFFAOYSA-N 0 2 339.254 2.592 10 5 EFBELN Cc1cc(S(=O)(=O)Nc2cccc(C3CC3)n2)ccc1[N+](=O)[O-] ZINC000295161694 295276680 /nfs/dbraw/zinc/27/66/80/295276680.db2.gz DPVKVPKQDHCHPS-UHFFFAOYSA-N 0 2 333.369 2.976 10 5 EFBELN COc1cc(S(=O)(=O)Nc2cccc(C3CC3)n2)ccc1[N+](=O)[O-] ZINC000295166195 295277271 /nfs/dbraw/zinc/27/72/71/295277271.db2.gz FNDDAIMOYYWFJT-UHFFFAOYSA-N 0 2 349.368 2.677 10 5 EFBELN CC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)c1c(C)nn(C)c1C ZINC000436982224 312606003 /nfs/dbraw/zinc/60/60/03/312606003.db2.gz SMWKPBHDGRNACQ-ZDUSSCGKSA-N 0 2 332.360 2.532 10 5 EFBELN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)c1cncc(C(F)(F)F)c1 ZINC000521514216 316027942 /nfs/dbraw/zinc/02/79/42/316027942.db2.gz ODJQNIXCWJBFFJ-UHFFFAOYSA-N 0 2 327.218 2.967 10 5 EFBELN O=C(Nc1ccc2oc(CO)cc2c1)c1cc(O)ccc1[N+](=O)[O-] ZINC000552772962 318263113 /nfs/dbraw/zinc/26/31/13/318263113.db2.gz PSOMHSCIOZWRQZ-UHFFFAOYSA-N 0 2 328.280 2.791 10 5 EFBELN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)c1cc(=O)[nH]c2ccccc21 ZINC000183908282 323350262 /nfs/dbraw/zinc/35/02/62/323350262.db2.gz HBKMAHHKCZOMJI-UHFFFAOYSA-N 0 2 325.280 2.807 10 5 EFBELN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(F)ccc1C ZINC000007708412 471632715 /nfs/dbraw/zinc/63/27/15/471632715.db2.gz HRBJMVXGPHWOPO-UHFFFAOYSA-N 0 2 340.332 2.852 10 5 EFBELN O=C(Nc1nnc(C23CC4CC(CC(C4)C2)C3)s1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000044280210 472295331 /nfs/dbraw/zinc/29/53/31/472295331.db2.gz XCIUQRLURVOIAU-PRZIYQELSA-N 0 2 348.428 2.610 10 5 EFBELN O=[N+]([O-])c1ccc(NS(=O)(=O)c2ccc(C(F)(F)F)nc2)cc1 ZINC000097082361 472436455 /nfs/dbraw/zinc/43/64/55/472436455.db2.gz OTUJOJDUOTULIP-UHFFFAOYSA-N 0 2 347.274 2.809 10 5 EFBELN O=C(Nc1ncc(Cc2ccc(Cl)cc2)s1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000032932225 472483311 /nfs/dbraw/zinc/48/33/11/472483311.db2.gz GRXVWYZOACITLB-VXGBXAGGSA-N 0 2 337.788 2.991 10 5 EFBELN Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000105882216 472794133 /nfs/dbraw/zinc/79/41/33/472794133.db2.gz IBKPNDCMPACUPG-CQSZACIVSA-N 0 2 344.371 2.628 10 5 EFBELN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCO[C@@H](c2cccs2)C1 ZINC000134349358 472897998 /nfs/dbraw/zinc/89/79/98/472897998.db2.gz KMRBMBVDVKLLMU-CYBMUJFWSA-N 0 2 334.353 2.576 10 5 EFBELN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCO[C@H](c2ccsc2)C1 ZINC000163376206 473439254 /nfs/dbraw/zinc/43/92/54/473439254.db2.gz IQTUNCMUXGOEKO-AWEZNQCLSA-N 0 2 334.353 2.576 10 5 EFBELN O=C(Nc1cncc(Br)c1)c1ccc([N+](=O)[O-])cc1O ZINC000185617170 473469052 /nfs/dbraw/zinc/46/90/52/473469052.db2.gz IJEUZQFUDDECFG-UHFFFAOYSA-N 0 2 338.117 2.710 10 5 EFBELN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)c1cc(OCC(F)F)ccn1 ZINC000166146690 473521674 /nfs/dbraw/zinc/52/16/74/473521674.db2.gz BXWDFDBYBHAKFG-UHFFFAOYSA-N 0 2 339.254 2.592 10 5 EFBELN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)c1cnc([C@H]2CCCO2)s1 ZINC000166180831 473522749 /nfs/dbraw/zinc/52/27/49/473522749.db2.gz WITRHKWEIMSPNB-LLVKDONJSA-N 0 2 335.341 2.861 10 5 EFBELN COc1ccc2c(ccn2CC(=O)Nc2ccc(O)c([N+](=O)[O-])c2)c1 ZINC000166191577 473523279 /nfs/dbraw/zinc/52/32/79/473523279.db2.gz GHYUFGQDIWVCBF-UHFFFAOYSA-N 0 2 341.323 2.902 10 5 EFBELN O=C(c1cccc(O)c1[N+](=O)[O-])N1CCC[C@H]1[C@H]1CCCCC1=O ZINC000281384511 473700145 /nfs/dbraw/zinc/70/01/45/473700145.db2.gz XLTJWHBMKOKANO-YPMHNXCESA-N 0 2 332.356 2.664 10 5 EFBELN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCO[C@H](c2ccsc2)C1 ZINC000182103617 474100913 /nfs/dbraw/zinc/10/09/13/474100913.db2.gz DXLZXVYHZLSVFP-AWEZNQCLSA-N 0 2 334.353 2.576 10 5 EFBELN O=C(C[C@@H]1OCCc2ccccc21)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000183907194 474444837 /nfs/dbraw/zinc/44/48/37/474444837.db2.gz ZBJLNBSTACKUJY-INIZCTEOSA-N 0 2 328.324 2.943 10 5 EFBELN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCc2[nH]c3ccccc3c2C1 ZINC000184618123 474565291 /nfs/dbraw/zinc/56/52/91/474565291.db2.gz BHKHHMBZCSLILL-UHFFFAOYSA-N 0 2 337.335 2.980 10 5 EFBELN O=C(NC1CCN(c2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1O ZINC000184689527 474586623 /nfs/dbraw/zinc/58/66/23/474586623.db2.gz OSKLHMHWZWFROK-UHFFFAOYSA-N 0 2 341.367 2.699 10 5 EFBELN C[C@@]1(CNC(=O)c2cccc(O)c2[N+](=O)[O-])OCCc2sccc21 ZINC000291983211 474786517 /nfs/dbraw/zinc/78/65/17/474786517.db2.gz VLEGOEDTPJGIMR-INIZCTEOSA-N 0 2 348.380 2.580 10 5 EFBELN Cc1ncc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)c(C2CC2)n1 ZINC000337277767 474852031 /nfs/dbraw/zinc/85/20/31/474852031.db2.gz HANDBECHZCYVMC-UHFFFAOYSA-N 0 2 348.384 2.680 10 5 EFBELN O=C(NCCc1c[nH]c2ccccc12)c1cc(O)ccc1[N+](=O)[O-] ZINC000326860835 475012056 /nfs/dbraw/zinc/01/20/56/475012056.db2.gz VVHDGOOEKNZWSJ-UHFFFAOYSA-N 0 2 325.324 2.754 10 5 EFBELN O=C(Nc1ccc2c(c1)OC(F)(F)O2)c1cccc(O)c1[N+](=O)[O-] ZINC000339235557 475066222 /nfs/dbraw/zinc/06/62/22/475066222.db2.gz ZNHGPBOTDGKZND-UHFFFAOYSA-N 0 2 338.222 2.874 10 5 EFBELN C[C@H](C[C@@H](O)c1cccs1)NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000281151015 475092378 /nfs/dbraw/zinc/09/23/78/475092378.db2.gz HMIRHCOBPOMJPX-BXKDBHETSA-N 0 2 336.369 2.604 10 5 EFBELN O=C(NCCc1cccc2[nH]ccc21)c1ccc([N+](=O)[O-])c(O)c1 ZINC000337644479 475208488 /nfs/dbraw/zinc/20/84/88/475208488.db2.gz GQHXRXOFAQVKGR-UHFFFAOYSA-N 0 2 325.324 2.754 10 5 EFBELN CN(CCOc1ccc(F)cc1)C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000358002955 475326040 /nfs/dbraw/zinc/32/60/40/475326040.db2.gz HYSXXKIBOSKLBT-UHFFFAOYSA-N 0 2 334.303 2.591 10 5 EFBELN CC(C)[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])s1)C(F)(F)F ZINC000345728964 475401282 /nfs/dbraw/zinc/40/12/82/475401282.db2.gz WNWVRHIKKLEWDA-QMMMGPOBSA-N 0 2 332.325 2.522 10 5 EFBELN O=C(NCCCNc1ccccc1F)c1ccc([N+](=O)[O-])c(O)c1 ZINC000345743546 475413150 /nfs/dbraw/zinc/41/31/50/475413150.db2.gz XDNTZYNAVHICMQ-UHFFFAOYSA-N 0 2 333.319 2.672 10 5 EFBELN Cc1csc(CCCCNC(=O)c2cc(O)ccc2[N+](=O)[O-])n1 ZINC000352645365 475486638 /nfs/dbraw/zinc/48/66/38/475486638.db2.gz SKOMVBYEUWQKHQ-UHFFFAOYSA-N 0 2 335.385 2.818 10 5 EFBELN COc1cc(OC)cc(N(C)C(=O)c2cc(O)ccc2[N+](=O)[O-])c1 ZINC000355034743 475612407 /nfs/dbraw/zinc/61/24/07/475612407.db2.gz SIHVMINVCHDMGF-UHFFFAOYSA-N 0 2 332.312 2.594 10 5 EFBELN C[C@@H](CNC(=O)c1cccc(O)c1[N+](=O)[O-])N(C)c1ccccc1 ZINC000343033709 475710226 /nfs/dbraw/zinc/71/02/26/475710226.db2.gz PQJYKBCBQDMFLH-LBPRGKRZSA-N 0 2 329.356 2.555 10 5 EFBELN C[C@H](CNC(=O)c1cccc(O)c1[N+](=O)[O-])N(C)c1ccccc1 ZINC000343033708 475711320 /nfs/dbraw/zinc/71/13/20/475711320.db2.gz PQJYKBCBQDMFLH-GFCCVEGCSA-N 0 2 329.356 2.555 10 5 EFBELN Cc1ccc(-c2nnco2)cc1NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000343071802 475742912 /nfs/dbraw/zinc/74/29/12/475742912.db2.gz NQMFZWUHIYLOIW-UHFFFAOYSA-N 0 2 340.295 2.911 10 5 EFBELN O=C(NCC1(c2ccc(F)cc2)CC1)c1cccc(O)c1[N+](=O)[O-] ZINC000343071837 475743281 /nfs/dbraw/zinc/74/32/81/475743281.db2.gz OCYKMDQURDAYFY-UHFFFAOYSA-N 0 2 330.315 2.901 10 5 EFBELN COC(=O)c1ccc(CCC(=O)Nc2ccc(O)c([N+](=O)[O-])c2)cc1 ZINC000346670744 475750638 /nfs/dbraw/zinc/75/06/38/475750638.db2.gz UTQLAQJCQYYYLA-UHFFFAOYSA-N 0 2 344.323 2.658 10 5 EFBELN C[C@@H](NC(=O)c1cc(O)ccc1[N+](=O)[O-])c1nc2ccccc2[nH]1 ZINC000348664384 475806419 /nfs/dbraw/zinc/80/64/19/475806419.db2.gz SASTUNQMCIYWSG-SECBINFHSA-N 0 2 326.312 2.668 10 5 EFBELN CCNC(=O)Nc1cccc(NC(=O)c2cccc(O)c2[N+](=O)[O-])c1 ZINC000343268907 475908140 /nfs/dbraw/zinc/90/81/40/475908140.db2.gz HMKVKINDVLJLQV-UHFFFAOYSA-N 0 2 344.327 2.694 10 5 EFBELN COc1cccc(CO[C@@H](C)C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)c1 ZINC000346887992 475939209 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342.351 2.903 10 5 EFBELN C[C@@H]1CN(C(=O)c2cccc(O)c2[N+](=O)[O-])[C@H](c2ccccc2)CO1 ZINC000280755367 273363378 /nfs/dbraw/zinc/36/33/78/273363378.db2.gz AJINJSQDWWSKQZ-DOMZBBRYSA-N 0 2 342.351 2.903 10 5 EFBELN CCc1ccc([C@@H](COC)NC(=O)c2cccc(O)c2[N+](=O)[O-])o1 ZINC000281047769 273395107 /nfs/dbraw/zinc/39/51/07/273395107.db2.gz XDUGHQBEERIJHA-GFCCVEGCSA-N 0 2 334.328 2.573 10 5 EFBELN C[C@@H](O)C[C@H](CNC(=O)c1cccc(O)c1[N+](=O)[O-])c1ccccc1 ZINC000281124162 273403122 /nfs/dbraw/zinc/40/31/22/273403122.db2.gz XVQYUVPTCJRBJO-TZMCWYRMSA-N 0 2 344.367 2.585 10 5 EFBELN CCc1ccc([C@@H]2COCCN2C(=O)c2cccc(O)c2[N+](=O)[O-])o1 ZINC000282909254 273638294 /nfs/dbraw/zinc/63/82/94/273638294.db2.gz BKJMUERKJWLAGW-ZDUSSCGKSA-N 0 2 346.339 2.670 10 5 EFBELN CC1(C)CN(C(=O)c2cc([N+](=O)[O-])ccc2O)CC2(CCCC2)O1 ZINC000189959837 281219833 /nfs/dbraw/zinc/21/98/33/281219833.db2.gz HLXJPQIUMJAFEV-UHFFFAOYSA-N 0 2 334.372 2.864 10 5 EFBELN C[C@H]1CN(C(=O)c2cc(O)ccc2[N+](=O)[O-])Cc2ccccc2O1 ZINC000355896704 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EFBELN C[C@H](NC(=O)CC1CCCCC1)C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000155955614 472645918 /nfs/dbraw/zinc/64/59/18/472645918.db2.gz CQINKMUGOVFDCM-NSHDSACASA-N 0 2 349.387 2.714 10 5 EFBELN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1nc(C(C)C)cs1 ZINC000079252355 472837191 /nfs/dbraw/zinc/83/71/91/472837191.db2.gz WOYXGBCVKLJQGT-UHFFFAOYSA-N 0 2 341.414 2.706 10 5 EFBELN O=C(NCc1cn2cc(Cl)ccc2n1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000121854568 472930600 /nfs/dbraw/zinc/93/06/00/472930600.db2.gz ICIAMQHFDUSVCB-UHFFFAOYSA-N 0 2 346.730 2.532 10 5 EFBELN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)C1CCN(CC(F)(F)F)CC1 ZINC000166085626 473521028 /nfs/dbraw/zinc/52/10/28/473521028.db2.gz VPAXKFHYEGDFFF-UHFFFAOYSA-N 0 2 347.293 2.513 10 5 EFBELN CC(=O)N[C@H](CC(=O)Nc1ccc(O)c([N+](=O)[O-])c1)c1ccccc1 ZINC000166182272 473523140 /nfs/dbraw/zinc/52/31/40/473523140.db2.gz MGVHUHZWTHAWKI-CQSZACIVSA-N 0 2 343.339 2.506 10 5 EFBELN O=C(CCc1nc2ccccc2[nH]1)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000186021927 473572687 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O=C(Nc1ccccc1N1CCCC1=O)c1cccc(O)c1[N+](=O)[O-] ZINC000357994484 475318514 /nfs/dbraw/zinc/31/85/14/475318514.db2.gz NJGSUACZUFBQTD-UHFFFAOYSA-N 0 2 341.323 2.680 10 5 EFBELN COCCCOc1cccc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])c1 ZINC000354679502 475334294 /nfs/dbraw/zinc/33/42/94/475334294.db2.gz VUCCQHZERNHSCW-UHFFFAOYSA-N 0 2 346.339 2.968 10 5 EFBELN O=C(N[C@@H]1CCO[C@H](c2ccccc2)C1)c1cc(O)ccc1[N+](=O)[O-] ZINC000354694423 475342498 /nfs/dbraw/zinc/34/24/98/475342498.db2.gz KHVNVNDRQAYGBM-DYVFJYSZSA-N 0 2 342.351 2.951 10 5 EFBELN O=C(Nc1ccc(NC(=O)C2CC2)cc1)c1cccc(O)c1[N+](=O)[O-] ZINC000358038946 475355926 /nfs/dbraw/zinc/35/59/26/475355926.db2.gz PRRXYTJQGZBNBF-UHFFFAOYSA-N 0 2 341.323 2.901 10 5 EFBELN CN(Cc1cc(F)c(F)c(F)c1)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000354726783 475363620 /nfs/dbraw/zinc/36/36/20/475363620.db2.gz FAVIRRGADZYGRG-UHFFFAOYSA-N 0 2 340.257 2.990 10 5 EFBELN Cc1ccc(-c2[nH][nH]c(=NC(=O)c3cc(O)ccc3[N+](=O)[O-])c2C)o1 ZINC000355014762 475599143 /nfs/dbraw/zinc/59/91/43/475599143.db2.gz KSYBVXIBSPBELC-UHFFFAOYSA-N 0 2 342.311 2.575 10 5 EFBELN COc1ccc2c(c1)OC[C@@H]2CC(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000361658123 475637230 /nfs/dbraw/zinc/63/72/30/475637230.db2.gz XHJUUKSHWTXMGE-JTQLQIEISA-N 0 2 344.323 2.814 10 5 EFBELN Cc1nn(CC(F)F)c(C)c1C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000361658294 475637278 /nfs/dbraw/zinc/63/72/78/475637278.db2.gz FGHOKZCEJOBUCA-UHFFFAOYSA-N 0 2 340.286 2.631 10 5 EFBELN COc1ccc(O[C@H](C)C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)cc1 ZINC000361663375 475642665 /nfs/dbraw/zinc/64/26/65/475642665.db2.gz UDWYKAGRMIOYSW-SNVBAGLBSA-N 0 2 332.312 2.715 10 5 EFBELN COc1ccccc1[C@@]1(C)C[C@H]1NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000353239397 475795611 /nfs/dbraw/zinc/79/56/11/475795611.db2.gz WGJPKNLKUYCPHW-SJLPKXTDSA-N 0 2 342.351 2.769 10 5 EFBELN COc1ccccc1O[C@@H](C)CNC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000343144547 475807023 /nfs/dbraw/zinc/80/70/23/475807023.db2.gz AIRGTZGGXXZAPD-NSHDSACASA-N 0 2 346.339 2.506 10 5 EFBELN O=C(Nc1cc2c(cc1F)NC(=O)CC2)c1cc(O)ccc1[N+](=O)[O-] ZINC000346883812 475936144 /nfs/dbraw/zinc/93/61/44/475936144.db2.gz XAMPQFHPOZEORR-UHFFFAOYSA-N 0 2 345.286 2.577 10 5 EFBELN C[C@](NS(=O)(=O)c1ccc([N+](=O)[O-])s1)(C1CC1)C(F)(F)F ZINC000358831268 475973757 /nfs/dbraw/zinc/97/37/57/475973757.db2.gz RSAQDHAGQYCVGJ-VIFPVBQESA-N 0 2 344.336 2.666 10 5 EFBELN C[C@H](COCc1ccccc1)NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000353510734 476031972 /nfs/dbraw/zinc/03/19/72/476031972.db2.gz SGZBSZXQQRZGQQ-GFCCVEGCSA-N 0 2 330.340 2.636 10 5 EFBELN COc1cc(F)c(NC(=O)c2cccc(O)c2[N+](=O)[O-])cc1OC ZINC000355559979 476032420 /nfs/dbraw/zinc/03/24/20/476032420.db2.gz VHHIBBVWFCZETA-UHFFFAOYSA-N 0 2 336.275 2.709 10 5 EFBELN CN(C)c1cccc(CCC(=O)Nc2ccc(O)c([N+](=O)[O-])c2)c1 ZINC000338798889 476194801 /nfs/dbraw/zinc/19/48/01/476194801.db2.gz DDZLGJPNJAIZOB-UHFFFAOYSA-N 0 2 329.356 2.938 10 5 EFBELN CC(=O)Nc1cccc([C@H](C)NC(=O)c2cccc(O)c2[N+](=O)[O-])c1 