smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc2c(c1)CCCC2 ZINC000222901027 210176653 /nfs/dbraw/zinc/17/66/53/210176653.db2.gz BOFNCBRGQDMXCK-LBPRGKRZSA-N 0 0 358.825 4.618 40 5 FJBBRN Cc1ccc2c(c1)[C@@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CC(C)(C)O2 ZINC000217872726 222674740 /nfs/dbraw/zinc/67/47/40/222674740.db2.gz SLKNYAQANSQPFX-HNNXBMFYSA-N 0 0 374.824 4.589 40 5 FJBBRN CC[C@H](NC(=O)/C=C/c1cccc([N+](=O)[O-])c1)c1ccc2c(c1)CCCC2 ZINC000223014178 222762907 /nfs/dbraw/zinc/76/29/07/222762907.db2.gz NIOJEPGAJHGJNK-BGVYSJOJSA-N 0 0 364.445 4.754 40 5 FJBBRN CCOc1ccc(C(=O)Nc2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] ZINC000000817504 219325340 /nfs/dbraw/zinc/32/53/40/219325340.db2.gz XTAXOIDJXOJWFM-UHFFFAOYSA-N 0 0 355.177 4.553 40 5 FJBBRN Cc1ccc(Nc2nc(Cl)nc(Nc3cccc([N+](=O)[O-])c3)n2)cc1C ZINC000000869129 219334342 /nfs/dbraw/zinc/33/43/42/219334342.db2.gz WNOFUOFYFZRMCL-UHFFFAOYSA-N 0 0 370.800 4.537 40 5 FJBBRN CC(=O)CSc1ncnc2c3cc4cc(C)cc(C)c4nc3sc21 ZINC000001327865 219395770 /nfs/dbraw/zinc/39/57/70/219395770.db2.gz BERMXNCKGVSFQQ-UHFFFAOYSA-N 0 0 353.472 4.691 40 5 FJBBRN O=[N+]([O-])c1ccc2c(c1)sc1cc([N+](=O)[O-])c(Br)cc12 ZINC000001697584 204017287 /nfs/dbraw/zinc/01/72/87/204017287.db2.gz DZLBTSMMXXHZSI-UHFFFAOYSA-N 0 0 353.153 4.633 40 5 FJBBRN Cc1cc(OCC(=O)Nc2cc(Cl)c([N+](=O)[O-])cc2C)ccc1Cl ZINC000004689059 204155500 /nfs/dbraw/zinc/15/55/00/204155500.db2.gz IXQLNTDCTCRFBA-UHFFFAOYSA-N 0 0 369.204 4.536 40 5 FJBBRN Cc1ccc(C(=O)Nc2c3ccccc3n3c2c2ccccc2nc3C)cn1 ZINC000022415320 204778258 /nfs/dbraw/zinc/77/82/58/204778258.db2.gz DPMRSVVRKNEMMJ-UHFFFAOYSA-N 0 0 366.424 4.905 40 5 FJBBRN Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000217872877 206365219 /nfs/dbraw/zinc/36/52/19/206365219.db2.gz GCTDIEQRWNWGIF-HNNXBMFYSA-N 0 0 374.824 4.589 40 5 FJBBRN Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000217872963 206366136 /nfs/dbraw/zinc/36/61/36/206366136.db2.gz GCTDIEQRWNWGIF-OAHLLOKOSA-N 0 0 374.824 4.589 40 5 FJBBRN COc1ccc2nc3ccccc3nc2c1NC(=O)c1ccccc1Cl ZINC000005444420 210621318 /nfs/dbraw/zinc/62/13/18/210621318.db2.gz NSFKSJPWMKRTFO-UHFFFAOYSA-N 0 0 363.804 4.697 40 5 FJBBRN O=C(Nc1nc2c(ccc(Cl)c2Cl)s1)c1ccc([N+](=O)[O-])cc1 ZINC000004330807 210525929 /nfs/dbraw/zinc/52/59/29/210525929.db2.gz JWJXHEXDDMYAKB-UHFFFAOYSA-N 0 0 368.201 4.764 40 5 FJBBRN CCc1cc([N+](=O)[O-])cc(C)c1NC(=O)COc1ccc(C(C)C)cc1 ZINC000072228784 221451924 /nfs/dbraw/zinc/45/19/24/221451924.db2.gz NWGRSKPIHHUTJU-UHFFFAOYSA-N 0 0 356.422 4.607 40 5 FJBBRN Cc1ccc2c(cccc2NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)n1 ZINC000021595568 263383923 /nfs/dbraw/zinc/38/39/23/263383923.db2.gz MFOXPQRSMJTVMN-UHFFFAOYSA-N 0 0 373.368 4.964 40 5 FJBBRN O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccc(-c2ccc(F)c(Cl)c2)o1 