ZINC000359343536 476225133 /nfs/dbraw/zinc/22/51/33/476225133.db2.gz PFBHKFUYXWAUSM-JTQLQIEISA-N 0 2 343.339 2.750 10 5 EFBELN C[C@H](NC(=O)c1cc(O)ccc1[N+](=O)[O-])[C@@H]1Oc2ccccc2[C@H]1C ZINC000354008596 476360187 /nfs/dbraw/zinc/36/01/87/476360187.db2.gz JJQHKVUCOWVGKX-VGTOOOLASA-N 0 2 342.351 2.983 10 5 EFBELN C[C@H](CNC(=O)c1cc(O)ccc1[N+](=O)[O-])Oc1cccc(F)c1 ZINC000354196720 476494456 /nfs/dbraw/zinc/49/44/56/476494456.db2.gz XHYLYDLZYFITEY-SNVBAGLBSA-N 0 2 334.303 2.637 10 5 EFBELN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCn2c(cc3ccccc32)C1 ZINC000361040404 476559256 /nfs/dbraw/zinc/55/92/56/476559256.db2.gz NDPWWJFIKNNLGF-UHFFFAOYSA-N 0 2 337.335 2.911 10 5 EFBELN C[C@H](NC(=O)c1cc(O)ccc1[N+](=O)[O-])c1ccc([S@](C)=O)cc1 ZINC000354323411 476586680 /nfs/dbraw/zinc/58/66/80/476586680.db2.gz CJVWZYNRKFKREK-JUZXBQNTSA-N 0 2 348.380 2.529 10 5 EFBELN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCO[C@H](c2cccc(F)c2)C1 ZINC000375747949 476984966 /nfs/dbraw/zinc/98/49/66/476984966.db2.gz FQOPZBJGFIHVEK-INIZCTEOSA-N 0 2 346.314 2.653 10 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O=C(N[C@H](c1ccccc1)[C@@H]1CCOC1)c1ccc([N+](=O)[O-])cc1O ZINC000372235476 477707092 /nfs/dbraw/zinc/70/70/92/477707092.db2.gz IHGWLRQJIYVTNS-CXAGYDPISA-N 0 2 342.351 2.808 10 5 EFBELN CC1(c2nc(=NC(=O)c3cc4cccc([N+](=O)[O-])c4[nH]3)s[nH]2)CC1 ZINC000600227079 478297199 /nfs/dbraw/zinc/29/71/99/478297199.db2.gz IOZGZXCPPAOPJL-UHFFFAOYSA-N 0 2 343.368 2.653 10 5 EFBELN C[C@H](C(=O)N=c1nc(C2(C)CC2)[nH]s1)c1cccc([N+](=O)[O-])c1 ZINC000600228248 478298961 /nfs/dbraw/zinc/29/89/61/478298961.db2.gz TYELTFOGUCWIAV-VIFPVBQESA-N 0 2 332.385 2.662 10 5 EFBELN O=C(N[C@@H](c1ccccn1)C1CCC1)c1cc([N+](=O)[O-])ccc1O ZINC000600303200 478328545 /nfs/dbraw/zinc/32/85/45/478328545.db2.gz VXMJIONDSDFWQM-MRXNPFEDSA-N 0 2 327.340 2.967 10 5 EFBELN O=C(N[C@H](c1ccccn1)C1CCC1)c1cc([N+](=O)[O-])ccc1O ZINC000600303199 478328599 /nfs/dbraw/zinc/32/85/99/478328599.db2.gz VXMJIONDSDFWQM-INIZCTEOSA-N 0 2 327.340 2.967 10 5 EFBELN O=C(N[C@@H](c1ccccn1)C1CCC1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000600299954 478328773 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345.311 2.516 10 5 EFBELN O=C(c1cccc(O)c1[N+](=O)[O-])N1CCC(C2CCOCC2)CC1 ZINC000581945384 478473690 /nfs/dbraw/zinc/47/36/90/478473690.db2.gz CKMQSIPMWZOGOA-UHFFFAOYSA-N 0 2 334.372 2.579 10 5 EFBELN COc1ccc([C@@H](NC(=O)c2cccc(O)c2[N+](=O)[O-])C2CC2)cn1 ZINC000600813898 478530871 /nfs/dbraw/zinc/53/08/71/478530871.db2.gz QSRBSUSFUJOMNA-HNNXBMFYSA-N 0 2 343.339 2.585 10 5 EFBELN O=C(c1cccc(O)c1[N+](=O)[O-])N1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000598308753 478759102 /nfs/dbraw/zinc/75/91/02/478759102.db2.gz NXBSVSNMFHISSO-SWLSCSKDSA-N 0 2 334.372 2.722 10 5 EFBELN O=C(NC1CCC2(CC2(F)F)CC1)c1cc([N+](=O)[O-])ccc1O ZINC000598318020 478764158 /nfs/dbraw/zinc/76/41/58/478764158.db2.gz RKTSIEQIMMBDLC-UHFFFAOYSA-N 0 2 326.299 2.998 10 5 EFBELN CO[C@H](C)c1nsc(NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)n1 ZINC000572516900 478858248 /nfs/dbraw/zinc/85/82/48/478858248.db2.gz RESHDDYEMPHXEJ-SECBINFHSA-N 0 2 347.400 2.712 10 5 EFBELN COc1ccc(OC)c([C@H](C)NC(=O)c2cc(O)ccc2[N+](=O)[O-])c1 ZINC000505242534 478861098 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Cc1ccc(O[C@H](C)CNC(=O)c2cc(O)ccc2[N+](=O)[O-])cc1 ZINC000354197109 476494264 /nfs/dbraw/zinc/49/42/64/476494264.db2.gz YTYLGRPIHASDRJ-GFCCVEGCSA-N 0 2 330.340 2.806 10 5 EFBELN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCO[C@@H](c2ccccc2)C1 ZINC000377663646 476507168 /nfs/dbraw/zinc/50/71/68/476507168.db2.gz AABYEXDSWONGJA-MRXNPFEDSA-N 0 2 328.324 2.514 10 5 EFBELN O=C(Cc1cccc([N+](=O)[O-])c1)N=c1nc(-c2ccsc2)[nH]s1 ZINC000377851603 476612834 /nfs/dbraw/zinc/61/28/34/476612834.db2.gz VCDRRHOFJZUHCC-UHFFFAOYSA-N 0 2 346.393 2.778 10 5 EFBELN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCc2ccc(F)c(F)c2C1 ZINC000354406855 476641977 /nfs/dbraw/zinc/64/19/77/476641977.db2.gz WKJIPUBCAMFTMQ-UHFFFAOYSA-N 0 2 334.278 2.777 10 5 EFBELN O=C(c1cccc(O)c1[N+](=O)[O-])N1CCO[C@@H](c2ccccc2F)C1 ZINC000370202777 476696195 /nfs/dbraw/zinc/69/61/95/476696195.db2.gz XNYMCYOGOMOLKP-OAHLLOKOSA-N 0 2 346.314 2.653 10 5 EFBELN CN(CCc1ccc(Cl)cc1)C(=O)c1cc([N+](=O)[O-])c(O)cc1N ZINC000408514486 476957092 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O=C(NC[C@H]1CC[C@H](c2ccccc2)O1)c1ccc([N+](=O)[O-])cc1O ZINC000436934014 477641240 /nfs/dbraw/zinc/64/12/40/477641240.db2.gz RJCAHHOQMZBEGB-RHSMWYFYSA-N 0 2 342.351 2.951 10 5 EFBELN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCO[C@H](c2ccsc2)C1 ZINC000367696734 477642596 /nfs/dbraw/zinc/64/25/96/477642596.db2.gz JFGWJAPLSPKSAF-AWEZNQCLSA-N 0 2 334.353 2.576 10 5 EFBELN COc1ccccc1[C@@]1(C)C[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000436969153 477653028 /nfs/dbraw/zinc/65/30/28/477653028.db2.gz XMAFIICPEQWRNU-SJLPKXTDSA-N 0 2 342.351 2.769 10 5 EFBELN Cc1nc([C@H]2CCCCCN2C(=O)c2ccc([N+](=O)[O-])cc2O)no1 ZINC000368411220 477804198 /nfs/dbraw/zinc/80/41/98/477804198.db2.gz GTBJAUZHIRMUPL-CYBMUJFWSA-N 0 2 346.343 2.749 10 5 EFBELN C[C@H]1CCN(c2cc(C(=O)Nc3ccc(O)c([N+](=O)[O-])c3)ccn2)C1 ZINC000439049951 477922550 /nfs/dbraw/zinc/92/25/50/477922550.db2.gz AQYDLWUFGDTPLX-NSHDSACASA-N 0 2 342.355 2.794 10 5 EFBELN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCC=C(c2cccnc2)C1 ZINC000560543144 478107142 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O=C(c1cc([N+](=O)[O-])ccc1O)N1CCC(c2cccnc2)CC1 ZINC000611535869 479408338 /nfs/dbraw/zinc/40/83/38/479408338.db2.gz YSCJVBQOKNBOBJ-UHFFFAOYSA-N 0 2 327.340 2.715 10 5 EFBELN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCC[C@@H](c2ccccn2)C1 ZINC000590402070 479640868 /nfs/dbraw/zinc/64/08/68/479640868.db2.gz SFCBHHDTXGQQCH-GFCCVEGCSA-N 0 2 327.340 2.715 10 5 EFBELN COC(=O)c1cccc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)c1C ZINC000612522739 479685257 /nfs/dbraw/zinc/68/52/57/479685257.db2.gz ZIZCCHXBAVOPKU-UHFFFAOYSA-N 0 2 330.296 2.648 10 5 EFBELN O=C(NCCc1ccc(Cl)s1)c1cc(O)ccc1[N+](=O)[O-] ZINC000227879679 526406499 /nfs/dbraw/zinc/40/64/99/526406499.db2.gz AEQRFKOPHJYEMK-UHFFFAOYSA-N 0 2 326.761 2.988 10 5 EFBELN CCCN(CCc1ccccn1)C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000181941733 528110000 /nfs/dbraw/zinc/11/00/00/528110000.db2.gz QYXWSCMCCSJHDS-UHFFFAOYSA-N 0 2 329.356 2.790 10 5 EFBELN COc1cc(NC(=O)c2cccc(O)c2[N+](=O)[O-])cc(OC)c1C ZINC000349347710 536852526 /nfs/dbraw/zinc/85/25/26/536852526.db2.gz NSLHRZJTGXWRPG-UHFFFAOYSA-N 0 2 332.312 2.878 10 5 EFBELN COc1cccc2c1[C@H](C(=O)Nc1ccc(O)c([N+](=O)[O-])c1)CC2 ZINC000346303724 536969256 /nfs/dbraw/zinc/96/92/56/536969256.db2.gz BQHLUUMJVKNSLY-GFCCVEGCSA-N 0 2 328.324 2.978 10 5 EFBELN C[C@@H](OC(=O)C(C)(C)NC(=O)C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000758086641 575859657 /nfs/dbraw/zinc/85/96/57/575859657.db2.gz ISJOVGNGYJUDKP-MRVPVSSYSA-N 0 2 348.277 2.656 10 5 EFBELN CCn1nccc1S(=O)(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C ZINC000769873382 577390311 /nfs/dbraw/zinc/39/03/11/577390311.db2.gz SASQCUMNGHTGCG-UHFFFAOYSA-N 0 2 344.780 2.574 10 5 EFBELN C[C@@H](C[C@H](O)c1ccc(F)cc1)NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000788309060 1276122548 /nfs/dbraw/zinc/12/25/48/1276122548.db2.gz RJVIQNPQOTXLBW-QFYYESIMSA-N 0 2 348.330 2.682 10 5 EFBELN CC(C)(NS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])C(F)F ZINC000815044072 1287266685 /nfs/dbraw/zinc/26/66/85/1287266685.db2.gz WQMMZZKIVFUKTB-UHFFFAOYSA-N 0 2 346.714 2.709 10 5 EFBELN CCC(=O)Nc1ccccc1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000813498408 1285967486 /nfs/dbraw/zinc/96/74/86/1285967486.db2.gz BJHKENHMWMYLAN-UHFFFAOYSA-N 0 2 329.312 2.901 10 5 EFBELN O=C(Nc1cccc(C2OCCO2)c1)c1cc(O)ccc1[N+](=O)[O-] ZINC000816364903 1288084949 /nfs/dbraw/zinc/08/49/49/1288084949.db2.gz RRPXDMRDALVMLQ-UHFFFAOYSA-N 0 2 330.296 2.598 10 5 EFBELN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)c1cccc(C2OCCO2)c1 ZINC000776203632 1297003344 /nfs/dbraw/zinc/00/33/44/1297003344.db2.gz DGNQLCDBTFZLOI-UHFFFAOYSA-N 0 2 330.296 2.598 10 5 EFBELN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)c1ccc2c(c1)OCCCO2 ZINC000776204423 1297029898 /nfs/dbraw/zinc/02/98/98/1297029898.db2.gz NDPAYTGSHGKALM-UHFFFAOYSA-N 0 2 330.296 2.714 10 5 EFBELN CO[C@@]1(C(=O)[O-])CC[N@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000901543151 1310640234 /nfs/dbraw/zinc/64/02/34/1310640234.db2.gz SQMYBJQUECXAID-ZDUSSCGKSA-N 0 2 349.170 2.577 10 5 EFBELN CO[C@@]1(C(=O)[O-])CC[N@@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000901543151 1310640241 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O=C(Nc1ncccc1C(=O)c1cccc(Cl)c1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001437298951 1387528996 /nfs/dbraw/zinc/52/89/96/1387528996.db2.gz ZWBZBZMTXBDAPC-CHWSQXEVSA-N 0 2 345.742 2.570 10 5 EFBELN Cc1ccc2nc(-c3cccc(NC(=O)[C@@H]4C[C@H]4[N+](=O)[O-])c3)[nH]c2n1 ZINC001438688235 1388740141 /nfs/dbraw/zinc/74/01/41/1388740141.db2.gz HOCRHKSFHMNDEK-TZMCWYRMSA-N 0 2 337.339 2.537 10 5 EFBELN Cc1[nH]nc(NC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)c1C ZINC001565568442 1415403297 /nfs/dbraw/zinc/40/32/97/1415403297.db2.gz VHOGRAZCSIVUTD-UHFFFAOYSA-N 0 2 326.316 2.577 10 5 EFBELN C[C@@](O)(CCNC(=O)c1c(F)cccc1[N+](=O)[O-])c1ccccc1 ZINC001567889436 1416310179 /nfs/dbraw/zinc/31/01/79/1416310179.db2.gz CAAVLHQHYWFLNT-QGZVFWFLSA-N 0 2 332.331 2.762 10 5 EFBELN O=C(NOCc1cccnc1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000866864165 715227986 /nfs/dbraw/zinc/22/79/86/715227986.db2.gz PVFCMGQAVTYCRQ-UHFFFAOYSA-N 0 2 327.340 2.660 10 5 EFBELN O=C(NCc1ccc(-c2cnco2)cc1)c1ccc([N+](=O)[O-])cc1O ZINC001570754577 1086500632 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EFBELN COC(=O)[C@@H](C)c1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)c1 ZINC001642609009 1101226119 /nfs/dbraw/zinc/22/61/19/1101226119.db2.gz BQCMRWIMTVHXJJ-JTQLQIEISA-N 0 2 344.323 2.829 10 5 EFBELN O=C(N[C@H]1CCCc2ccccc2C1)c1ccc([N+](=O)[O-])cc1O ZINC001653095143 1101585526 /nfs/dbraw/zinc/58/55/26/1101585526.db2.gz BSCOXQQZXTUSHO-AWEZNQCLSA-N 0 2 326.352 2.978 10 5 EFBELN COc1ccc(C2=N/C(=C/c3ccc([N+](=O)[O-])c(O)c3)C(=O)O2)cc1 ZINC000748156748 1102892612 /nfs/dbraw/zinc/89/26/12/1102892612.db2.gz HVJLNSSWSFFOEQ-MDWZMJQESA-N 0 2 340.291 2.654 10 5 EFBELN C[C@H]1CO[C@@H](c2ccccc2)CN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000067177896 215121912 /nfs/dbraw/zinc/12/19/12/215121912.db2.gz PNRWHNXOTRLUJG-YVEFUNNKSA-N 0 2 342.351 2.903 10 5 EFBELN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)[C@H]1CCCN1c1ccccc1 ZINC000369485295 304003599 /nfs/dbraw/zinc/00/35/99/304003599.db2.gz QBNSAIYAZBNLKY-CQSZACIVSA-N 0 2 327.340 2.908 10 5 EFBELN CO[C@](C)(C(=O)Nc1ccc(O)c([N+](=O)[O-])c1)c1ccccc1F ZINC000192207579 240032147 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O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)Nc2cccc(O)c2)c1 ZINC000007718862 210837368 /nfs/dbraw/zinc/83/73/68/210837368.db2.gz JPMJPUXYELVCTL-UHFFFAOYSA-N 0 2 328.733 2.755 10 5 EFBELN C[C@H](CCCc1cccnc1)NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000457897927 255720959 /nfs/dbraw/zinc/72/09/59/255720959.db2.gz ATYJOTBJIZPVDZ-GFCCVEGCSA-N 0 2 329.356 2.837 10 5 EFBELN CN(CCCOc1ccccc1)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000346146190 142154859 /nfs/dbraw/zinc/15/48/59/142154859.db2.gz DQUKTEDVDCLBBY-UHFFFAOYSA-N 0 2 330.340 2.842 10 5 EFBELN CC(C)(C)c1csc(CNC(=O)c2cc(O)ccc2[N+](=O)[O-])n1 ZINC000346303606 142186524 /nfs/dbraw/zinc/18/65/24/142186524.db2.gz LMWTXYZTMGBORL-UHFFFAOYSA-N 0 2 335.385 2.984 10 5 EFBELN COc1ccc2c(c1)CN(C(=O)c1cc(O)ccc1[N+](=O)[O-])CC2 ZINC000350101098 142398937 /nfs/dbraw/zinc/39/89/37/142398937.db2.gz WJSODGLBWAHGGQ-UHFFFAOYSA-N 0 2 328.324 2.508 10 5 EFBELN COc1cccc(C2(NC(=O)c3cccc(O)c3[N+](=O)[O-])CC2)c1 ZINC000341431285 145051038 /nfs/dbraw/zinc/05/10/38/145051038.db2.gz QSIUNBXKIZDDDM-UHFFFAOYSA-N 0 2 328.324 2.728 10 5 EFBELN CCC1(CC)[C@H](NC(=O)c2cccc(O)c2[N+](=O)[O-])[C@H](C)[C@@H]1OC ZINC000343853440 145308709 /nfs/dbraw/zinc/30/87/09/145308709.db2.gz ONSXTDNTJJCVMT-VQISRLSMSA-N 0 2 336.388 2.870 10 5 EFBELN Cc1nc(-c2ccc(NC(=O)c3cc(O)ccc3[N+](=O)[O-])cc2)n[nH]1 ZINC000344232623 145398363 /nfs/dbraw/zinc/39/83/63/145398363.db2.gz LCFNEHROOAUXMJ-UHFFFAOYSA-N 0 2 339.311 2.646 10 5 EFBELN CC(=O)Nc1ccc(C)c(NC(=O)c2cc(O)ccc2[N+](=O)[O-])c1 ZINC000349237356 146069066 /nfs/dbraw/zinc/06/90/66/146069066.db2.gz ZYCGICQKCIPWTK-UHFFFAOYSA-N 0 2 329.312 2.820 10 5 EFBELN O=C(NCCc1c[nH]c2cc(F)ccc12)c1cc(O)ccc1[N+](=O)[O-] ZINC000351965838 146250839 /nfs/dbraw/zinc/25/08/39/146250839.db2.gz WFVLYUHRAWIWBM-UHFFFAOYSA-N 0 2 343.314 2.893 10 5 EFBELN CN(C[C@@H]1OCCc2ccccc21)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000352158944 146304194 /nfs/dbraw/zinc/30/41/94/146304194.db2.gz PNRQMAZPXREMFV-KRWDZBQOSA-N 0 2 342.351 2.686 10 5 EFBELN CCOc1cc(CNC(=O)c2cc(O)ccc2[N+](=O)[O-])ccc1OC ZINC000353063330 146388825 /nfs/dbraw/zinc/38/88/25/146388825.db2.gz LTQHQNCBGZVKGE-UHFFFAOYSA-N 0 2 346.339 2.638 10 5 EFBELN COc1ccc([C@@H](C)NC(=O)c2cccc(O)c2[N+](=O)[O-])cc1F ZINC000356287020 147200149 /nfs/dbraw/zinc/20/01/49/147200149.db2.gz RJSZYHYAKFMLAS-SECBINFHSA-N 0 2 334.303 2.939 10 5 EFBELN COc1cccc(C2(CNC(=O)c3cc(O)ccc3[N+](=O)[O-])CC2)c1 ZINC000356874172 147360354 /nfs/dbraw/zinc/36/03/54/147360354.db2.gz BDWMUYWXSAOGEP-UHFFFAOYSA-N 0 2 342.351 2.771 10 5 EFBELN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCO[C@@H](C2CCCCC2)C1 ZINC000363853981 149021251 /nfs/dbraw/zinc/02/12/51/149021251.db2.gz LKEJVYXUTQFCBG-MRXNPFEDSA-N 0 2 334.372 2.722 10 5 EFBELN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCO[C@H](C2CCCCC2)C1 ZINC000364286554 149115493 /nfs/dbraw/zinc/11/54/93/149115493.db2.gz CAKQWUMNYOWWKW-INIZCTEOSA-N 0 2 334.372 2.722 10 5 EFBELN Cc1nc([C@@H]2CCCCCN2C(=O)c2cc([N+](=O)[O-])ccc2O)no1 ZINC000378607790 152125956 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CCO[C@H]1C[C@H](NC(=O)c2cccc(O)c2[N+](=O)[O-])C12CCCC2 ZINC000280720220 273359369 /nfs/dbraw/zinc/35/93/69/273359369.db2.gz HIOHDHHAWPCPNG-KBPBESRZSA-N 0 2 334.372 2.768 10 5 EFBELN C[C@H]1CN(C(=O)c2cccc(O)c2[N+](=O)[O-])[C@H](c2ccccc2)CO1 ZINC000280755373 273363358 /nfs/dbraw/zinc/36/33/58/273363358.db2.gz AJINJSQDWWSKQZ-WFASDCNBSA-N 0 2 342.351 2.903 10 5 EFBELN C[C@H]1CO[C@H](c2ccccc2)CN1C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000280880110 273377093 /nfs/dbraw/zinc/37/70/93/273377093.db2.gz FWQMHWMCTDMHHN-LRDDRELGSA-N 0 2 342.351 2.903 10 5 EFBELN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cn(C)nc1C(C)C ZINC000280967595 273386583 /nfs/dbraw/zinc/38/65/83/273386583.db2.gz LBNJNYHDHLINJC-UHFFFAOYSA-N 0 2 338.389 2.561 10 5 EFBELN O=C(c1cccc(O)c1[N+](=O)[O-])N1CCO[C@@H](c2cccs2)C1 ZINC000281304951 273421720 /nfs/dbraw/zinc/42/17/20/273421720.db2.gz RRFHSDLMJRLIJK-GFCCVEGCSA-N 0 2 334.353 2.576 10 5 EFBELN C[C@@]12CCN(C(=O)c3cccc(O)c3[N+](=O)[O-])C[C@@H]1C2(Cl)Cl ZINC000286121341 274137831 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COc1cccc([C@@H]2C[C@H]2CNC(=O)c2cc(O)ccc2[N+](=O)[O-])c1 ZINC000412887730 312030525 /nfs/dbraw/zinc/03/05/25/312030525.db2.gz ZEKOWJMFMTYOKB-WFASDCNBSA-N 0 2 342.351 2.843 10 5 EFBELN COc1ccccc1[C@]1(C)C[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000436969155 312603977 /nfs/dbraw/zinc/60/39/77/312603977.db2.gz XMAFIICPEQWRNU-WMZOPIPTSA-N 0 2 342.351 2.769 10 5 EFBELN CC(C)n1ncc2cc(NC(=O)c3cc(O)ccc3[N+](=O)[O-])cnc21 ZINC000551903963 318224060 /nfs/dbraw/zinc/22/40/60/318224060.db2.gz JAKMQIFZWVZJGN-UHFFFAOYSA-N 0 2 341.327 2.878 10 5 EFBELN O=C(NCc1cccc(N2CC=CC2)c1)c1cc(O)ccc1[N+](=O)[O-] ZINC000560518251 318562294 /nfs/dbraw/zinc/56/22/94/318562294.db2.gz BJFYVHNVVGXVJO-UHFFFAOYSA-N 0 2 339.351 2.607 10 5 EFBELN CC1(C)CN(C(=O)c2cc(O)ccc2[N+](=O)[O-])[C@H]1c1ccncc1 ZINC000566071430 319028874 /nfs/dbraw/zinc/02/88/74/319028874.db2.gz VJPJEVGXJXIZOG-HNNXBMFYSA-N 0 2 327.340 2.919 10 5 EFBELN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)c1ccn(-c2ccc(F)cc2)n1 ZINC000183900957 323350340 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EFBELN CCO[C@@H]1C[C@H](NC(=O)c2cccc(O)c2[N+](=O)[O-])C12CCCC2 ZINC000280720227 273359429 /nfs/dbraw/zinc/35/94/29/273359429.db2.gz HIOHDHHAWPCPNG-UONOGXRCSA-N 0 2 334.372 2.768 10 5 EFBELN CCN(CC)c1ccc(NC(=O)c2cccc(O)c2[N+](=O)[O-])cn1 ZINC000280820849 273370491 /nfs/dbraw/zinc/37/04/91/273370491.db2.gz ROZGDOHJTFQWRT-UHFFFAOYSA-N 0 2 330.344 2.794 10 5 EFBELN CC[C@H](NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(F)(F)F ZINC000345727240 288056212 /nfs/dbraw/zinc/05/62/12/288056212.db2.gz VACNFAGNWKUTAU-VIFPVBQESA-N 0 2 346.714 2.867 10 5 EFBELN CC1(C)CN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC2(CCCC2)O1 ZINC000367736179 281219813 /nfs/dbraw/zinc/21/98/13/281219813.db2.gz CTPFVVBQVHHCEL-UHFFFAOYSA-N 0 2 334.372 2.864 10 5 EFBELN O=C(c1cccc(O)c1[N+](=O)[O-])N1CCO[C@@H](c2ccccc2)C1 ZINC000375011968 304550126 /nfs/dbraw/zinc/55/01/26/304550126.db2.gz SDAPPDLYJRMMPV-OAHLLOKOSA-N 0 2 328.324 2.514 10 5 EFBELN O=C(NCc1ccn(C2CCCC2)n1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000134959995 310648762 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CCCc1cnc(NS(=O)(=O)c2ccc([N+](=O)[O-])s2)s1 ZINC000183194533 323321652 /nfs/dbraw/zinc/32/16/52/323321652.db2.gz SFFJZFRTGUDQHX-UHFFFAOYSA-N 0 2 333.416 2.866 10 5 EFBELN Cc1ccnc([C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])c(O)c3)C2)c1 ZINC000582556846 324621057 /nfs/dbraw/zinc/62/10/57/324621057.db2.gz QWKDIVSGWXXVEB-CYBMUJFWSA-N 0 2 327.340 2.634 10 5 EFBELN O=C(Nc1ccn(Cc2ccccc2)n1)c1cccc(O)c1[N+](=O)[O-] ZINC000537241874 468360175 /nfs/dbraw/zinc/36/01/75/468360175.db2.gz GIIBIGJXYAEBKY-UHFFFAOYSA-N 0 2 338.323 2.798 10 5 EFBELN C[C@@H](Cc1ccc(O)cc1)N(C)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000184899742 473268174 /nfs/dbraw/zinc/26/81/74/473268174.db2.gz OKKWRMKFDAJMJC-NSHDSACASA-N 0 2 330.340 2.709 10 5 EFBELN O=C(Nc1nc(-c2ccccc2Cl)n[nH]1)c1ccc([N+](=O)[O-])cn1 ZINC000531898160 468083644 /nfs/dbraw/zinc/08/36/44/468083644.db2.gz YHDDZJFKQKBETD-UHFFFAOYSA-N 0 2 344.718 2.681 10 5 EFBELN C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000190483592 473290910 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2.895 10 5 EFBELN COc1ccc(OC)c(NC(=O)Nc2cc([N+](=O)[O-])ccc2O)c1 ZINC000048564422 472889199 /nfs/dbraw/zinc/88/91/99/472889199.db2.gz IWVLRPFSNACCBC-UHFFFAOYSA-N 0 2 333.300 2.962 10 5 EFBELN O=C([O-])c1cc([N+](=O)[O-])cnc1/C=C/c1[nH+]ccn1CC(F)(F)F ZINC000171539966 473406878 /nfs/dbraw/zinc/40/68/78/473406878.db2.gz QSRSURJQHUMORR-OWOJBTEDSA-N 0 2 342.233 2.617 10 5 EFBELN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCO[C@@H](c2ccsc2)C1 ZINC000163376316 473439216 /nfs/dbraw/zinc/43/92/16/473439216.db2.gz IQTUNCMUXGOEKO-CQSZACIVSA-N 0 2 334.353 2.576 10 5 EFBELN C[C@H](Oc1ccc(F)c(F)c1)C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000166175426 473521654 /nfs/dbraw/zinc/52/16/54/473521654.db2.gz QYNPJDQYIMKMSS-QMMMGPOBSA-N 0 2 338.266 2.985 10 5 EFBELN C[C@@H](Oc1ccc(F)c(F)c1)C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000166175543 473522720 /nfs/dbraw/zinc/52/27/20/473522720.db2.gz QYNPJDQYIMKMSS-MRVPVSSYSA-N 0 2 338.266 2.985 10 5 EFBELN CCOc1ncc(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)cc1Cl ZINC000166192878 473523359 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CO[C@H](c1ccccc1F)[C@@H](C)NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000354534296 475226159 /nfs/dbraw/zinc/22/61/59/475226159.db2.gz BTZCCJHAJRVSMM-HWPZZCPQSA-N 0 2 348.330 2.946 10 5 EFBELN Cc1ccc([C@H](C)NC(=O)N=c2ncn(C(C)(C)C)[nH]2)cc1[N+](=O)[O-] ZINC000345598839 475296296 /nfs/dbraw/zinc/29/62/96/475296296.db2.gz YRZGKGLTYAMXFO-NSHDSACASA-N 0 2 346.391 2.554 10 5 EFBELN O=C(NCCc1ccc(F)c(F)c1F)c1cc(O)ccc1[N+](=O)[O-] ZINC000354634114 475305950 /nfs/dbraw/zinc/30/59/50/475305950.db2.gz ZOCPAVASRHPCLW-UHFFFAOYSA-N 0 2 340.257 2.690 10 5 EFBELN Cc1ccccc1OCCN(C)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000345629479 475319279 /nfs/dbraw/zinc/31/92/79/475319279.db2.gz NJMLDFFXDRUXMJ-UHFFFAOYSA-N 0 2 330.340 2.760 10 5 EFBELN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CC[C@H](COc2ccccc2)C1 ZINC000354663178 475323975 /nfs/dbraw/zinc/32/39/75/475323975.db2.gz WTNFBBKCIISAMG-ZDUSSCGKSA-N 0 2 342.351 2.842 10 5 EFBELN O=C(Nc1cc(C(F)(F)F)c[nH]c1=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000346223675 475573620 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CCOc1ccc(CNC(=O)c2cc(O)ccc2[N+](=O)[O-])cc1F ZINC000353310639 475858639 /nfs/dbraw/zinc/85/86/39/475858639.db2.gz DPAHLGDJQZKUQF-UHFFFAOYSA-N 0 2 334.303 2.768 10 5 EFBELN C[C@@H](CC(=O)c1cccs1)NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000346827414 475891946 /nfs/dbraw/zinc/89/19/46/475891946.db2.gz MIIRBEBZLOJSCB-VIFPVBQESA-N 0 2 334.353 2.753 10 5 EFBELN O=C(NCc1cccc(OC(F)F)c1)c1cccc(O)c1[N+](=O)[O-] ZINC000343285357 475919271 /nfs/dbraw/zinc/91/92/71/475919271.db2.gz YASAQHCSLDEWPZ-UHFFFAOYSA-N 0 2 338.266 2.832 10 5 EFBELN COc1ccc([C@H](C)NC(=O)c2cc(O)ccc2[N+](=O)[O-])cc1F ZINC000353710836 476209168 /nfs/dbraw/zinc/20/91/68/476209168.db2.gz UDQCGVSGWCIEFY-VIFPVBQESA-N 0 2 334.303 2.939 10 5 EFBELN O=C(c1cccc(O)c1[N+](=O)[O-])N1CCc2[nH]c3ccccc3c2C1 ZINC000373840161 476432463 /nfs/dbraw/zinc/43/24/63/476432463.db2.gz WAPWSFXOFYHOCF-UHFFFAOYSA-N 0 2 337.335 2.980 10 5 EFBELN COc1ccc(C[C@@H](C)CNC(=O)c2cc(O)ccc2[N+](=O)[O-])cc1 ZINC000354484071 476682840 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C[C@]1(C(=O)Nc2cc([N+](=O)[O-])ccc2O)CCOc2ccccc21 ZINC001556081429 1415051951 /nfs/dbraw/zinc/05/19/51/1415051951.db2.gz WMMLHLXZSRSJQK-KRWDZBQOSA-N 0 2 328.324 2.979 10 5 EFBELN O=C(Cc1ccc2c(c1)CCCO2)Nc1cc([N+](=O)[O-])ccc1O ZINC001567229977 1416003099 /nfs/dbraw/zinc/00/30/99/1416003099.db2.gz PQDQWEUVXUCGCQ-UHFFFAOYSA-N 0 2 328.324 2.807 10 5 EFBELN Cc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)c(C)n1-c1ccon1 ZINC001567229009 1416003394 /nfs/dbraw/zinc/00/33/94/1416003394.db2.gz DFXIFDKYKAZWED-UHFFFAOYSA-N 0 2 342.311 2.948 10 5 EFBELN O=C(NCC(F)(F)c1cccc(F)c1)c1ccc([N+](=O)[O-])cc1O ZINC001583912509 1092084690 /nfs/dbraw/zinc/08/46/90/1092084690.db2.gz QBZQMQDJGZMECK-UHFFFAOYSA-N 0 2 340.257 2.961 10 5 EFBELN C[C@@H]1c2ccccc2OCCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC001585105838 1092371275 /nfs/dbraw/zinc/37/12/75/1092371275.db2.gz ZEGGBCOIDGDZGJ-LLVKDONJSA-N 0 2 328.324 2.896 10 5 EFBELN O=C(Nc1ccn2cc[nH+]c2c1)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001623368215 1099580137 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2 336.344 2.607 10 5 EFBELN Nc1c(F)c(Cl)ccc1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC001633356204 1100538035 /nfs/dbraw/zinc/53/80/35/1100538035.db2.gz TUNNBAUXIRFPSD-UHFFFAOYSA-N 0 2 325.683 2.927 10 5 EFBELN Cc1c(C(=O)Nc2cc([N+](=O)[O-])ccc2O)n[nH]c1C(F)(F)F ZINC001633356642 1100538445 /nfs/dbraw/zinc/53/84/45/1100538445.db2.gz XOMRDHRFMXXXPO-UHFFFAOYSA-N 0 2 330.222 2.603 10 5 EFBELN COc1ccc(C[C@H]2CCN2C(=O)c2ccc([N+](=O)[O-])cc2O)cc1 ZINC001635351281 1100656389 /nfs/dbraw/zinc/65/63/89/1100656389.db2.gz YGRLMRBGOQXNNY-CYBMUJFWSA-N 0 2 342.351 2.766 10 5 EFBELN Cc1cc(CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])cc(C)[nH+]1 ZINC001639416791 1100946184 /nfs/dbraw/zinc/94/61/84/1100946184.db2.gz HFJVWNPMEJCLSX-UHFFFAOYSA-N 0 2 335.747 2.896 10 5 EFBELN O=C(Nc1cc(C2CCC2)nn1-c1ccccc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000840402677 1101061083 /nfs/dbraw/zinc/06/10/83/1101061083.db2.gz AJNDHHINHMDDGZ-UKRRQHHQSA-N 0 2 326.356 2.744 10 5 EFBELN COc1ccc(C2=N/C(=C\c3ccc([N+](=O)[O-])c(O)c3)C(=O)O2)cc1 ZINC000748156746 1102892574 /nfs/dbraw/zinc/89/25/74/1102892574.db2.gz HVJLNSSWSFFOEQ-JYRVWZFOSA-N 0 2 340.291 2.654 10 5 EFBELN C[C@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)[C@H]1Oc2ccccc2[C@@H]1C ZINC000439140505 299247279 /nfs/dbraw/zinc/24/72/79/299247279.db2.gz JYSLHPACJNLKIU-DINDLPBHSA-N 0 2 342.351 2.983 10 5 EFBELN O=[N+]([O-])c1cc(NS(=O)(=O)c2cccnc2Cl)ccc1F ZINC000037980024 202076028 /nfs/dbraw/zinc/07/60/28/202076028.db2.gz MLURZQVMIDLJJO-UHFFFAOYSA-N 0 2 331.712 2.583 10 5 EFBELN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCO[C@H](c2cccs2)C1 ZINC000158200545 206179121 /nfs/dbraw/zinc/17/91/21/206179121.db2.gz FASFDFKYTIIIHT-ZDUSSCGKSA-N 0 2 334.353 2.576 10 5 EFBELN Cc1cnc([C@H](NC(=O)c2cccc(O)c2[N+](=O)[O-])C2CC2)s1 ZINC000343465451 142003429 /nfs/dbraw/zinc/00/34/29/142003429.db2.gz FJSXYMZBRVNRGQ-GFCCVEGCSA-N 0 2 333.369 2.946 10 5 EFBELN O=C(NCC1(c2cccc(F)c2)CC1)c1cccc(O)c1[N+](=O)[O-] ZINC000343471618 142005021 /nfs/dbraw/zinc/00/50/21/142005021.db2.gz KUKKNWJORHUXAI-UHFFFAOYSA-N 0 2 330.315 2.901 10 5 EFBELN Cc1ccc(O[C@H](C)CNC(=O)c2cccc(O)c2[N+](=O)[O-])cc1 ZINC000343481482 142005970 /nfs/dbraw/zinc/00/59/70/142005970.db2.gz UISXURBCDKYCHW-GFCCVEGCSA-N 0 2 330.340 2.806 10 5 EFBELN CCN(Cc1ccc2c(c1)OCO2)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000346037079 142137421 /nfs/dbraw/zinc/13/74/21/142137421.db2.gz WSDWWQPOBCRSRM-UHFFFAOYSA-N 0 2 344.323 2.691 10 5 EFBELN CCN(CC)c1ccc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])cn1 ZINC000346178178 142161635 /nfs/dbraw/zinc/16/16/35/142161635.db2.gz DEDCQWIGIKNMMD-UHFFFAOYSA-N 0 2 330.344 2.794 10 5 EFBELN O=C(NCc1cc(-c2ccccc2)no1)c1cc(O)ccc1[N+](=O)[O-] ZINC000346200326 142166040 /nfs/dbraw/zinc/16/60/40/142166040.db2.gz QNRLDBCCAYCDIS-UHFFFAOYSA-N 0 2 339.307 2.885 10 5 EFBELN COc1cccc(F)c1[C@H](C)NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000346378117 142196344 /nfs/dbraw/zinc/19/63/44/142196344.db2.gz KSRFLCZASCNKCH-VIFPVBQESA-N 0 2 334.303 2.939 10 5 EFBELN O=C(Nc1ccc(OC(F)F)cn1)c1cccc(O)c1[N+](=O)[O-] ZINC000347628785 142247187 /nfs/dbraw/zinc/24/71/87/142247187.db2.gz JJYYSOWTZADQMK-UHFFFAOYSA-N 0 2 325.227 2.549 10 5 EFBELN