ZINC000408625879 263483318 /nfs/dbraw/zinc/48/33/18/263483318.db2.gz YNWMWEUPTXKEMV-UHFFFAOYSA-N 0 0 360.728 4.900 40 5 FJBBRN O=C(CSCc1cccc([N+](=O)[O-])c1)Nc1ccc(Cl)c(Cl)c1 ZINC000408723808 263491433 /nfs/dbraw/zinc/49/14/33/263491433.db2.gz PYRVSGPZJOQEGL-UHFFFAOYSA-N 0 0 371.245 4.774 40 5 FJBBRN O=C(OCc1ccccc1)Oc1ccc2nc3[nH]c4ccccc4c3nc2c1 ZINC000408976450 263512822 /nfs/dbraw/zinc/51/28/22/263512822.db2.gz QZTSPYSQRKJCEF-UHFFFAOYSA-N 0 0 369.380 4.980 40 5 FJBBRN CC(C)c1ccc(CCCNC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000218122667 519835559 /nfs/dbraw/zinc/83/55/59/519835559.db2.gz GTRLMZYXLWNUJJ-UHFFFAOYSA-N 0 0 360.841 4.734 40 5 FJBBRN COc1ccc([C@H]2CC(=O)c3c(-c4cccc([N+](=O)[O-])c4)ccnc3C2)cc1 ZINC000014164023 570517927 /nfs/dbraw/zinc/51/79/27/570517927.db2.gz YQHZQBCSIXUHOO-MRXNPFEDSA-N 0 0 374.396 4.578 40 5 FJBBRN CC(C)c1ccc(C(=O)Nc2cc(N(C)C)c([N+](=O)[O-])cc2Cl)cc1 ZINC000072229130 570535150 /nfs/dbraw/zinc/53/51/50/570535150.db2.gz QOJMPHUPFQOVGD-UHFFFAOYSA-N 0 0 361.829 4.690 40 5 FJBBRN Cc1ccc(OCC(=O)Nc2cc(Cl)c([N+](=O)[O-])cc2Cl)cc1C ZINC000072229505 570535199 /nfs/dbraw/zinc/53/51/99/570535199.db2.gz IKCLWFZBLXVDHY-UHFFFAOYSA-N 0 0 369.204 4.536 40 5 FJBBRN CCc1ccc(C(=O)Nc2cc(N3CCCC3)c([N+](=O)[O-])cc2Cl)cc1 ZINC000072229137 570535221 /nfs/dbraw/zinc/53/52/21/570535221.db2.gz CGMVFIMIRPPZAK-UHFFFAOYSA-N 0 0 373.840 4.663 40 5 FJBBRN Cc1noc(/C=C\c2ccc(-c3cc(C)c(C)c([N+](=O)[O-])c3)o2)c1[N+](=O)[O-] ZINC000408541109 570567376 /nfs/dbraw/zinc/56/73/76/570567376.db2.gz BNGMLVZSHBPQTI-ALCCZGGFSA-N 0 0 369.333 4.847 40 5 FJBBRN Cc1noc(/C=C\c2cccc(OCc3ccccc3F)c2)c1[N+](=O)[O-] ZINC000408541933 570567722 /nfs/dbraw/zinc/56/77/22/570567722.db2.gz GPNCVYIGAASUPB-KTKRTIGZSA-N 0 0 354.337 4.780 40 5 FJBBRN Cc1c(C=O)c2ccccc2n1C(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000226768018 570611630 /nfs/dbraw/zinc/61/16/30/570611630.db2.gz FFNHEIPGUGTUQZ-UHFFFAOYSA-N 0 0 374.352 4.619 40 5 FJBBRN CCCCOc1ccc(C(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)cc1 ZINC000005309452 570646906 /nfs/dbraw/zinc/64/69/06/570646906.db2.gz GVGNLMNPWSHMHT-UHFFFAOYSA-N 0 0 371.418 4.636 40 5 FJBBRN CCCNC(=S)Nc1ccc2sc3nc4ccccc4nc3c2c1 ZINC000006710499 570652744 /nfs/dbraw/zinc/65/27/44/570652744.db2.gz AYILPRCNNIZHSD-UHFFFAOYSA-N 0 0 352.488 4.694 40 5 FJBBRN COP(=O)(OC)[C@H](Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000005511818 570665864 /nfs/dbraw/zinc/66/58/64/570665864.db2.gz FNBWDMBJUOFJHJ-HNNXBMFYSA-N 0 0 370.729 4.845 40 5 FJBBRN CC(C)C(NC(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1)C(C)C ZINC000408922415 570699506 /nfs/dbraw/zinc/69/95/06/570699506.db2.gz APAHACINWFLXLP-XSFVSMFZSA-N 0 0 366.461 4.932 40 5 FJBBRN CCOc1ccc(NC(=O)Nc2cc3cccnc3c3cccnc23)cc1 ZINC000408974221 