COc1cc2c(cc1F)CN(C(=O)c1ccc([N+](=O)[O-])c(O)c1)CC2 ZINC000348081639 142318680 /nfs/dbraw/zinc/31/86/80/142318680.db2.gz KZZVXDJUZLVAAV-UHFFFAOYSA-N 0 2 346.314 2.647 10 5 EFBELN O=C(Nc1ccc(N2CCCCC2)nc1)c1cc(O)ccc1[N+](=O)[O-] ZINC000349613727 142340597 /nfs/dbraw/zinc/34/05/97/142340597.db2.gz FMXGGYHBSHXRGN-UHFFFAOYSA-N 0 2 342.355 2.938 10 5 EFBELN O=C(Nc1ccc(-c2nnco2)cc1)c1cc(O)ccc1[N+](=O)[O-] ZINC000349886915 142373936 /nfs/dbraw/zinc/37/39/36/142373936.db2.gz BILHOCJSOMAFOC-UHFFFAOYSA-N 0 2 326.268 2.603 10 5 EFBELN CC(C)CCOC1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000350014038 142390328 /nfs/dbraw/zinc/39/03/28/142390328.db2.gz GXRCMWSGCGILIH-UHFFFAOYSA-N 0 2 336.388 2.968 10 5 EFBELN Cc1sc(S(=O)(=O)Nc2ccc3c(c2)CCO3)cc1[N+](=O)[O-] ZINC000342369485 145109911 /nfs/dbraw/zinc/10/99/11/145109911.db2.gz BQSKUNOMRXQYSF-UHFFFAOYSA-N 0 2 340.382 2.700 10 5 EFBELN C[C@H](NC(=O)c1cccc(O)c1[N+](=O)[O-])c1nc2ccccc2[nH]1 ZINC000342944123 145226543 /nfs/dbraw/zinc/22/65/43/145226543.db2.gz IFRDUAOUWMXJCE-VIFPVBQESA-N 0 2 326.312 2.668 10 5 EFBELN O=C(NCc1cc(-c2ccccc2)no1)c1cccc(O)c1[N+](=O)[O-] ZINC000342948643 145227072 /nfs/dbraw/zinc/22/70/72/145227072.db2.gz XAWWQBOLOLVDMH-UHFFFAOYSA-N 0 2 339.307 2.885 10 5 EFBELN C[C@@H](NC(=O)c1cccc(O)c1[N+](=O)[O-])c1ccc2c(c1)OCO2 ZINC000342950337 145227714 /nfs/dbraw/zinc/22/77/14/145227714.db2.gz HKTQLVDDUBLFLI-SECBINFHSA-N 0 2 330.296 2.520 10 5 EFBELN O=C(c1cccc(O)c1[N+](=O)[O-])N1CCC=C(c2ccncc2)C1 ZINC000343629168 145256515 /nfs/dbraw/zinc/25/65/15/145256515.db2.gz QSIFDJPRVYROKQ-UHFFFAOYSA-N 0 2 325.324 2.625 10 5 EFBELN Cc1ccc(NC(=O)c2cccc(O)c2[N+](=O)[O-])cc1C(=O)N(C)C ZINC000343743411 145284380 /nfs/dbraw/zinc/28/43/80/145284380.db2.gz VFBHIBFRHAJPFN-UHFFFAOYSA-N 0 2 343.339 2.563 10 5 EFBELN C[C@H](CCc1ccc(O)cc1)NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000343810713 145300493 /nfs/dbraw/zinc/30/04/93/145300493.db2.gz QYCMIUSKJIOSIR-LLVKDONJSA-N 0 2 330.340 2.757 10 5 EFBELN C[C@@H](CC(=O)c1cccs1)NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000343873301 145313425 /nfs/dbraw/zinc/31/34/25/145313425.db2.gz UAJQWBSXGDLUDM-VIFPVBQESA-N 0 2 334.353 2.753 10 5 EFBELN CNC(=O)c1cc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])ccc1Cl ZINC000351639428 146165736 /nfs/dbraw/zinc/16/57/36/146165736.db2.gz BOEMHUQLPIIMCA-UHFFFAOYSA-N 0 2 349.730 2.566 10 5 EFBELN C[C@@H]1CCc2nc(C=Cc3[nH]c(=O)[nH]c(=O)c3[N+](=O)[O-])sc2C1 ZINC000352029184 146269678 /nfs/dbraw/zinc/26/96/78/146269678.db2.gz XXZHLETVCONKDX-IQXGSHKSSA-N 0 2 334.357 2.548 10 5 EFBELN CCO[C@@H](CNC(=O)c1cc(O)ccc1[N+](=O)[O-])c1ccccc1 ZINC000355575015 147000323 /nfs/dbraw/zinc/00/03/23/147000323.db2.gz WSTQLSDTMGFHNO-INIZCTEOSA-N 0 2 330.340 2.808 10 5 EFBELN O=C(NCCOc1ccc(Cl)cc1)c1cccc(O)c1[N+](=O)[O-] ZINC000355901751 147094108 /nfs/dbraw/zinc/09/41/08/147094108.db2.gz ABOUMHWYZDTBPI-UHFFFAOYSA-N 0 2 336.731 2.763 10 5 EFBELN Cc1sc(C(=O)Nc2cccc(-c3n[nH]c(=O)[nH]3)c2)cc1[N+](=O)[O-] ZINC000356026681 147127324 /nfs/dbraw/zinc/12/73/24/147127324.db2.gz UTNLYOIZSDSSBM-UHFFFAOYSA-N 0 2 345.340 2.708 10 5 EFBELN O=C(Nc1cccc(N2CCCC2=O)c1)c1cccc(O)c1[N+](=O)[O-] ZINC000356268563 147195083 /nfs/dbraw/zinc/19/50/83/147195083.db2.gz MYXPMTPKHUGGJX-UHFFFAOYSA-N 0 2 341.323 2.680 10 5 EFBELN O=C(Nc1ccc2c(c1)CCCC(=O)N2)c1cccc(O)c1[N+](=O)[O-] ZINC000373827841 151232472 /nfs/dbraw/zinc/23/24/72/151232472.db2.gz ZDKKYNSYPOFKAA-UHFFFAOYSA-N 0 2 341.323 2.828 10 5 EFBELN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCc2c(F)cc(F)cc2C1 ZINC000354117636 304502140 /nfs/dbraw/zinc/50/21/40/304502140.db2.gz SEGBYBGHGNZSGK-UHFFFAOYSA-N 0 2 334.278 2.777 10 5 EFBELN Cc1nc(NS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)oc1C ZINC000272086211 266148198 /nfs/dbraw/zinc/14/81/98/266148198.db2.gz BZIVHHLDHXNWGJ-UHFFFAOYSA-N 0 2 345.764 2.962 10 5 EFBELN O=C(NC[C@H]1CCN(c2ccccc2)C1)c1cccc(O)c1[N+](=O)[O-] ZINC000280752300 273362938 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2.903 10 5 EFBELN C[C@H](C1CC1)n1nccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000171342311 298261090 /nfs/dbraw/zinc/26/10/90/298261090.db2.gz YZXVHBMARYOQBE-SNVBAGLBSA-N 0 2 336.373 2.563 10 5 EFBELN Cc1cccc2c1OCC[C@@H]2NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000188095924 302061098 /nfs/dbraw/zinc/06/10/98/302061098.db2.gz XNTHRWWSLPXECT-ZDUSSCGKSA-N 0 2 328.324 2.862 10 5 EFBELN Cc1cccc2c1OCC[C@H]2NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000375996885 302062170 /nfs/dbraw/zinc/06/21/70/302062170.db2.gz CKSPVPGBWJFMND-CQSZACIVSA-N 0 2 328.324 2.862 10 5 EFBELN Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000179484274 302776075 /nfs/dbraw/zinc/77/60/75/302776075.db2.gz PIWAQIZQOVMCCZ-CQSZACIVSA-N 0 2 344.371 2.628 10 5 EFBELN O=C(c1ccc([N+](=O)[O-])cc1O)N1CC=C(c2ccccc2F)C1 ZINC000368415576 311935518 /nfs/dbraw/zinc/93/55/18/311935518.db2.gz CIGSYUVMBBFILM-UHFFFAOYSA-N 0 2 328.299 2.979 10 5 EFBELN COc1ccccc1[C@@]1(C)C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436989081 312606605 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O=C(c1cccc(O)c1[N+](=O)[O-])N1CC(F)(c2ccccc2F)C1 ZINC000590437798 479647454 /nfs/dbraw/zinc/64/74/54/479647454.db2.gz HQGOYFHGEHTSGM-UHFFFAOYSA-N 0 2 334.278 2.760 10 5 EFBELN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC(=O)C[C@@H]1c1ccccc1 ZINC000590556570 479659675 /nfs/dbraw/zinc/65/96/75/479659675.db2.gz JKTRAWQYFOCLOX-MRXNPFEDSA-N 0 2 340.335 2.847 10 5 EFBELN CCCn1nccc1NS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC000351439789 535643001 /nfs/dbraw/zinc/64/30/01/535643001.db2.gz HIDNKHDPWQGBGF-UHFFFAOYSA-N 0 2 338.389 2.619 10 5 EFBELN CNC(=O)c1ccc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])cc1Cl ZINC000350718830 536433102 /nfs/dbraw/zinc/43/31/02/536433102.db2.gz HCJBHHYFYPQLGP-UHFFFAOYSA-N 0 2 349.730 2.566 10 5 EFBELN COc1ccc(F)cc1[C@H](C)NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000346216047 536639064 /nfs/dbraw/zinc/63/90/64/536639064.db2.gz HLBOGHXEVKOOBT-VIFPVBQESA-N 0 2 334.303 2.939 10 5 EFBELN C[C@H](NC(=O)c1cc(O)ccc1[N+](=O)[O-])c1ccc([S@@](C)=O)cc1 ZINC000354323410 546070886 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344.367 2.885 10 5 EFBELN C[C@@H](C[C@@H](O)c1cccs1)NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000791394063 1278082166 /nfs/dbraw/zinc/08/21/66/1278082166.db2.gz YWHJYSUJGLVDIX-TVQRCGJNSA-N 0 2 336.369 2.604 10 5 EFBELN O=C(Nc1nc(-c2ccco2)n[nH]1)c1c(Cl)cccc1[N+](=O)[O-] ZINC001134128743 1286355663 /nfs/dbraw/zinc/35/56/63/1286355663.db2.gz VZWMGTHKIDLQRK-UHFFFAOYSA-N 0 2 333.691 2.879 10 5 EFBELN C[C@@]12CCN(C(=O)c3cc(O)ccc3[N+](=O)[O-])C[C@@H]1C2(Cl)Cl ZINC000803547301 1312787956 /nfs/dbraw/zinc/78/79/56/1312787956.db2.gz ANVLTJDOQFEZSI-WCQYABFASA-N 0 2 345.182 2.956 10 5 EFBELN CC(=O)Nc1ccc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])cc1C ZINC000795036562 1304458221 /nfs/dbraw/zinc/45/82/21/1304458221.db2.gz HMMCJTUSAIIOMW-UHFFFAOYSA-N 0 2 329.312 2.820 10 5 EFBELN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCC[C@@H](OC2CCC2)CC1 ZINC000871326139 1305996594 /nfs/dbraw/zinc/99/65/94/1305996594.db2.gz BQRMFYLKMQKAGV-CQSZACIVSA-N 0 2 334.372 2.864 10 5 EFBELN CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc2[nH]nnc2c1 ZINC001158755838 1311381191 /nfs/dbraw/zinc/38/11/91/1311381191.db2.gz AICVMHBOPGZXSS-UHFFFAOYSA-N 0 2 340.343 2.939 10 5 EFBELN O=C(Nc1nnc(C(F)(F)F)s1)c1c(F)cccc1[N+](=O)[O-] ZINC001264386761 1316610763 /nfs/dbraw/zinc/61/07/63/1316610763.db2.gz SJMJOFTYAMPAIN-UHFFFAOYSA-N 0 2 336.226 2.857 10 5 EFBELN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1ccnc(OC(F)F)c1 ZINC001295970544 1322829523 /nfs/dbraw/zinc/82/95/23/1322829523.db2.gz JEBWORAJLYKYHT-UHFFFAOYSA-N 0 2 325.227 2.549 10 5 EFBELN C[C@H](c1ccccc1F)[C@H](O)C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC001295972250 1322830347 /nfs/dbraw/zinc/83/03/47/1322830347.db2.gz LTKAEVMNHVOZEO-PSLIRLAXSA-N 0 2 334.303 2.543 10 5 EFBELN O=C(c1ccc([N+](=O)[O-])cc1O)N1CC2(CC2)Oc2ccccc21 ZINC001304757140 1324661387 /nfs/dbraw/zinc/66/13/87/1324661387.db2.gz IAFFJWNIQZUONE-UHFFFAOYSA-N 0 2 326.308 2.872 10 5 EFBELN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cccc2c1OCCCO2 ZINC001556080848 1415051751 /nfs/dbraw/zinc/05/17/51/1415051751.db2.gz WPFSNDGRHWVCCR-UHFFFAOYSA-N 0 2 330.296 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Cc1ccc2cccc(Oc3ncnc(NN(C)C)c3[N+](=O)[O-])c2n1 ZINC000040618598 213359944 /nfs/dbraw/zinc/35/99/44/213359944.db2.gz UDNBQANJYGXCTJ-UHFFFAOYSA-N 0 2 340.343 2.922 10 5 EFBELN Cc1nn(C(F)F)c(C)c1CC(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000183915798 235260307 /nfs/dbraw/zinc/26/03/07/235260307.db2.gz OWRLMKXCDUEBIY-UHFFFAOYSA-N 0 2 340.286 2.690 10 5 EFBELN C[C@H](COCc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000174590088 239235944 /nfs/dbraw/zinc/23/59/44/239235944.db2.gz XDHCLOUXVFRIEA-GFCCVEGCSA-N 0 2 330.340 2.636 10 5 EFBELN CCc1cc(Sc2n[nH]c(=O)[nH]2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000192751934 240062371 /nfs/dbraw/zinc/06/23/71/240062371.db2.gz PTWPCBOWWOGEIU-UHFFFAOYSA-N 0 2 344.356 2.589 10 5 EFBELN O=[N+]([O-])c1ccc(C[NH2+]CCC[NH2+]Cc2cccnc2)c(Cl)c1 ZINC000414872558 244380623 /nfs/dbraw/zinc/38/06/23/244380623.db2.gz FRXAVBJMFSVIQU-UHFFFAOYSA-N 0 2 334.807 2.913 10 5 EFBELN COc1ccc([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])c(O)c2)cc1F ZINC000014022131 211671847 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COC(=O)CC1(CC(=O)Nc2ccc(O)c([N+](=O)[O-])c2)CCCC1 ZINC000348802766 146004404 /nfs/dbraw/zinc/00/44/04/146004404.db2.gz NGUZLSBUASQGPV-UHFFFAOYSA-N 0 2 336.344 2.753 10 5 EFBELN O=[N+]([O-])c1cc(Br)cc(NS(=O)(=O)c2ccoc2)c1 ZINC000350900836 146100219 /nfs/dbraw/zinc/10/02/19/146100219.db2.gz YWVRLBDQRUTVKV-UHFFFAOYSA-N 0 2 347.146 2.751 10 5 EFBELN O=c1[nH]c(=O)c([N+](=O)[O-])c(C=Cc2cc(Cl)c(O)cc2Cl)[nH]1 ZINC000352028723 146270214 /nfs/dbraw/zinc/27/02/14/146270214.db2.gz VHGDCFWDQMRIKB-OWOJBTEDSA-N 0 2 344.110 2.979 10 5 EFBELN COc1cccc(C[C@H](C)NC(=O)c2cc(O)ccc2[N+](=O)[O-])c1 ZINC000352837198 146329515 /nfs/dbraw/zinc/32/95/15/146329515.db2.gz BYVATGJUWMNJGN-NSHDSACASA-N 0 2 330.340 2.670 10 5 EFBELN O=C(N[C@@H]1C[C@H]1c1c(F)cccc1F)c1cc(O)ccc1[N+](=O)[O-] ZINC000353066551 146389153 /nfs/dbraw/zinc/38/91/53/146389153.db2.gz WGJGKYFQWWIMHA-NOZJJQNGSA-N 0 2 334.278 2.865 10 5 EFBELN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)C1(c2ccccc2)CC(=O)C1 ZINC000355573887 147000852 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CC(C)(C)c1csc(CNC(=O)c2cccc(O)c2[N+](=O)[O-])n1 ZINC000280854657 273374179 /nfs/dbraw/zinc/37/41/79/273374179.db2.gz WPCOHOHVGPCSCB-UHFFFAOYSA-N 0 2 335.385 2.984 10 5 EFBELN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)c1ccc(NCC2CC2)nc1 ZINC000282317776 273545349 /nfs/dbraw/zinc/54/53/49/273545349.db2.gz VVDNVZKFROYJHL-UHFFFAOYSA-N 0 2 328.328 2.770 10 5 EFBELN CC1(C)CN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC2(CCCC2)O1 ZINC000189963109 281221840 /nfs/dbraw/zinc/22/18/40/281221840.db2.gz XHHIOKMVYZIYNL-UHFFFAOYSA-N 0 2 334.372 2.864 10 5 EFBELN CCCn1nccc1NS(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000066253233 292688346 /nfs/dbraw/zinc/68/83/46/292688346.db2.gz VSDDZYXGNXTGEY-UHFFFAOYSA-N 0 2 338.389 2.619 10 5 EFBELN CO[C@@H](CCNC(=O)CCc1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000346907633 293499338 /nfs/dbraw/zinc/49/93/38/293499338.db2.gz DGXUYANSSWFIJS-LBPRGKRZSA-N 0 2 334.294 2.611 10 5 EFBELN Cc1nsc(NC2CC2)c1C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000293323983 294940396 /nfs/dbraw/zinc/94/03/96/294940396.db2.gz AJNDWTJSEGKQET-UHFFFAOYSA-N 0 2 334.357 2.892 10 5 EFBELN CC1(C)CN(C(=O)c2cccc(O)c2[N+](=O)[O-])[C@@H]1c1cccnc1 ZINC000293679701 295026525 /nfs/dbraw/zinc/02/65/25/295026525.db2.gz HBYTYVXAJFSKFH-OAHLLOKOSA-N 0 2 327.340 2.919 10 5 EFBELN O=c1[nH]nc(Sc2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)[nH]1 ZINC000337942502 304804480 /nfs/dbraw/zinc/80/44/80/304804480.db2.gz JVEQYXBRLUDBTJ-UHFFFAOYSA-N 0 2 333.304 2.771 10 5 EFBELN CCCNC(=O)c1ccc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])cc1 ZINC000507191433 315478043 /nfs/dbraw/zinc/47/80/43/315478043.db2.gz PEJLRKFLDKTIRO-UHFFFAOYSA-N 0 2 343.339 2.693 10 5 EFBELN O=C(NC1CCN(c2ccccc2)CC1)c1cc(O)ccc1[N+](=O)[O-] ZINC000507439871 315485787 /nfs/dbraw/zinc/48/57/87/315485787.db2.gz GYPHVIDJRNVYLY-UHFFFAOYSA-N 0 2 341.367 2.699 10 5 EFBELN CSc1ncc(Cl)c(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)n1 ZINC000548518836 318117059 /nfs/dbraw/zinc/11/70/59/318117059.db2.gz WGOZFUGWGCKUER-UHFFFAOYSA-N 0 2 340.748 2.718 10 5 EFBELN O=C(N=c1cc(CC2CCCCC2)[nH][nH]1)c1cccc(O)c1[N+](=O)[O-] ZINC000563848986 318821036 /nfs/dbraw/zinc/82/10/36/318821036.db2.gz GYBHLLVUSKQBDX-UHFFFAOYSA-N 0 2 344.371 2.821 10 5 EFBELN C[C@H](Cc1ccc(O)cc1)N(C)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000184899756 473267325 /nfs/dbraw/zinc/26/73/25/473267325.db2.gz OKKWRMKFDAJMJC-LLVKDONJSA-N 0 2 330.340 2.709 10 5 EFBELN Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000177210842 473332140 /nfs/dbraw/zinc/33/21/40/473332140.db2.gz VMHBDPXQQLQHOE-AWEZNQCLSA-N 0 2 341.371 2.906 10 5 EFBELN C[C@@H](C1CC1)n1nccc1NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000171342498 473367173 /nfs/dbraw/zinc/36/71/73/473367173.db2.gz JIEAXWPUKSIRNK-JTQLQIEISA-N 0 2 336.373 2.563 10 5 EFBELN O=c1nc2n(-c3cccc(F)c3)c3c(Cl)cccc3cc-2c(=O)[nH]1 ZINC000096286462 473371402 /nfs/dbraw/zinc/37/14/02/473371402.db2.gz GFQMVLSKRBIQSS-UHFFFAOYSA-N 0 2 341.729 2.971 10 5 EFBELN COc1ccc(-c2csc(NC(=O)[C@@H]3C[C@@H]3[N+](=O)[O-])n2)cc1F ZINC000083957115 473378790 /nfs/dbraw/zinc/37/87/90/473378790.db2.gz ZPFHPUXZXNQYJQ-KCJUWKMLSA-N 0 2 337.332 2.562 10 5 EFBELN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1ccc2c(c1)OCO2 ZINC000014484658 471873043 /nfs/dbraw/zinc/87/30/43/471873043.db2.gz NGSJFMYTSZNEDJ-SECBINFHSA-N 0 2 330.296 2.520 10 5 EFBELN CCc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)cc1 ZINC000028807897 472237492 /nfs/dbraw/zinc/23/74/92/472237492.db2.gz CQSGELWQIXIKCN-UHFFFAOYSA-N 0 2 336.369 2.967 10 5 EFBELN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1ccc(-c2ncon2)cc1 ZINC000092546904 472933435 /nfs/dbraw/zinc/93/34/35/472933435.db2.gz WCQPGGRLRGUGSN-UHFFFAOYSA-N 0 2 326.268 2.603 10 5 EFBELN CC(C)Cc1cc(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)cc(=O)[nH]1 ZINC000166173850 473522187 /nfs/dbraw/zinc/52/21/87/473522187.db2.gz AJHROYKACJJFSO-UHFFFAOYSA-N 0 2 331.328 2.852 10 5 EFBELN Cc1nn2c(nc(C)cc2C)c1C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000186022015 473573546 /nfs/dbraw/zinc/57/35/46/473573546.db2.gz CIQDCDPEAFWLAF-UHFFFAOYSA-N 0 2 341.327 2.521 10 5 EFBELN Cc1cc(S(=O)(=O)Nc2cc(C3CC3)nc(C)n2)ccc1[N+](=O)[O-] ZINC000187757164 473914936 /nfs/dbraw/zinc/91/49/36/473914936.db2.gz AUMTWZPJPZFOHY-UHFFFAOYSA-N 0 2 348.384 2.680 10 5 EFBELN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)[C@@H]1CC(=O)Nc2cc(F)ccc21 ZINC000183905782 474443683 /nfs/dbraw/zinc/44/36/83/474443683.db2.gz AUKLOWOONBARJP-LLVKDONJSA-N 0 2 345.286 2.504 10 5 EFBELN Cc1cc2c(cc1C)O[C@@H](C(=O)Nc1ccc(O)c([N+](=O)[O-])c1)C2 ZINC000183904269 474444206 /nfs/dbraw/zinc/44/42/06/474444206.db2.gz MNSKGMLAWAAZNC-MRXNPFEDSA-N 0 2 328.324 2.859 10 5 EFBELN CCc1[nH]c(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)c(C)c1C(=O)OC ZINC000273419006 474888264 /nfs/dbraw/zinc/88/82/64/474888264.db2.gz XIRXZCGJGUSHCL-UHFFFAOYSA-N 0 2 347.327 2.538 10 5 EFBELN CO[C@@H](c1ccccc1F)[C@H](C)NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000354534297 475226483 /nfs/dbraw/zinc/22/64/83/475226483.db2.gz BTZCCJHAJRVSMM-MGPLVRAMSA-N 0 2 348.330 2.946 10 5 EFBELN CO[C@H](c1ccc(F)cc1)[C@@H](C)NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000354559195 475253673 /nfs/dbraw/zinc/25/36/73/475253673.db2.gz DGURYFJMKQVXFD-HWPZZCPQSA-N 0 2 348.330 2.946 10 5 EFBELN CC1(CNC(=O)c2cc(O)ccc2[N+](=O)[O-])Cc2ccccc2C1 ZINC000354566708 475258512 /nfs/dbraw/zinc/25/85/12/475258512.db2.gz MJCFWRUOJJUKOC-UHFFFAOYSA-N 0 2 326.352 2.835 10 5 EFBELN CC[C@@H](C)Oc1cc(CNC(=O)c2cc(O)ccc2[N+](=O)[O-])ccn1 ZINC000354725098 475362318 /nfs/dbraw/zinc/36/23/18/475362318.db2.gz SUESAJCNFURHAQ-LLVKDONJSA-N 0 2 345.355 2.803 10 5 EFBELN CC(=O)Nc1cc(NC(=O)c2cccc(O)c2[N+](=O)[O-])ccc1F ZINC000358079553 475382038 /nfs/dbraw/zinc/38/20/38/475382038.db2.gz GKFNPFPKCBYBFD-UHFFFAOYSA-N 0 2 333.275 2.650 10 5 EFBELN O=C(NCc1nc2ccccc2s1)c1cccc(O)c1[N+](=O)[O-] ZINC000358108832 475406387 /nfs/dbraw/zinc/40/63/87/475406387.db2.gz KDFBIOFYRLADMB-UHFFFAOYSA-N 0 2 329.337 2.840 10 5 EFBELN CC(C)(C)OCc1cc(CNC(=O)c2cc(O)ccc2[N+](=O)[O-])no1 ZINC000354846544 475456258 /nfs/dbraw/zinc/45/62/58/475456258.db2.gz ZMAJKFVFDSPMLN-UHFFFAOYSA-N 0 2 349.343 2.534 10 5 EFBELN CNC(=O)c1cc(NC(=O)c2cccc(O)c2[N+](=O)[O-])ccc1Cl ZINC000343076605 475745962 /nfs/dbraw/zinc/74/59/62/475745962.db2.gz GHOLOWUJPUCNBL-UHFFFAOYSA-N 0 2 349.730 2.566 10 5 EFBELN O=C(NCc1nc(C(F)(F)F)cs1)c1cc(O)ccc1[N+](=O)[O-] ZINC000353229262 475786237 /nfs/dbraw/zinc/78/62/37/475786237.db2.gz DWUUHSRALQIPIR-UHFFFAOYSA-N 0 2 347.274 2.706 10 5 EFBELN C[C@H](CCc1ccc(O)cc1)NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000346815703 475881431 /nfs/dbraw/zinc/88/14/31/475881431.db2.gz DPJUVLZQXPTIHH-LLVKDONJSA-N 0 2 330.340 2.757 10 5 EFBELN COc1ccc(NC(C)=O)cc1NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000355457712 475954749 /nfs/dbraw/zinc/95/47/49/475954749.db2.gz PFSBXEBQIBMYHS-UHFFFAOYSA-N 0 2 345.311 2.520 10 5 EFBELN Cc1ccccc1O[C@@H](C)CNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000353472707 475997894 /nfs/dbraw/zinc/99/78/94/475997894.db2.gz PQAUBVQUMYHISD-LBPRGKRZSA-N 0 2 330.340 2.806 10 5 EFBELN COc1cccc(O[C@H](C)CNC(=O)c2cc(O)ccc2[N+](=O)[O-])c1 ZINC000353479801 476005448 /nfs/dbraw/zinc/00/54/48/476005448.db2.gz DBUMNTAWJWOHFA-LLVKDONJSA-N 0 2 346.339 2.506 10 5 EFBELN COC(=O)c1cc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])ccc1C ZINC000353709152 476208262 /nfs/dbraw/zinc/20/82/62/476208262.db2.gz JHWGGSZLMIKGKR-UHFFFAOYSA-N 0 2 330.296 2.648 10 5 EFBELN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc2[nH]ccc21 ZINC000357149048 476264931 /nfs/dbraw/zinc/26/49/31/476264931.db2.gz AOFHLBVVPPGXEP-UHFFFAOYSA-N 0 2 347.352 2.886 10 5 EFBELN CCOc1cc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])ccc1OC ZINC000350616736 476267179 /nfs/dbraw/zinc/26/71/79/476267179.db2.gz VPBWTJYWLCDOKU-UHFFFAOYSA-N 0 2 332.312 2.960 10 5 EFBELN CCn1c2ccccc2nc1NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000362505484 476288635 /nfs/dbraw/zinc/28/86/35/476288635.db2.gz NDGGTDZEOKAEPR-UHFFFAOYSA-N 0 2 326.312 2.922 10 5 EFBELN O=C(Nc1ccc(O[C@H]2CCOC2)cc1)c1cc(O)ccc1[N+](=O)[O-] ZINC000353910733 476321491 /nfs/dbraw/zinc/32/14/91/476321491.db2.gz QBFXNGADKGIMRD-AWEZNQCLSA-N 0 2 344.323 2.720 10 5 EFBELN COc1cc(F)c(F)cc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000357328081 476332849 /nfs/dbraw/zinc/33/28/49/476332849.db2.gz HYIOMLZJGYWKQG-UHFFFAOYSA-N 0 2 344.295 2.682 10 5 EFBELN O=C(N[C@@H](c1ccccc1)[C@@H]1CCOC1)c1cc([N+](=O)[O-])ccc1O ZINC000360672058 476336586 /nfs/dbraw/zinc/33/65/86/476336586.db2.gz MOMHWJSUGQJDPD-DYVFJYSZSA-N 0 2 342.351 2.808 10 5 EFBELN O=C(Nc1nccn1Cc1ccccc1)c1cccc(O)c1[N+](=O)[O-] ZINC000362656553 476343057 /nfs/dbraw/zinc/34/30/57/476343057.db2.gz LYRAPRIYHWIWRP-UHFFFAOYSA-N 0 2 338.323 2.798 10 5 EFBELN O=C(c1cccc(O)c1[N+](=O)[O-])N1CCO[C@H](c2ccccc2F)C1 ZINC000370202776 476696182 /nfs/dbraw/zinc/69/61/82/476696182.db2.gz XNYMCYOGOMOLKP-HNNXBMFYSA-N 0 2 346.314 2.653 10 5 EFBELN O=C(c1cccc(O)c1[N+](=O)[O-])N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000370459314 476820004 /nfs/dbraw/zinc/82/00/04/476820004.db2.gz HQEPUFCUHYAHNX-OAHLLOKOSA-N 0 2 346.314 2.653 10 5 EFBELN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CC[C@H](Nc2ccccc2)C1 ZINC000370599383 476888248 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Cc1c(C[S@@](C)=O)cccc1NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000352987838 146367351 /nfs/dbraw/zinc/36/73/51/146367351.db2.gz OHZVARLYBUWAIE-XMMPIXPASA-N 0 2 348.380 2.740 10 5 EFBELN CCC1(CC)[C@H](NC(=O)c2cc(O)ccc2[N+](=O)[O-])[C@@H](C)[C@H]1OC ZINC000355585442 147004383 /nfs/dbraw/zinc/00/43/83/147004383.db2.gz NMXSXKPPRPUEDD-VCTAVGKDSA-N 0 2 336.388 2.870 10 5 EFBELN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)c1cc2ccccc2c(=O)o1 ZINC000355901967 147095261 /nfs/dbraw/zinc/09/52/61/147095261.db2.gz XOPIOSJXODWNCE-UHFFFAOYSA-N 0 2 326.264 2.659 10 5 EFBELN C[C@@H](NC(=O)c1cc(O)ccc1[N+](=O)[O-])[C@H]1OCCc2sccc21 ZINC000355937243 147103473 /nfs/dbraw/zinc/10/34/73/147103473.db2.gz HTYYOFKIEOGRNO-RFAUZJTJSA-N 0 2 348.380 2.794 10 5 EFBELN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)c1ccc2c(c1)SCC(=O)N2 ZINC000368228585 150072273 /nfs/dbraw/zinc/07/22/73/150072273.db2.gz YBAIYNPUFYLMKE-UHFFFAOYSA-N 0 2 345.336 2.597 10 5 EFBELN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CC[C@@H](Oc2ccccc2)C1 ZINC000374211470 151301457 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COc1ccc2[nH]cc(CC(=O)Nc3ccc(O)c([N+](=O)[O-])c3)c2c1 ZINC000183918592 323351454 /nfs/dbraw/zinc/35/14/54/323351454.db2.gz PXUGQSVQFHYFRI-UHFFFAOYSA-N 0 2 341.323 2.972 10 5 EFBELN C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000190488863 473292528 /nfs/dbraw/zinc/29/25/28/473292528.db2.gz JDUHELZMFSUSRK-KRWDZBQOSA-N 0 2 340.427 2.944 10 5 EFBELN COc1ccc(-c2csc(NC(=O)[C@H]3C[C@@H]3[N+](=O)[O-])n2)cc1F ZINC000083957120 473378674 /nfs/dbraw/zinc/37/86/74/473378674.db2.gz ZPFHPUXZXNQYJQ-KWQFWETISA-N 0 2 337.332 2.562 10 5 EFBELN O=c1[nH]nc(CNc2cc([N+](=O)[O-])ccc2Sc2cccs2)[nH]1 ZINC000097053215 472428435 /nfs/dbraw/zinc/42/84/35/472428435.db2.gz HOKYXDZBWLILRZ-UHFFFAOYSA-N 0 2 349.397 2.831 10 5 EFBELN Cc1nc(C(=O)Nc2nc(-c3cccc(C)c3[N+](=O)[O-])n[nH]2)cs1 ZINC000069848433 472451818 /nfs/dbraw/zinc/45/18/18/472451818.db2.gz MBBICQNJRHIKFU-UHFFFAOYSA-N 0 2 344.356 2.706 10 5 EFBELN Cn1nc(CC(C)(C)C)cc1NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000071888536 472600921 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O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC[C@@H]1C[C@H](O)c1ccco1 ZINC000188108091 473983646 /nfs/dbraw/zinc/98/36/46/473983646.db2.gz UMIKGDVQARZTQQ-ABAIWWIYSA-N 0 2 346.339 2.622 10 5 EFBELN CC[C@@H](NC(=O)c1cccc2[nH]nnc21)c1cccc([N+](=O)[O-])c1 ZINC000182795108 474257088 /nfs/dbraw/zinc/25/70/88/474257088.db2.gz HIMOVXKPQWXZNT-CYBMUJFWSA-N 0 2 325.328 2.747 10 5 EFBELN Cc1nc(-c2cccc(NC(=O)c3ccc(O)c([N+](=O)[O-])c3)c2)no1 ZINC000183488346 474385738 /nfs/dbraw/zinc/38/57/38/474385738.db2.gz ZNUCDAFBWQYQBE-UHFFFAOYSA-N 0 2 340.295 2.911 10 5 EFBELN CCO[C@@H]1C[C@@H](N(C)C(=O)c2cccc(O)c2[N+](=O)[O-])C12CCC2 ZINC000283577727 474440113 /nfs/dbraw/zinc/44/01/13/474440113.db2.gz WSCTUIFHYSRTGR-ZIAGYGMSSA-N 0 2 334.372 2.720 10 5 EFBELN O=C(NCCCNc1cccc(F)c1)c1cc(O)ccc1[N+](=O)[O-] ZINC000354785666 475409375 /nfs/dbraw/zinc/40/93/75/475409375.db2.gz OQSLUNRWXRUUTI-UHFFFAOYSA-N 0 2 333.319 2.672 10 5 EFBELN COc1ccccc1CCN(C)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000352596743 475447983 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COc1cc2c(cc1F)CC[C@H]2NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000338355684 475820868 /nfs/dbraw/zinc/82/08/68/475820868.db2.gz VLRYUYWWJKYIEP-CYBMUJFWSA-N 0 2 346.314 2.865 10 5 EFBELN CCn1ncc2ccc(NC(=O)c3cccc(O)c3[N+](=O)[O-])cc21 ZINC000343262210 475900632 /nfs/dbraw/zinc/90/06/32/475900632.db2.gz GZDGZGNZDHMQMH-UHFFFAOYSA-N 0 2 326.312 2.922 10 5 EFBELN COc1ccccc1C(C)(C)NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000343277416 475912699 /nfs/dbraw/zinc/91/26/99/475912699.db2.gz XWGROINXUZUWAY-UHFFFAOYSA-N 0 2 330.340 2.974 10 5 EFBELN O=C(NCCCOc1ccc(F)cc1)c1cccc(O)c1[N+](=O)[O-] ZINC000343289129 475922482 /nfs/dbraw/zinc/92/24/82/475922482.db2.gz PKTYVSKTIHMLKN-UHFFFAOYSA-N 0 2 334.303 2.638 10 5 EFBELN COc1cccc(O[C@@H](C)CNC(=O)c2cc(O)ccc2[N+](=O)[O-])c1 ZINC000353479803 476005002 /nfs/dbraw/zinc/00/50/02/476005002.db2.gz DBUMNTAWJWOHFA-NSHDSACASA-N 0 2 346.339 2.506 10 5 EFBELN C[C@@H](CNC(=O)c1cc(O)ccc1[N+](=O)[O-])Oc1ccccc1F ZINC000354165890 476474586 /nfs/dbraw/zinc/47/45/86/476474586.db2.gz VGSBGUSNSFZXPW-JTQLQIEISA-N 0 2 334.303 2.637 10 5 EFBELN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cccc2ccc(=O)[nH]c21 ZINC000362961296 476505313 /nfs/dbraw/zinc/50/53/13/476505313.db2.gz VJHQMFXWTUJBJA-UHFFFAOYSA-N 0 2 325.280 2.807 10 5 EFBELN CCCCCn1cc(CNC(=O)c2cc(O)ccc2[N+](=O)[O-])c(C)n1 ZINC000354399219 476636230 /nfs/dbraw/zinc/63/62/30/476636230.db2.gz YMXVTOGGVTWHEG-UHFFFAOYSA-N 0 2 346.387 2.926 10 5 EFBELN O=C(c1cccc(O)c1[N+](=O)[O-])N1CCO[C@@H](c2cccc(F)c2)C1 ZINC000370202406 476695688 /nfs/dbraw/zinc/69/56/88/476695688.db2.gz BJWBWBMLBUIFLN-OAHLLOKOSA-N 0 2 346.314 2.653 10 5 EFBELN C[C@@]1(CNC(=O)c2cc(O)ccc2[N+](=O)[O-])OCCc2sccc21 ZINC000365801957 476706615 /nfs/dbraw/zinc/70/66/15/476706615.db2.gz YTVALSSEVRIOEO-INIZCTEOSA-N 0 2 348.380 2.580 10 5 EFBELN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC(c2ccccn2)CC1 ZINC000375380747 476806633 /nfs/dbraw/zinc/80/66/33/476806633.db2.gz QBWIEVDGLHPTGR-UHFFFAOYSA-N 0 2 327.340 2.715 10 5 EFBELN CC1(C)C(c2cc(=NC(=O)c3cc(O)ccc3[N+](=O)[O-])[nH][nH]2)C1(C)C ZINC000452166265 476863084 /nfs/dbraw/zinc/86/30/84/476863084.db2.gz SOELZFBCYLVLNM-UHFFFAOYSA-N 0 2 344.371 2.847 10 5 EFBELN CN1Cc2cc(NC(=O)c3cc(O)ccc3[N+](=O)[O-])ccc2NC1=O ZINC000376072118 477162442 /nfs/dbraw/zinc/16/24/42/477162442.db2.gz HEGLCGKWVNYZPF-UHFFFAOYSA-N 0 2 342.311 2.530 10 5 EFBELN Cc1ccc2c(c1)CN(C(=O)c1cc(O)ccc1[N+](=O)[O-])CCO2 ZINC000376405157 477318214 /nfs/dbraw/zinc/31/82/14/477318214.db2.gz CVKYLZFDDZLLDE-UHFFFAOYSA-N 0 2 328.324 2.644 10 5 EFBELN Cc1nc2c(s1)[C@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)CCC2 ZINC000376616109 477431419 /nfs/dbraw/zinc/43/14/19/477431419.db2.gz