570705499 /nfs/dbraw/zinc/70/54/99/570705499.db2.gz DLHBHOUPOKDKCW-UHFFFAOYSA-N 0 0 358.401 4.826 40 5 FJBBRN S=C(NCCC1=CCCCC1)Nc1cc2cccnc2c2cccnc12 ZINC000408977273 570706528 /nfs/dbraw/zinc/70/65/28/570706528.db2.gz VCTVBGFNGHYTLL-UHFFFAOYSA-N 0 0 362.502 4.960 40 5 FJBBRN CC[C@H](C)N1C(=O)S/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)C1=O ZINC000409009833 570712169 /nfs/dbraw/zinc/71/21/69/570712169.db2.gz INFWUDJVLOMLPM-OKHBPPCESA-N 0 0 372.402 4.690 40 5 FJBBRN CCCn1c(SCc2cccc([N+](=O)[O-])c2)nnc1-c1ccccc1 ZINC000409103946 570722578 /nfs/dbraw/zinc/72/25/78/570722578.db2.gz HUXCVAQPFVTJJA-UHFFFAOYSA-N 0 0 354.435 4.556 40 5 FJBBRN CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000223018708 571045134 /nfs/dbraw/zinc/04/51/34/571045134.db2.gz GQCMCTZBZJYUHS-QGZVFWFLSA-N 0 0 362.813 4.661 40 5 FJBBRN C[C@H](NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)c1ccc(C(C)(C)C)cc1 ZINC000013675076 571110772 /nfs/dbraw/zinc/11/07/72/571110772.db2.gz YKOMYJJORXXAKT-LULHVWEPSA-N 0 0 352.434 4.783 40 5 FJBBRN CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000222921977 571170623 /nfs/dbraw/zinc/17/06/23/571170623.db2.gz QEQMQUILZQIMGB-LJQANCHMSA-N 0 0 370.449 4.997 40 5 FJBBRN CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000006304864 571171831 /nfs/dbraw/zinc/17/18/31/571171831.db2.gz MPFSBIRVZAENQA-UHFFFAOYSA-N 0 0 369.204 4.698 40 5 FJBBRN O=[N+]([O-])c1cc(-c2nc(-c3cccc(C(F)(F)F)c3)no2)ccc1Cl ZINC000089262438 571178349 /nfs/dbraw/zinc/17/83/49/571178349.db2.gz ZMPKYKCLGVXAKV-UHFFFAOYSA-N 0 0 369.686 4.984 40 5 FJBBRN O=[N+]([O-])c1cc(-c2nc(-c3ccc(OC(F)F)cc3)no2)ccc1Cl ZINC000089262445 571178564 /nfs/dbraw/zinc/17/85/64/571178564.db2.gz PFIJZZLVVVCSST-UHFFFAOYSA-N 0 0 367.695 4.567 40 5 FJBBRN O=[N+]([O-])c1ccc(Cl)c(-c2nc(-c3ccccc3C(F)(F)F)no2)c1 ZINC000089262480 571178578 /nfs/dbraw/zinc/17/85/78/571178578.db2.gz DFYGNIXKCZOCMI-UHFFFAOYSA-N 0 0 369.686 4.984 40 5 FJBBRN O=[N+]([O-])c1ccc2oc(-c3ccccc3)c(I)c2c1 ZINC000026897182 571202778 /nfs/dbraw/zinc/20/27/78/571202778.db2.gz CASPTRVLSVZJOT-UHFFFAOYSA-N 0 0 365.126 4.613 40 5 FJBBRN COc1ccc2nc3ccccc3nc2c1NC(=O)c1cccc(Cl)c1 ZINC000076494934 571204861 /nfs/dbraw/zinc/20/48/61/571204861.db2.gz LPQRMZMQIPUJDJ-UHFFFAOYSA-N 0 0 363.804 4.697 40 5 FJBBRN O=c1c2cc(Cl)cc(Cl)c2[nH]c(=S)n1-c1ccc([N+](=O)[O-])cc1 ZINC000139187349 571264539 /nfs/dbraw/zinc/26/45/39/571264539.db2.gz ACAJIEOCIOCNMQ-UHFFFAOYSA-N 0 0 368.201 4.676 40 5 FJBBRN C/C(=C\c1ccccc1OC(=O)c1ccc(Cl)cc1Cl)[N+](=O)[O-] ZINC000033828573 571306032 /nfs/dbraw/zinc/30/60/32/571306032.db2.gz XUTNMURPRFWBQI-CSKARUKUSA-N 0 0 352.173 4.850 40 5 FJBBRN COc1ccc(C(=O)Nc2ccc3nc4[nH]c5ccccc5c4nc3c2)cc1 ZINC000103945441 571306812 /nfs/dbraw/zinc/30/68/12/571306812.db2.gz QBIOKAVHZJSZNW-UHFFFAOYSA-N 0 0 368.396 4.525 