UWCGOWFFWLFEFJ-LLVKDONJSA-N 0 2 333.369 2.873 10 5 EFBELN COc1cc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)c(C)c(OC)c1 ZINC000436494473 477493803 /nfs/dbraw/zinc/49/38/03/477493803.db2.gz MLLQIHRWHOARRG-UHFFFAOYSA-N 0 2 332.312 2.878 10 5 EFBELN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCC(C2CCOCC2)CC1 ZINC000376827888 477520432 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COC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)c1ccc(F)cc1 ZINC000436977059 477656295 /nfs/dbraw/zinc/65/62/95/477656295.db2.gz CTYUIPSBENMYNQ-CQSZACIVSA-N 0 2 334.303 2.557 10 5 EFBELN CC(=O)N(C)c1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1 ZINC000426963547 477762645 /nfs/dbraw/zinc/76/26/45/477762645.db2.gz LZVQXDZSXFYVGF-UHFFFAOYSA-N 0 2 329.312 2.535 10 5 EFBELN O=C(Nc1cc([N+](=O)[O-])ccc1O)C1(C(F)(F)F)CCOCC1 ZINC000597443782 478354422 /nfs/dbraw/zinc/35/44/22/478354422.db2.gz XOIQZYCHLXBKKM-UHFFFAOYSA-N 0 2 334.250 2.598 10 5 EFBELN CC(C)(C)OC(=O)C1(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)CC=CC1 ZINC000597491802 478376788 /nfs/dbraw/zinc/37/67/88/478376788.db2.gz RMAUZCVCFDAASV-UHFFFAOYSA-N 0 2 348.355 2.917 10 5 EFBELN O=C(c1cccc(O)c1[N+](=O)[O-])N1CCCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000597606306 478430357 /nfs/dbraw/zinc/43/03/57/478430357.db2.gz WJGHVQUBHWVCJS-BPLDGKMQSA-N 0 2 348.399 2.846 10 5 EFBELN CCn1nc(C)cc1NS(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1C ZINC000600670268 478461212 /nfs/dbraw/zinc/46/12/12/478461212.db2.gz QHINDXZAQUGSQC-UHFFFAOYSA-N 0 2 338.389 2.537 10 5 EFBELN O=C(c1cccc(O)c1[N+](=O)[O-])N1CCC[C@H](c2ccccn2)C1 ZINC000597693519 478466978 /nfs/dbraw/zinc/46/69/78/478466978.db2.gz FIGMHXFPJMIPFO-LBPRGKRZSA-N 0 2 327.340 2.715 10 5 EFBELN O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1cncc2c1CCCC2 ZINC000594726823 478516042 /nfs/dbraw/zinc/51/60/42/478516042.db2.gz VBPSQYKTKWOKTQ-UHFFFAOYSA-N 0 2 333.369 2.669 10 5 EFBELN O=C(NC1CCC2(CC2(F)F)CC1)c1cccc(O)c1[N+](=O)[O-] ZINC000598317812 478764552 /nfs/dbraw/zinc/76/45/52/478764552.db2.gz OCRIJWMIDIUTAZ-UHFFFAOYSA-N 0 2 326.299 2.998 10 5 EFBELN CC(C)[C@@H](O)[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1ccccc1 ZINC000598345496 478778356 /nfs/dbraw/zinc/77/83/56/478778356.db2.gz DTXLFAIWHLSWGT-DLBZAZTESA-N 0 2 344.367 2.788 10 5 EFBELN CC(C)[C@@H](O)[C@@H](NC(=O)c1cc(O)ccc1[N+](=O)[O-])c1ccccc1 ZINC000598355612 478786277 /nfs/dbraw/zinc/78/62/77/478786277.db2.gz WZXUVCKGQIRHGQ-DLBZAZTESA-N 0 2 344.367 2.788 10 5 EFBELN CC(=O)Nc1cccc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])c1C ZINC000505224712 478859120 /nfs/dbraw/zinc/85/91/20/478859120.db2.gz OSHWYMZFFXWPSX-UHFFFAOYSA-N 0 2 329.312 2.820 10 5 EFBELN C[C@@H](COc1cccc(F)c1)NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000507441802 478922568 /nfs/dbraw/zinc/92/25/68/478922568.db2.gz PAPOZJRUAHVMCJ-JTQLQIEISA-N 0 2 334.303 2.637 10 5 EFBELN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC[C@@H](c2cccnc2)C1 ZINC000601654914 478930168 /nfs/dbraw/zinc/93/01/68/478930168.db2.gz CQWKCFUPXAQASI-CQSZACIVSA-N 0 2 327.340 2.715 10 5 EFBELN CCCn1nccc1NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1C ZINC000598715167 478988705 /nfs/dbraw/zinc/98/87/05/478988705.db2.gz WRLKSIBCAGISTA-UHFFFAOYSA-N 0 2 338.389 2.619 10 5 EFBELN Cc1cc(S(=O)(=O)NC(C)(C)C(F)(F)F)c([N+](=O)[O-])s1 ZINC000601959853 479095098 /nfs/dbraw/zinc/09/50/98/479095098.db2.gz MXSQBWTUQZCHQI-UHFFFAOYSA-N 0 2 332.325 2.584 10 5 EFBELN CCC(F)(F)CNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000599431849 479294379 /nfs/dbraw/zinc/29/43/79/479294379.db2.gz QSPCKAUIMRVJNX-UHFFFAOYSA-N 0 2 328.724 2.572 10 5 EFBELN CC[C@H](C)n1nc(Nc2nc(C)cc(C(=O)OC)c2[N+](=O)[O-])cc1C ZINC000557644837 479298632 /nfs/dbraw/zinc/29/86/32/479298632.db2.gz RHHPKLMGCAGBPM-JTQLQIEISA-N 0 2 347.375 2.726 10 5 EFBELN O=C(NCc1c(F)c(F)cc(F)c1F)c1cc(O)ccc1[N+](=O)[O-] ZINC000586794966 479355202 /nfs/dbraw/zinc/35/52/02/479355202.db2.gz GYHXUQXXPJHFGO-UHFFFAOYSA-N 0 2 344.220 2.787 10 5 EFBELN C[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000611407711 479370445 /nfs/dbraw/zinc/37/04/45/479370445.db2.gz MWFKGSQDIXYXHO-NVXWUHKLSA-N 0 2 343.427 2.738 10 5 EFBELN Cc1ccccc1CC1CN(C(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000611535624 479407668 /nfs/dbraw/zinc/40/76/68/479407668.db2.gz NFUBRWOFJLOFHD-UHFFFAOYSA-N 0 2 326.352 2.924 10 5 EFBELN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCC2(CC1)C(F)(F)C2(F)F ZINC000593788025 479460922 /nfs/dbraw/zinc/46/09/22/479460922.db2.gz WAIHCIVCQHLPAQ-UHFFFAOYSA-N 0 2 348.252 2.807 10 5 EFBELN C[C@@]1(c2ccccc2)CN(C(=O)c2cccc(O)c2[N+](=O)[O-])CCO1 ZINC000593792180 479462829 /nfs/dbraw/zinc/46/28/29/479462829.db2.gz JWMSWVREBTWBFU-SFHVURJKSA-N 0 2 342.351 2.688 10 5 EFBELN CC(C)c1nc([C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(O)c2)no1 ZINC000173753706 528308080 /nfs/dbraw/zinc/30/80/80/528308080.db2.gz QGQZJKJRRRXKBF-LBPRGKRZSA-N 0 2 346.343 2.784 10 5 EFBELN CC[C@@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1nccs1 ZINC000159957165 529194568 /nfs/dbraw/zinc/19/45/68/529194568.db2.gz BAUNECANZHDBRF-SECBINFHSA-N 0 2 345.377 2.620 10 5 EFBELN CCCn1nccc1NS(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1C ZINC000414380090 535643222 /nfs/dbraw/zinc/64/32/22/535643222.db2.gz KIOJVQARCRNSAH-UHFFFAOYSA-N 0 2 338.389 2.619 10 5 EFBELN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc2cc[nH]c2c1 ZINC000193473859 536956606 /nfs/dbraw/zinc/95/66/06/536956606.db2.gz XVOMXESFKWONIN-UHFFFAOYSA-N 0 2 347.352 2.886 10 5 EFBELN C[C@@H](C(=O)Nc1ccc(O)c([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 ZINC000762264137 576282961 /nfs/dbraw/zinc/28/29/61/576282961.db2.gz OLOMJFTYKIJFEL-SECBINFHSA-N 0 2 331.284 2.951 10 5 EFBELN Cc1nc2c(s1)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)CCC2 ZINC000773729954 581458798 /nfs/dbraw/zinc/45/87/98/581458798.db2.gz CJVDFMZBXKMPTE-LBPRGKRZSA-N 0 2 333.369 2.873 10 5 EFBELN CCOP(=O)(CN(C)C(=O)c1ccc([N+](=O)[O-])cc1O)OCC ZINC000843920512 1278661355 /nfs/dbraw/zinc/66/13/55/1278661355.db2.gz UTKLEPDLUHRIKC-UHFFFAOYSA-N 0 2 346.276 2.596 10 5 EFBELN CC[C@H](NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(F)(F)F ZINC000786891318 1275568859 /nfs/dbraw/zinc/56/88/59/1275568859.db2.gz OUOQVHDRDICZTN-VIFPVBQESA-N 0 2 346.714 2.867 10 5 EFBELN CC(=O)N(C)c1ccc(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)cc1 ZINC000787515840 1275790831 /nfs/dbraw/zinc/79/08/31/1275790831.db2.gz IEYNQNFLIRKGHX-UHFFFAOYSA-N 0 2 329.312 2.535 10 5 EFBELN C[C@H](C[C@H](O)c1ccccc1)NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000788305942 1276121240 /nfs/dbraw/zinc/12/12/40/1276121240.db2.gz SNFGMNFFDWWWSH-BZNIZROVSA-N 0 2 330.340 2.542 10 5 EFBELN C[C@H](C[C@@H](O)c1ccc(F)cc1)NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000788309065 1276122928 /nfs/dbraw/zinc/12/29/28/1276122928.db2.gz RJVIQNPQOTXLBW-QLJPJBMISA-N 0 2 348.330 2.682 10 5 EFBELN O=C(N[C@@H]1c2ccccc2OC[C@@H]1F)c1ccc([N+](=O)[O-])cc1O ZINC001177745553 1288531623 /nfs/dbraw/zinc/53/16/23/1288531623.db2.gz UHVBTVBUXPUAKL-SWLSCSKDSA-N 0 2 332.287 2.502 10 5 EFBELN O=[N+]([O-])c1ccc(NS(=O)(=O)c2ccoc2)cc1Br ZINC000795566827 1290339206 /nfs/dbraw/zinc/33/92/06/1290339206.db2.gz MAFSEMVMBWIIHH-UHFFFAOYSA-N 0 2 347.146 2.751 10 5 EFBELN CN(C)c1ccc(CCC(=O)Nc2ccc(O)c([N+](=O)[O-])c2)cc1 ZINC000776203507 1297007749 /nfs/dbraw/zinc/00/77/49/1297007749.db2.gz AKEKBHVNZMIIOZ-UHFFFAOYSA-N 0 2 329.356 2.938 10 5 EFBELN CC(C)(C)OC(=O)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c2ccccc21 ZINC000855763778 1301098502 /nfs/dbraw/zinc/09/85/02/1301098502.db2.gz RIUNVYMVYITGRV-UMVBOHGHSA-N 0 2 346.383 2.514 10 5 EFBELN O=C(N[C@@H]1Cc2ccc(Cl)cc2C1)c1ccc([N+](=O)[O-])cc1O ZINC000800580117 1308139853 /nfs/dbraw/zinc/13/98/53/1308139853.db2.gz ZFWQCDVLHIUBND-GFCCVEGCSA-N 0 2 332.743 2.851 10 5 EFBELN CO[C@]1(C(=O)[O-])CC[N@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000901543150 1310639858 /nfs/dbraw/zinc/63/98/58/1310639858.db2.gz SQMYBJQUECXAID-CYBMUJFWSA-N 0 2 349.170 2.577 10 5 EFBELN CO[C@]1(C(=O)[O-])CC[N@@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000901543150 1310639864 /nfs/dbraw/zinc/63/98/64/1310639864.db2.gz SQMYBJQUECXAID-CYBMUJFWSA-N 0 2 349.170 2.577 10 5 EFBELN O=C(Nc1c(-c2cccc(F)c2)n[nH]c1C1CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001161445762 1311891438 /nfs/dbraw/zinc/89/14/38/1311891438.db2.gz COYRRBUBHYFDNG-VXGBXAGGSA-N 0 2 330.319 2.697 10 5 EFBELN C[S@@](=N)(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)cc1 ZINC001161516895 1311905580 /nfs/dbraw/zinc/90/55/80/1311905580.db2.gz JFAMHWQSTVGBBL-HSZRJFAPSA-N 0 2 335.341 2.588 10 5 EFBELN COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc2cc[nH]c2c1 ZINC001321541714 1329394233 /nfs/dbraw/zinc/39/42/33/1329394233.db2.gz 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CC(C)[C@@H](O)[C@@H](NC(=O)c1cccc(O)c1[N+](=O)[O-])c1ccccc1 ZINC000598355515 478785626 /nfs/dbraw/zinc/78/56/26/478785626.db2.gz VSTOIWRYIWTPMB-DOTOQJQBSA-N 0 2 344.367 2.788 10 5 EFBELN CC(C)[C@H](O)[C@H](NC(=O)c1cccc(O)c1[N+](=O)[O-])c1ccccc1 ZINC000598355518 478786065 /nfs/dbraw/zinc/78/60/65/478786065.db2.gz VSTOIWRYIWTPMB-WBVHZDCISA-N 0 2 344.367 2.788 10 5 EFBELN CN(c1ccccc1)[C@H]1CCN(C(=O)c2cccc(O)c2[N+](=O)[O-])C1 ZINC000598379802 478796101 /nfs/dbraw/zinc/79/61/01/478796101.db2.gz XFHAGVLNKNPWBG-AWEZNQCLSA-N 0 2 341.367 2.651 10 5 EFBELN Cc1cc(S(=O)(=O)N[C@@H](C2CC2)C(F)(F)F)c([N+](=O)[O-])s1 ZINC000601417331 478827369 /nfs/dbraw/zinc/82/73/69/478827369.db2.gz PCOGSLQOQXEFJA-QMMMGPOBSA-N 0 2 344.336 2.584 10 5 EFBELN C[C@H](COc1cccc(F)c1)NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000507441805 478922386 /nfs/dbraw/zinc/92/23/86/478922386.db2.gz PAPOZJRUAHVMCJ-SNVBAGLBSA-N 0 2 334.303 2.637 10 5 EFBELN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCC(Cc2nccs2)CC1 ZINC000601743418 478980553 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O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1ccc(F)s1 ZINC001654291853 1101702203 /nfs/dbraw/zinc/70/22/03/1101702203.db2.gz HOGVOFBMNFNZRU-UHFFFAOYSA-N 0 2 333.304 2.833 10 5 EFBELN CC(C)(NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(F)(F)F ZINC000451027154 312799998 /nfs/dbraw/zinc/79/99/98/312799998.db2.gz ACSDSLZOHRMTRM-UHFFFAOYSA-N 0 2 346.714 2.867 10 5 EFBELN O=C(N[C@H]1CCOc2ccc(F)cc21)c1cc(O)ccc1[N+](=O)[O-] ZINC000367207595 303980136 /nfs/dbraw/zinc/98/01/36/303980136.db2.gz YHHGMDQBKSAMBB-ZDUSSCGKSA-N 0 2 332.287 2.693 10 5 EFBELN O=C(Nc1cc2c(cc1F)NC(=O)CC2)c1cccc(O)c1[N+](=O)[O-] ZINC000339342659 303999765 /nfs/dbraw/zinc/99/97/65/303999765.db2.gz GHDXQOQSSHUWRF-UHFFFAOYSA-N 0 2 345.286 2.577 10 5 EFBELN C[C@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000439140506 299247310 /nfs/dbraw/zinc/24/73/10/299247310.db2.gz JYSLHPACJNLKIU-PSVSLLHZSA-N 0 2 342.351 2.983 10 5 EFBELN C[C@@H](NC(=O)c1cccc(O)c1[N+](=O)[O-])[C@H]1OCCc2sccc21 ZINC000346780409 296105805 /nfs/dbraw/zinc/10/58/05/296105805.db2.gz KAPDSBHXKIWQJN-RFAUZJTJSA-N 0 2 348.380 2.794 10 5 EFBELN COc1ccc(O[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1 ZINC000021028326 212202550 /nfs/dbraw/zinc/20/25/50/212202550.db2.gz XNTJSOYBTBMETM-JTQLQIEISA-N 0 2 332.312 2.715 10 5 EFBELN CCCc1cc(NS(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)[nH]n1 ZINC000414443565 244164272 /nfs/dbraw/zinc/16/42/72/244164272.db2.gz NRDGTTQLAKOQED-UHFFFAOYSA-N 0 2 338.389 2.688 10 5 EFBELN Cc1cc(S(=O)(=O)Nc2ccc(C3CC3)nn2)c(C)cc1[N+](=O)[O-] ZINC000414448490 244166806 /nfs/dbraw/zinc/16/68/06/244166806.db2.gz AKWHOKDPLNEETR-UHFFFAOYSA-N 0 2 348.384 2.680 10 5 EFBELN COC(=O)c1ccc([N+](=O)[O-])c(N[C@H]2Cc3cccc(O)c3C2)c1 ZINC000428667529 247519320 /nfs/dbraw/zinc/51/93/20/247519320.db2.gz NGIBGGNSOKYJLV-LBPRGKRZSA-N 0 2 328.324 2.666 10 5 EFBELN Cc1cnc(NS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)o1 ZINC000443352946 250188491 /nfs/dbraw/zinc/18/84/91/250188491.db2.gz FJDYYYBPXLVCKU-UHFFFAOYSA-N 0 2 331.737 2.654 10 5 EFBELN COc1ccccc1NS(=O)(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000009467931 211087770 /nfs/dbraw/zinc/08/77/70/211087770.db2.gz WOCYSCVSWXBADL-UHFFFAOYSA-N 0 2 326.305 2.543 10 5 EFBELN COc1ccccc1O[C@H](C)CNC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000343144546 141944364 /nfs/dbraw/zinc/94/43/64/141944364.db2.gz AIRGTZGGXXZAPD-LLVKDONJSA-N 0 2 346.339 2.506 10 5 EFBELN O=C(Nc1ccc(N2CCCC2)nc1)c1cc(O)ccc1[N+](=O)[O-] ZINC000346015474 142133709 /nfs/dbraw/zinc/13/37/09/142133709.db2.gz LMJDMSIUGNKXNZ-UHFFFAOYSA-N 0 2 328.328 2.548 10 5 EFBELN C[C@H](CNC(=O)c1cc(O)ccc1[N+](=O)[O-])N(C)c1ccccc1 ZINC000346130993 142151418 /nfs/dbraw/zinc/15/14/18/142151418.db2.gz AFMNLUKLSUVKFS-GFCCVEGCSA-N 0 2 329.356 2.555 10 5 EFBELN CN(CCOCc1ccccc1)C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000343798937 145297814 /nfs/dbraw/zinc/29/78/14/145297814.db2.gz ZCQJDYPNTPXJRH-UHFFFAOYSA-N 0 2 330.340 2.589 10 5 EFBELN O=C(Nc1ccc(-c2ncon2)cc1)c1cc(O)ccc1[N+](=O)[O-] ZINC000351816727 146209334 /nfs/dbraw/zinc/20/93/34/146209334.db2.gz SFKXGFHNKRALHO-UHFFFAOYSA-N 0 2 326.268 2.603 10 5 EFBELN C[C@H](NC(=O)c1cc(O)ccc1[N+](=O)[O-])[C@H]1OCCc2sccc21 ZINC000355937225 147103462 /nfs/dbraw/zinc/10/34/62/147103462.db2.gz HTYYOFKIEOGRNO-BJOHPYRUSA-N 0 2 348.380 2.794 10 5 EFBELN CCOCCOc1ccccc1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000356326918 147213336 /nfs/dbraw/zinc/21/33/36/147213336.db2.gz ZWCWDWZJWMNNAQ-UHFFFAOYSA-N 0 2 346.339 2.968 10 5 EFBELN COc1cc(F)c(NC(=O)c2cc(O)ccc2[N+](=O)[O-])cc1OC ZINC000359720617 148170892 /nfs/dbraw/zinc/17/08/92/148170892.db2.gz CNLJSLTTYZMOSB-UHFFFAOYSA-N 0 2 336.275 2.709 10 5 EFBELN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cnc3c(c2)CCCC3)s1 ZINC000360032732 148255275 /nfs/dbraw/zinc/25/52/75/148255275.db2.gz YBORVGORMUQESD-UHFFFAOYSA-N 0 2 339.398 2.731 10 5 EFBELN C[C@H]1CN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C[C@@H](c2ccsc2)O1 ZINC000368601450 150160312 /nfs/dbraw/zinc/16/03/12/150160312.db2.gz GQMRXZYWQFKJMK-BONVTDFDSA-N 0 2 348.380 2.964 10 5 EFBELN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCc2c(F)ccc(F)c2C1 ZINC000353997403 304502363 /nfs/dbraw/zinc/50/23/63/304502363.db2.gz LNCJCTFTIAEAFD-UHFFFAOYSA-N 0 2 334.278 2.777 10 5 EFBELN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)c1ccncc1C(F)(F)F ZINC000193131477 265319331 /nfs/dbraw/zinc/31/93/31/265319331.db2.gz HRPIDOFUDMTCPS-UHFFFAOYSA-N 0 2 327.218 2.967 10 5 EFBELN O=C(NC[C@@H]1CCN(c2ccccc2)C1)c1cccc(O)c1[N+](=O)[O-] ZINC000280752305 273362950 /nfs/dbraw/zinc/36/29/50/273362950.db2.gz KSODLXVUTCQZBG-ZDUSSCGKSA-N 0 2 341.367 2.557 10 5 EFBELN C[C@H]1CN(C(=O)c2cccc(O)c2[N+](=O)[O-])[C@@H](c2ccccc2)CO1 ZINC000280755371 273363286 /nfs/dbraw/zinc/36/32/86/273363286.db2.gz AJINJSQDWWSKQZ-SWLSCSKDSA-N 0 2 342.351 2.903 10 5 EFBELN CC(C)c1nc(CCNC(=O)c2cccc(O)c2[N+](=O)[O-])cs1 ZINC000280798297 273368001 /nfs/dbraw/zinc/36/80/01/273368001.db2.gz PCOJINQFBAALBN-UHFFFAOYSA-N 0 2 335.385 2.853 10 5 EFBELN C[C@@H]1CO[C@H](c2ccccc2)CN1C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000280880119 273377031 /nfs/dbraw/zinc/37/70/31/273377031.db2.gz FWQMHWMCTDMHHN-WBMJQRKESA-N 0 2 342.351 2.903 10 5 EFBELN CCc1ccc([C@H](COC)NC(=O)c2cccc(O)c2[N+](=O)[O-])o1 ZINC000281047771 273395058 /nfs/dbraw/zinc/39/50/58/273395058.db2.gz XDUGHQBEERIJHA-LBPRGKRZSA-N 0 2 334.328 2.573 10 5 EFBELN C[C@H](O)C[C@@H](CNC(=O)c1cccc(O)c1[N+](=O)[O-])c1ccccc1 ZINC000281124155 273403118 /nfs/dbraw/zinc/40/31/18/273403118.db2.gz XVQYUVPTCJRBJO-JSGCOSHPSA-N 0 2 344.367 2.585 10 5 EFBELN Cc1cc(S(=O)(=O)Nc2cn(C)nc2C(C)C)ccc1[N+](=O)[O-] ZINC000281201266 273410561 /nfs/dbraw/zinc/41/05/61/273410561.db2.gz RZLPYYUFIIWILQ-UHFFFAOYSA-N 0 2 338.389 2.561 10 5 EFBELN O=C(c1cccc(O)c1[N+](=O)[O-])N1CCO[C@H](c2cccs2)C1 ZINC000281304958 273421723 /nfs/dbraw/zinc/42/17/23/273421723.db2.gz RRFHSDLMJRLIJK-LBPRGKRZSA-N 0 2 334.353 2.576 10 5 EFBELN O=C(c1cccc(O)c1[N+](=O)[O-])N1CCC[C@@H]1[C@@H]1CCCCC1=O ZINC000281384507 273429515 /nfs/dbraw/zinc/42/95/15/273429515.db2.gz XLTJWHBMKOKANO-WCQYABFASA-N 0 2 332.356 2.664 10 5 EFBELN C[C@H]1CN(C)c2ccccc2CN1C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000343776514 300227197 /nfs/dbraw/zinc/22/71/97/300227197.db2.gz ZBRISANKBAAZJH-LBPRGKRZSA-N 0 2 341.367 2.781 10 5 EFBELN CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)c1c(C)nn(C)c1C ZINC000436982223 312606126 /nfs/dbraw/zinc/60/61/26/312606126.db2.gz SMWKPBHDGRNACQ-CYBMUJFWSA-N 0 2 332.360 2.532 10 5 EFBELN CCc1noc(C)c1NS(=O)(=O)c1ccc(CC)c([N+](=O)[O-])c1 ZINC000567870331 319220412 /nfs/dbraw/zinc/22/04/12/319220412.db2.gz ZWFOVTNQKPFUBZ-UHFFFAOYSA-N 0 2 339.373 2.817 10 5 EFBELN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(F)cc1 ZINC000007708174 471632294 /nfs/dbraw/zinc/63/22/94/471632294.db2.gz BYKDCIAQCJJKJJ-UHFFFAOYSA-N 0 2 326.305 2.543 10 5 EFBELN COc1ccc([C@H](C)NC(=O)c2ccc([N+](=O)[O-])c(O)c2)cc1F ZINC000014022134 471849123 /nfs/dbraw/zinc/84/91/23/471849123.db2.gz VXEOEPJQLVLDAB-VIFPVBQESA-N 0 2 334.303 2.939 10 5 EFBELN COc1ccc(OC)c([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])c(O)c2)c1 ZINC000018204778 471972456 /nfs/dbraw/zinc/97/24/56/471972456.db2.gz MQFIMAUEAIDTOC-SNVBAGLBSA-N 0 2 346.339 2.809 10 5 EFBELN Cc1ccc(S(=O)(=O)Nc2cccc3n[nH]cc32)c([N+](=O)[O-])c1 ZINC000069630949 472386580 /nfs/dbraw/zinc/38/65/80/472386580.db2.gz VLHQJGZDXHDQCH-UHFFFAOYSA-N 0 2 332.341 2.580 10 5 EFBELN O=C(Nc1ncc(Cc2ccc(Cl)cc2)s1)[C@@H]1C[C@@H]1[N+](=O)[O-] ZINC000032932221 472483095 /nfs/dbraw/zinc/48/30/95/472483095.db2.gz GRXVWYZOACITLB-NEPJUHHUSA-N 0 2 337.788 2.991 10 5 EFBELN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nc(C3CC3)cs2)s1 ZINC000098117638 472521054 /nfs/dbraw/zinc/52/10/54/472521054.db2.gz ZGXYTLJKZBBUKF-UHFFFAOYSA-N 0 2 331.400 2.791 10 5 EFBELN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(F)c(C)c1 ZINC000103060704 472607921 /nfs/dbraw/zinc/60/79/21/472607921.db2.gz JWWXEDFIUIXESV-UHFFFAOYSA-N 0 2 340.332 2.852 10 5 EFBELN O=C(CCc1nnc(C2CCCC2)o1)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000155968123 472647262 /nfs/dbraw/zinc/64/72/62/472647262.db2.gz ITVOEDJBWACHDJ-UHFFFAOYSA-N 0 2 346.343 2.912 10 5 EFBELN O=C(Nc1nc(-c2c[nH]c3ccccc32)cs1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000047243130 472675158 /nfs/dbraw/zinc/67/51/58/472675158.db2.gz GMUTYZBQMALXRT-NOZJJQNGSA-N 0 2 328.353 2.895 10 5 EFBELN O=C(Nc1ncccc1Br)c1ccc([N+](=O)[O-])c(O)c1 ZINC000075092906 473122101 /nfs/dbraw/zinc/12/21/01/473122101.db2.gz KIHHUBJYWWFDEX-UHFFFAOYSA-N 0 2 338.117 2.710 10 5 EFBELN CC[C@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1c(C)nn(C)c1C ZINC000075196241 473147700 /nfs/dbraw/zinc/14/77/00/473147700.db2.gz LMNVDTQTZOSARF-LBPRGKRZSA-N 0 2 332.360 2.532 10 5 EFBELN Cc1n[nH]c2cc(NS(=O)(=O)c3c(C)cccc3[N+](=O)[O-])ccc12 ZINC000093909339 473162139 /nfs/dbraw/zinc/16/21/39/473162139.db2.gz QLBOMXSRIFKFRT-UHFFFAOYSA-N 0 2 346.368 2.889 10 5 EFBELN Cc1[nH]nc2cc(NS(=O)(=O)c3c(C)cccc3[N+](=O)[O-])ccc12 ZINC000093909339 473162146 /nfs/dbraw/zinc/16/21/46/473162146.db2.gz QLBOMXSRIFKFRT-UHFFFAOYSA-N 0 2 346.368 2.889 10 5 EFBELN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)c1cncn1-c1ccc(F)cc1 ZINC000186025032 473573523 /nfs/dbraw/zinc/57/35/23/473573523.db2.gz TZMKDHDUZDLZTP-UHFFFAOYSA-N 0 2 342.286 2.878 10 5 EFBELN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cc(C2CC2)nc(C)n1 ZINC000127498565 473619777 /nfs/dbraw/zinc/61/97/77/473619777.db2.gz LMUWVDUBAWHVQQ-UHFFFAOYSA-N 0 2 348.384 2.680 10 5 EFBELN Cc1csc(C2(NC(=O)c3ccc([N+](=O)[O-])cc3O)CCC2)n1 ZINC000274748423 473942632 /nfs/dbraw/zinc/94/26/32/473942632.db2.gz UUTHWQGPMURJDI-UHFFFAOYSA-N 0 2 333.369 2.875 10 5 EFBELN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC[C@H]1C[C@@H](O)c1ccco1 ZINC000188108018 473984573 /nfs/dbraw/zinc/98/45/73/473984573.db2.gz UMIKGDVQARZTQQ-XHDPSFHLSA-N 0 2 346.339 2.622 10 5 EFBELN COc1ccccc1CCN(C)C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000181983265 474074518 /nfs/dbraw/zinc/07/45/18/474074518.db2.gz ZWLAHQCGGJKLMH-UHFFFAOYSA-N 0 2 330.340 2.624 10 5 EFBELN CN(Cc1nc2c(s1)CCCC2)C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000182075840 474094368 /nfs/dbraw/zinc/09/43/68/474094368.db2.gz CAXZTLMLWKMDGL-UHFFFAOYSA-N 0 2 347.396 2.908 10 5 EFBELN C[C@@H](C[C@@H](O)c1cccs1)NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000281151023 475091129 /nfs/dbraw/zinc/09/11/29/475091129.db2.gz HMIRHCOBPOMJPX-JOYOIKCWSA-N 0 2 336.369 2.604 10 5 EFBELN CCNC(=O)c1ccc(C)c(NC(=O)c2cccc(O)c2[N+](=O)[O-])c1 ZINC000339266809 475100176 /nfs/dbraw/zinc/10/01/76/475100176.db2.gz XPNQKKLMSLQZGA-UHFFFAOYSA-N 0 2 343.339 2.611 10 5 EFBELN O=C(Nc1ccc(N2CCCC2=O)cc1)c1cc(O)ccc1[N+](=O)[O-] ZINC000345606811 475300258 /nfs/dbraw/zinc/30/02/58/475300258.db2.gz CIBHLVQBRSGWKN-UHFFFAOYSA-N 0 2 341.323 2.680 10 5 EFBELN CO[C@H](C)c1nsc(NCCc2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000337786423 475322705 /nfs/dbraw/zinc/32/27/05/475322705.db2.gz BOJSGUNYIYSGRQ-MRVPVSSYSA-N 0 2 342.808 2.884 10 5 EFBELN O=C(NCc1ccccc1OC(F)F)c1cccc(O)c1[N+](=O)[O-] ZINC000358013478 475336775 /nfs/dbraw/zinc/33/67/75/475336775.db2.gz AZDGZKUHVJVXOX-UHFFFAOYSA-N 0 2 338.266 2.832 10 5 EFBELN O=C(N[C@H]1CCO[C@@H](c2ccccc2)C1)c1cc(O)ccc1[N+](=O)[O-] ZINC000354694428 475343003 /nfs/dbraw/zinc/34/30/03/475343003.db2.gz KHVNVNDRQAYGBM-SUMWQHHRSA-N 0 2 342.351 2.951 10 5 EFBELN O=C(NCc1nc(-c2cccs2)c[nH]1)c1cc(O)ccc1[N+](=O)[O-] ZINC000354758720 475387544 /nfs/dbraw/zinc/38/75/44/475387544.db2.gz DTBTXOLUJCXKCF-UHFFFAOYSA-N 0 2 344.352 2.682 10 5 EFBELN COC(=O)c1ccc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])cc1C ZINC000352590098 475441669 /nfs/dbraw/zinc/44/16/69/475441669.db2.gz LYQNJBHQAQUDMO-UHFFFAOYSA-N 0 2 330.296 2.648 10 5 EFBELN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)c1cc(=O)[nH]c2ccc(F)cc21 ZINC000361650540 475630859 /nfs/dbraw/zinc/63/08/59/475630859.db2.gz BKGJBQDZTSOVEJ-UHFFFAOYSA-N 0 2 343.270 2.946 10 5 EFBELN COc1ccc(NC(C)=O)c(NC(=O)c2cccc(O)c2[N+](=O)[O-])c1 ZINC000343156347 475815582 /nfs/dbraw/zinc/81/55/82/475815582.db2.gz XEFCLBCKDMRAAE-UHFFFAOYSA-N 0 2 345.311 2.520 10 5 EFBELN C[C@@H](CCc1ccc(O)cc1)NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000346815705 475881840 /nfs/dbraw/zinc/88/18/40/475881840.db2.gz DPJUVLZQXPTIHH-NSHDSACASA-N 0 2 330.340 2.757 10 5 EFBELN CCOC(=O)Cc1cccc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])c1 ZINC000353363671 475902299 /nfs/dbraw/zinc/90/22/99/475902299.db2.gz KLYHSVPHVFSUCZ-UHFFFAOYSA-N 0 2 344.323 2.658 10 5 EFBELN COC(=O)c1ccc(C)c(NC(=O)c2cccc(O)c2[N+](=O)[O-])c1 ZINC000355478874 475971980 /nfs/dbraw/zinc/97/19/80/475971980.db2.gz KKQFGKHZGYELRB-UHFFFAOYSA-N 0 2 330.296 2.648 10 5 EFBELN Cc1cccc(O[C@H](C)CNC(=O)c2cc(O)ccc2[N+](=O)[O-])c1 ZINC000353491964 476016525 /nfs/dbraw/zinc/01/65/25/476016525.db2.gz LXIMDPJXLMDHDL-GFCCVEGCSA-N 0 2 330.340 2.806 10 5 EFBELN O=C(NCc1coc(-c2ccccc2)n1)c1cc(O)ccc1[N+](=O)[O-] ZINC000353510714 476031640 /nfs/dbraw/zinc/03/16/40/476031640.db2.gz SCHZMUGHMXLUDB-UHFFFAOYSA-N 0 2 339.307 2.885 10 5 EFBELN C[C@H](NC(=O)c1cccc(O)c1[N+](=O)[O-])c1nc2ccccc2n1C ZINC000343443822 476067967 /nfs/dbraw/zinc/06/79/67/476067967.db2.gz CIGACIHTZFYSQF-JTQLQIEISA-N 0 2 340.339 2.678 10 5 EFBELN COc1ccc(OCc2noc(-c3ccc([N+](=O)[O-])c(O)c3)n2)cc1 ZINC000350596227 476259931 /nfs/dbraw/zinc/25/99/31/476259931.db2.gz NSZNKLIWTPDTDK-UHFFFAOYSA-N 0 2 343.295 2.938 10 5 EFBELN 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COc1ccc([C@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2O)cc1F ZINC000436673798 477554245 /nfs/dbraw/zinc/55/42/45/477554245.db2.gz MLZABDNQUGRQRK-VIFPVBQESA-N 0 2 334.303 2.939 10 5 EFBELN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCO[C@@H](C2CCCCC2)C1 ZINC000367537359 477563088 /nfs/dbraw/zinc/56/30/88/477563088.db2.gz FDAZMGJNTSFWRP-MRXNPFEDSA-N 0 2 334.372 2.722 10 5 EFBELN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)c1ccc2c(c1)OCO2 ZINC000436860938 477617364 /nfs/dbraw/zinc/61/73/64/477617364.db2.gz RFSHSZALAOLNSV-VIFPVBQESA-N 0 2 330.296 2.520 10 5 EFBELN COc1ccccc1[C@@]1(C)C[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436989083 477658195 /nfs/dbraw/zinc/65/81/95/477658195.db2.gz LPOSALWZVIIDHC-SJLPKXTDSA-N 0 2 342.351 2.769 10 5 EFBELN CC(=O)N(C)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436992883 477660019 /nfs/dbraw/zinc/66/00/19/477660019.db2.gz XIHVUKXUFCNMJC-UHFFFAOYSA-N 0 2 329.312 2.535 10 5 EFBELN CCOc1cccc(CCNC(=O)c2ccc([N+](=O)[O-])cc2O)c1 ZINC000436994687 477660753 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CN(CCOc1ccccc1F)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000345614710 475307088 /nfs/dbraw/zinc/30/70/88/475307088.db2.gz SWLHNRXZLINTOR-UHFFFAOYSA-N 0 2 334.303 2.591 10 5 EFBELN Cn1c(NC(=O)c2cc(O)ccc2[N+](=O)[O-])nc2ccc(F)cc21 ZINC000354703140 475347193 /nfs/dbraw/zinc/34/71/93/475347193.db2.gz VFSASPRIMDTVHH-UHFFFAOYSA-N 0 2 330.275 2.579 10 5 EFBELN CC[C@H](C)Oc1cc(CNC(=O)c2cc(O)ccc2[N+](=O)[O-])ccn1 ZINC000354725099 475361071 /nfs/dbraw/zinc/36/10/71/475361071.db2.gz SUESAJCNFURHAQ-NSHDSACASA-N 0 2 345.355 2.803 10 5 EFBELN COC(=O)CCc1ccc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])cc1 ZINC000352576585 475428829 /nfs/dbraw/zinc/42/88/29/475428829.db2.gz KAZCJOLPVSGKGY-UHFFFAOYSA-N 0 2 344.323 2.658 10 5 EFBELN COC(=O)CC1(CC(=O)Nc2cc([N+](=O)[O-])ccc2O)CCCC1 ZINC000345805932 475466133 /nfs/dbraw/zinc/46/61/33/475466133.db2.gz DEAJNHATXHDSCX-UHFFFAOYSA-N 0 2 336.344 2.753 10 5 EFBELN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)c1ccn(Cc2ccccc2)n1 ZINC000361654954 475634159 /nfs/dbraw/zinc/63/41/59/475634159.db2.gz NDYGZGKGRVUHBA-UHFFFAOYSA-N 0 2 338.323 2.798 10 5 EFBELN O=C(CCC(=O)c1ccc(Cl)cn1)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000361659939 475639864 /nfs/dbraw/zinc/63/98/64/475639864.db2.gz IVBXMDRNPKLVND-UHFFFAOYSA-N 0 2 349.730 2.950 10 5 EFBELN O=C(Nc1cccc(NC(=O)C2CC2)c1)c1cccc(O)c1[N+](=O)[O-] ZINC000358495063 475723320 /nfs/dbraw/zinc/72/33/20/475723320.db2.gz GZJRKMVCWKNSNZ-UHFFFAOYSA-N 0 2 341.323 2.901 10 5 EFBELN O=C(Nc1ccc(-n2cccn2)c(F)c1)c1cccc(O)c1[N+](=O)[O-] ZINC000343076567 475746358 /nfs/dbraw/zinc/74/63/58/475746358.db2.gz GCRQQUHJKHDIJQ-UHFFFAOYSA-N 0 2 342.286 2.878 10 5 EFBELN O=C(NCCCc1nc2ccccc2[nH]1)c1cccc(O)c1[N+](=O)[O-] ZINC000343260181 475898574 /nfs/dbraw/zinc/89/85/74/475898574.db2.gz ARPWMKGFZNAPLF-UHFFFAOYSA-N 0 2 340.339 2.539 10 5 EFBELN CN(C)c1nc2cc(NC(=O)c3cc(O)ccc3[N+](=O)[O-])ccc2o1 ZINC000346856757 475917660 /nfs/dbraw/zinc/91/76/60/475917660.db2.gz WJZNLIHTFDRUTI-UHFFFAOYSA-N 0 2 342.311 2.760 10 5 EFBELN COc1ccc(CCC(=O)Nc2ccc(O)c([N+](=O)[O-])c2)cc1OC 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O=C(NCCc1c[nH]c2ccc(F)cc12)c1cc([N+](=O)[O-])ccc1O ZINC000436668923 477552313 /nfs/dbraw/zinc/55/23/13/477552313.db2.gz FRDINNJEOOIECH-UHFFFAOYSA-N 0 2 343.314 2.893 10 5 EFBELN COC(=O)c1c(C)c(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)ccc1F ZINC000436796919 477592899 /nfs/dbraw/zinc/59/28/99/477592899.db2.gz XYNVWRWOOWPNOT-UHFFFAOYSA-N 0 2 348.286 2.787 10 5 EFBELN CC(C)C(=O)Nc1cc(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)ccn1 ZINC000436837005 477607349 /nfs/dbraw/zinc/60/73/49/477607349.db2.gz IMNQAZUQMOVAOT-UHFFFAOYSA-N 0 2 344.327 2.542 10 5 EFBELN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCO[C@@H](c2cccs2)C1 ZINC000377071882 477627988 /nfs/dbraw/zinc/62/79/88/477627988.db2.gz GGEALHBPVNOUCA-CYBMUJFWSA-N 0 2 334.353 2.576 10 5 EFBELN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCO[C@@H](c2ccsc2)C1 ZINC000367696735 477641337 /nfs/dbraw/zinc/64/13/37/477641337.db2.gz JFGWJAPLSPKSAF-CQSZACIVSA-N 0 2 334.353 2.576 10 5 EFBELN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000377101815 477645294 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O=C(N[C@@H](C[C@H]1CCCO1)C(F)(F)F)c1cccc(O)c1[N+](=O)[O-] ZINC000594411029 478370819 /nfs/dbraw/zinc/37/08/19/478370819.db2.gz GGOGYWAWSSCJBY-KCJUWKMLSA-N 0 2 348.277 2.530 10 5 EFBELN CCCOc1cncc(NS(=O)(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000600670426 478460269 /nfs/dbraw/zinc/46/02/69/478460269.db2.gz UCHUTTIZJKWRSA-UHFFFAOYSA-N 0 2 343.386 2.641 10 5 EFBELN CCn1nc(C)cc1NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1C ZINC000600670026 478460557 /nfs/dbraw/zinc/46/05/57/478460557.db2.gz IPIGWEBSALTPSZ-UHFFFAOYSA-N 0 2 338.389 2.537 10 5 EFBELN CCn1nc(C)cc1NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000600670439 478460969 /nfs/dbraw/zinc/46/09/69/478460969.db2.gz URVFHMWRKXPZPB-UHFFFAOYSA-N 0 2 344.780 2.574 10 5 EFBELN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCC[C@@H](c2ccccn2)C1 ZINC000597690949 478466095 /nfs/dbraw/zinc/46/60/95/478466095.db2.gz HEMNZWDUYRITDB-GFCCVEGCSA-N 0 2 327.340 2.715 10 5 EFBELN O=C([O-])[C@@H]1C[C@H](C(F)(F)F)C[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000594733863 478520694 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Cc1nc2sccn2c1CN(C)C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000343737098 145282635 /nfs/dbraw/zinc/28/26/35/145282635.db2.gz IDCZJRAHUWDLJW-UHFFFAOYSA-N 0 2 346.368 2.590 10 5 EFBELN C[C@@H](CC(=O)c1ccccc1)NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000343797984 145297597 /nfs/dbraw/zinc/29/75/97/145297597.db2.gz XIWXSSQOBMSLKN-NSHDSACASA-N 0 2 328.324 2.692 10 5 EFBELN CCC1(CC)[C@H](NC(=O)c2cccc(O)c2[N+](=O)[O-])[C@@H](C)[C@H]1OC ZINC000343853433 145308919 /nfs/dbraw/zinc/30/89/19/145308919.db2.gz ONSXTDNTJJCVMT-VCTAVGKDSA-N 0 2 336.388 2.870 10 5 EFBELN O=C(NCCOc1ccc(Cl)cc1)c1cc(O)ccc1[N+](=O)[O-] ZINC000351504574 146133141 /nfs/dbraw/zinc/13/31/41/146133141.db2.gz BGTLORHNEOKNOU-UHFFFAOYSA-N 0 2 336.731 2.763 10 5 EFBELN O=C(NCCc1ccc2ccccc2n1)c1cc(O)ccc1[N+](=O)[O-] ZINC000351589810 146153338 /nfs/dbraw/zinc/15/33/38/146153338.db2.gz OWLDHBMAYMQZLT-UHFFFAOYSA-N 0 2 337.335 2.821 10 5 EFBELN O=C(NCCc1nc2c(s1)CCCC2)c1cc(O)ccc1[N+](=O)[O-] ZINC000351833286 146214169 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O=C(N[C@H](CCCO)c1ccccc1)c1cc(O)ccc1[N+](=O)[O-] ZINC000346832973 475896241 /nfs/dbraw/zinc/89/62/41/475896241.db2.gz UDZCOAQBHOVSDK-OAHLLOKOSA-N 0 2 330.340 2.544 10 5 EFBELN O=C(N[C@@H](CCCO)c1ccccc1)c1cc(O)ccc1[N+](=O)[O-] ZINC000346832971 475896560 /nfs/dbraw/zinc/89/65/60/475896560.db2.gz UDZCOAQBHOVSDK-HNNXBMFYSA-N 0 2 330.340 2.544 10 5 EFBELN C[C@@](NS(=O)(=O)c1ccc([N+](=O)[O-])s1)(C1CC1)C(F)(F)F ZINC000358831267 475973417 /nfs/dbraw/zinc/97/34/17/475973417.db2.gz RSAQDHAGQYCVGJ-SECBINFHSA-N 0 2 344.336 2.666 10 5 EFBELN O=C(NCc1cc(-c2ccccc2)on1)c1cccc(O)c1[N+](=O)[O-] ZINC000355497805 475987414 /nfs/dbraw/zinc/98/74/14/475987414.db2.gz MLZBRQSKLUTPLN-UHFFFAOYSA-N 0 2 339.307 2.885 10 5 EFBELN O=C(NCc1coc(-c2ccccc2)n1)c1cccc(O)c1[N+](=O)[O-] ZINC000343425783 476055159 /nfs/dbraw/zinc/05/51/59/476055159.db2.gz WABOUZZPWMJHQE-UHFFFAOYSA-N 0 2 339.307 2.885 10 5 EFBELN COc1ccc([C@@H](C)NC(=O)c2cc(O)ccc2[N+](=O)[O-])cc1F ZINC000353710833 476209643 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C[C@H](CC(=O)c1ccc(F)cc1)NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000354062232 476398497 /nfs/dbraw/zinc/39/84/97/476398497.db2.gz XSCIALXRHNZADL-SNVBAGLBSA-N 0 2 346.314 2.831 10 5 EFBELN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cccc2c1CC(=O)CC2 ZINC000362964501 476506383 /nfs/dbraw/zinc/50/63/83/476506383.db2.gz VCNMSGPDZRYYIR-UHFFFAOYSA-N 0 2 326.308 2.611 10 5 EFBELN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCn2c(cc3ccccc32)C1 ZINC000361034460 476555602 /nfs/dbraw/zinc/55/56/02/476555602.db2.gz XAILKBVQOOJPNC-UHFFFAOYSA-N 0 2 337.335 2.911 10 5 EFBELN COCc1cc(CNC(=O)c2cc(O)ccc2[N+](=O)[O-])ccc1F ZINC000352257813 476592615 /nfs/dbraw/zinc/59/26/15/476592615.db2.gz YBZNXSOUYPKNAD-UHFFFAOYSA-N 0 2 334.303 2.516 10 5 EFBELN CC(C)(C)Oc1cccc(CNC(=O)c2cc(O)ccc2[N+](=O)[O-])n1 ZINC000354375053 476620256 /nfs/dbraw/zinc/62/02/56/476620256.db2.gz AEWIDUSUBGRPDI-UHFFFAOYSA-N 0 2 345.355 2.803 10 5 EFBELN COc1ccc([C@H]2CCN(C(=O)c3cccc(O)c3[N+](=O)[O-])C2)cc1 ZINC000370202927 476695992 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Cc1ccc2c(c1C)OC[C@@H]2NC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000436965652 477651676 /nfs/dbraw/zinc/65/16/76/477651676.db2.gz LGHGHTPUDLCCPC-AWEZNQCLSA-N 0 2 328.324 2.781 10 5 EFBELN COc1ccccc1[C@]1(C)C[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436989079 477658861 /nfs/dbraw/zinc/65/88/61/477658861.db2.gz LPOSALWZVIIDHC-AEFFLSMTSA-N 0 2 342.351 2.769 10 5 EFBELN Cc1ccnc([C@H]2CCN(C(=O)c3cccc(O)c3[N+](=O)[O-])C2)c1 ZINC000516087919 477887968 /nfs/dbraw/zinc/88/79/68/477887968.db2.gz DPMXJYMJRLIWPN-LBPRGKRZSA-N 0 2 327.340 2.634 10 5 EFBELN CC(C)(C(=O)N=c1nc(C2(C)CC2)[nH]s1)c1ccccc1[N+](=O)[O-] ZINC000600228244 478299360 /nfs/dbraw/zinc/29/93/60/478299360.db2.gz STBFHRIOWGJOET-UHFFFAOYSA-N 0 2 346.412 2.836 10 5 EFBELN O=C(N[C@H](c1ccccn1)C1CCC1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000600299953 478327945 /nfs/dbraw/zinc/32/79/45/478327945.db2.gz BQZPORFZKNHEEQ-INIZCTEOSA-N 0 2 327.340 2.967 10 5 EFBELN Cc1ccc(C(C)(C)CNC(=O)c2cccc(O)c2[N+](=O)[O-])nc1 ZINC000600308101 478331678 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O=C(c1cc([N+](=O)[O-])ccc1O)N1CC(F)(c2ccccc2F)C1 ZINC000590436798 479647148 /nfs/dbraw/zinc/64/71/48/479647148.db2.gz CIKGIRVIXOBZOC-UHFFFAOYSA-N 0 2 334.278 2.760 10 5 EFBELN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CC(F)(c2ccccc2F)C1 ZINC000590443302 479648507 /nfs/dbraw/zinc/64/85/07/479648507.db2.gz KAKQSPJJUGSQNW-UHFFFAOYSA-N 0 2 334.278 2.760 10 5 EFBELN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC(=O)C[C@H]1c1ccccc1 ZINC000590556568 479659279 /nfs/dbraw/zinc/65/92/79/479659279.db2.gz JKTRAWQYFOCLOX-INIZCTEOSA-N 0 2 340.335 2.847 10 5 EFBELN CC(C)c1nc([C@@H]2CCCN2C(=O)c2cc([N+](=O)[O-])ccc2O)no1 ZINC000179523653 519867399 /nfs/dbraw/zinc/86/73/99/519867399.db2.gz GGDUEEHRMWYUEE-LBPRGKRZSA-N 0 2 346.343 2.784 10 5 EFBELN Cc1cc(N(C)C)ccc1NS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000066333484 525024461 /nfs/dbraw/zinc/02/44/61/525024461.db2.gz RFAZQBVLDFPJOY-UHFFFAOYSA-N 0 2 341.414 2.832 10 5 EFBELN Cc1ccc(OCCN(C)C(=O)c2ccc([N+](=O)[O-])c(O)c2)cc1 ZINC000073067889 525416504 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CCN(C(=O)c1ccc([N+](=O)[O-])cc1O)[C@H](C)[C@H](O)c1ccccc1 ZINC000820098513 1277022843 /nfs/dbraw/zinc/02/28/43/1277022843.db2.gz LJXZCLXEWPVKQN-PXAZEXFGSA-N 0 2 344.367 2.885 10 5 EFBELN O=C(Nc1nc(Br)cc2ccccc21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001130964948 1281340665 /nfs/dbraw/zinc/34/06/65/1281340665.db2.gz KAPBHZCVCYTTJJ-NXEZZACHSA-N 0 2 336.145 2.601 10 5 EFBELN CC(C)(C)OC(=O)c1cc(C(=O)Nc2cccc([N+](=O)[O-])c2)[nH]n1 ZINC001135505096 1288047584 /nfs/dbraw/zinc/04/75/84/1288047584.db2.gz WBDQIYAAMPBDQX-UHFFFAOYSA-N 0 2 332.316 2.526 10 5 EFBELN CC(C)(C)OC(=O)c1cc(C(=O)Nc2cccc([N+](=O)[O-])c2)n[nH]1 ZINC001135505096 1288047592 /nfs/dbraw/zinc/04/75/92/1288047592.db2.gz WBDQIYAAMPBDQX-UHFFFAOYSA-N 0 2 332.316 2.526 10 5 EFBELN O=C(N[C@H]1c2ccccc2OC[C@H]1F)c1ccc([N+](=O)[O-])cc1O ZINC001177745551 1288531665 /nfs/dbraw/zinc/53/16/65/1288531665.db2.gz UHVBTVBUXPUAKL-DOMZBBRYSA-N 0 2 332.287 2.502 10 5 EFBELN Cc1ccc(OC[C@H](C)NC(=O)c2cc(O)ccc2[N+](=O)[O-])cc1 ZINC000795760343 1291395870 /nfs/dbraw/zinc/39/58/70/1291395870.db2.gz PNQLNBFDXLUAAZ-LBPRGKRZSA-N 0 2 330.340 2.806 10 5 EFBELN COCCOc1ccc(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)cc1 ZINC000776195214 1296935143 /nfs/dbraw/zinc/93/51/43/1296935143.db2.gz QAYLJOMPHYXGFQ-UHFFFAOYSA-N 0 2 332.312 2.578 10 5 EFBELN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)C1=NO[C@@H](c2ccccc2)C1 ZINC000776197640 1296974378 /nfs/dbraw/zinc/97/43/78/1296974378.db2.gz PGCKJAJSYOPOKT-OAHLLOKOSA-N 0 2 327.296 2.757 10 5 EFBELN COC(=O)Nc1ccc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])cc1 ZINC000795329169 1300760786 /nfs/dbraw/zinc/76/07/86/1300760786.db2.gz LEODQYBMTXOYGZ-UHFFFAOYSA-N 0 2 331.284 2.731 10 5 EFBELN CC(C)(C)OC(=O)[C@H]1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c2ccccc21 ZINC000855763776 1301098131 /nfs/dbraw/zinc/09/81/31/1301098131.db2.gz RIUNVYMVYITGRV-GZBFAFLISA-N 0 2 346.383 2.514 10 5 EFBELN Cc1cccc(OCCCNC(=O)c2cc(O)ccc2[N+](=O)[O-])c1 ZINC000794629505 1302874908 /nfs/dbraw/zinc/87/49/08/1302874908.db2.gz PSKOXZMKVCTWDV-UHFFFAOYSA-N 0 2 330.340 2.808 10 5 EFBELN Cc1nnc(-c2ccc(NC(=O)c3cc(O)ccc3[N+](=O)[O-])cc2)o1 ZINC000796579791 1306487487 /nfs/dbraw/zinc/48/74/87/1306487487.db2.gz VWGULKRUMZBPHS-UHFFFAOYSA-N 0 2 340.295 2.911 10 5 EFBELN O=C(Nc1ccc2[nH]c(=S)[nH]c2c1)c1cc(O)ccc1[N+](=O)[O-] ZINC000803074435 1312250641 /nfs/dbraw/zinc/25/06/41/1312250641.db2.gz NLBZIZJCTKQNQY-UHFFFAOYSA-N 0 2 330.325 2.718 10 5 EFBELN CC(C)n1cc2c(n1)[C@H](NC(=O)c1cc(O)ccc1[N+](=O)[O-])CCC2 ZINC000803090296 1312264006 /nfs/dbraw/zinc/26/40/06/1312264006.db2.gz ZVMSXOLHTSPBGZ-CQSZACIVSA-N 0 2 344.371 2.885 10 5 EFBELN Cc1ncc([N+](=O)[O-])n1CC(=O)Nc1cc(Cl)cc(Cl)c1O ZINC001295107701 1322635241 /nfs/dbraw/zinc/63/52/41/1322635241.db2.gz JHCXXYYKMZSBSV-UHFFFAOYSA-N 0 2 345.142 2.751 10 5 EFBELN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)c1cc2cnccc2o1 ZINC001455103908 1394554808 /nfs/dbraw/zinc/55/48/08/1394554808.db2.gz BJEFNHSAXPVOML-VIFPVBQESA-N 0 2 327.296 2.933 10 5 EFBELN O=c1[nH]nc(CCCNc2c(Cl)c(Cl)ccc2[N+](=O)[O-])[nH]1 ZINC001458212847 1395425438 /nfs/dbraw/zinc/42/54/38/1395425438.db2.gz UEGWOMJROIIZEG-UHFFFAOYSA-N 0 2 332.147 2.770 10 5 EFBELN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cnn(CC2CCCC2)c1 ZINC001466628248 1396766515 /nfs/dbraw/zinc/76/65/15/1396766515.db2.gz AEGCGXDRBGSOQG-UHFFFAOYSA-N 0 2 330.344 2.939 10 5 EFBELN COc1ccccc1C[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC001467636465 1396878575 /nfs/dbraw/zinc/87/85/75/1396878575.db2.gz SPQIMRVAAVTBDT-NSHDSACASA-N 0 2 330.340 2.670 10 5 EFBELN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1ccn(CCC(F)(F)F)n1 ZINC001556081005 1415051786 /nfs/dbraw/zinc/05/17/86/1415051786.db2.gz CXKRDBBAQYATAY-UHFFFAOYSA-N 0 2 344.249 2.702 10 5 EFBELN C[C@@]1(CNC(=O)c2ccc([N+](=O)[O-])cc2O)CCOC2(CCC2)C1 ZINC001558416300 1415178728 /nfs/dbraw/zinc/17/87/28/1415178728.db2.gz KTIVGCDYIQFKLX-MRXNPFEDSA-N 0 2 334.372 2.770 10 5 EFBELN Nc1c(C(=O)NOC2CCCCC2)cc(Cl)c(F)c1[N+](=O)[O-] ZINC001567889933 1416310218 /nfs/dbraw/zinc/31/02/18/1416310218.db2.gz SPWNEKKTXDABJP-UHFFFAOYSA-N 0 2 331.731 2.964 10 5 EFBELN Cc1n[nH]c2cc(NS(=O)(=O)c3csc([N+](=O)[O-])c3)ccc12 ZINC000120302205 713054330 /nfs/dbraw/zinc/05/43/30/713054330.db2.gz DCUSCSWMIAXSRE-UHFFFAOYSA-N 0 2 338.370 2.642 10 5 EFBELN Cc1[nH]nc2cc(NS(=O)(=O)c3csc([N+](=O)[O-])c3)ccc12 ZINC000120302205 713054331 /nfs/dbraw/zinc/05/43/31/713054331.db2.gz DCUSCSWMIAXSRE-UHFFFAOYSA-N 0 2 338.370 2.642 10 5 EFBELN