40 5 FJBBRN CC[C@H](Oc1cccc(C)c1C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000022518354 571336954 /nfs/dbraw/zinc/33/69/54/571336954.db2.gz IIQFWEIEQQCUPA-INIZCTEOSA-N 0 0 362.813 4.661 40 5 FJBBRN CCCCOCc1cc(C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OCC ZINC000224729367 222819467 /nfs/dbraw/zinc/81/94/67/222819467.db2.gz NKNORSVREXCQOI-UHFFFAOYSA-N 0 0 372.421 4.563 40 5 FJBBRN CCCOc1ccc(C(F)(F)F)cc1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000007688109 219816787 /nfs/dbraw/zinc/81/67/87/219816787.db2.gz WGRABWQIDASFLK-UHFFFAOYSA-N 0 0 368.311 4.655 40 5 FJBBRN NC(=O)c1ccc2nc(-c3ccc([N+](=O)[O-])cc3)cc(-c3ccccc3)c2c1 ZINC000008436369 219862837 /nfs/dbraw/zinc/86/28/37/219862837.db2.gz OEOCYHNUFOHOMM-UHFFFAOYSA-N 0 0 369.380 4.576 40 5 FJBBRN CC(C)c1ccc(/C=C2/N=C(c3cc([N+](=O)[O-])ccc3Cl)OC2=O)cc1 ZINC000001435427 204007127 /nfs/dbraw/zinc/00/71/27/204007127.db2.gz VXYAHDIGTCMMQI-RQZCQDPDSA-N 0 0 370.792 4.716 40 5 FJBBRN O=[N+]([O-])c1ccc(F)c(NC(=S)Nc2ccc(Cl)c(Cl)c2)c1 ZINC000006925824 204282804 /nfs/dbraw/zinc/28/28/04/204282804.db2.gz MQSGUGVMHVPKMR-UHFFFAOYSA-N 0 0 360.197 4.850 40 5 FJBBRN O=C(CSCc1ccc([N+](=O)[O-])cc1)Nc1cc(Cl)cc(Cl)c1 ZINC000007093825 204289132 /nfs/dbraw/zinc/28/91/32/204289132.db2.gz KMUQWIXJRIJLMW-UHFFFAOYSA-N 0 0 371.245 4.774 40 5 FJBBRN Cc1c(NC(=O)c2cc(Br)ccc2Cl)cccc1[N+](=O)[O-] ZINC000019164631 220238701 /nfs/dbraw/zinc/23/87/01/220238701.db2.gz VMHLOTHAVSGDQT-UHFFFAOYSA-N 0 0 369.602 4.571 40 5 FJBBRN Cc1cccc2nc(-c3ccc([N+](=O)[O-])cc3)c(NC3CCCCC3)n21 ZINC000013564913 206303487 /nfs/dbraw/zinc/30/34/87/206303487.db2.gz KHTJCEBCFXRLEG-UHFFFAOYSA-N 0 0 350.422 4.963 40 5 FJBBRN Cc1ccc([C@@H](NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)cc1 ZINC000216479946 206359707 /nfs/dbraw/zinc/35/97/07/206359707.db2.gz KUUGVMANXSDIEL-UXZSZYKQSA-N 0 0 372.424 4.822 40 5 FJBBRN Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000218120522 206367567 /nfs/dbraw/zinc/36/75/67/206367567.db2.gz ADWBRJYMNPOOFW-INIZCTEOSA-N 0 0 374.824 4.589 40 5 FJBBRN Cc1ccc2c(c1)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)CC(C)(C)O2 ZINC000218120431 206367896 /nfs/dbraw/zinc/36/78/96/206367896.db2.gz DKOIGZUQWLHYDP-MRXNPFEDSA-N 0 0 374.824 4.589 40 5 FJBBRN COc1cc(C)c([C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2C)cc1C(C)C ZINC000223264140 206436192 /nfs/dbraw/zinc/43/61/92/206436192.db2.gz PZTLZCYFEGBRGX-HNNXBMFYSA-N 0 0 370.449 4.835 40 5 FJBBRN O=[N+]([O-])c1cccc([C@H]2Oc3ccccc3[C@H]3C[C@@H](c4ccccc4)NN32)c1 ZINC000019171700 211204754 /nfs/dbraw/zinc/20/47/54/211204754.db2.gz JHBBRCDFRDNVNA-TUNNFDKTSA-N 0 0 373.412 4.679 40 5 FJBBRN Cc1cc(OC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)ccc1Br ZINC000000943335 210291589 /nfs/dbraw/zinc/29/15/89/210291589.db2.gz HQVHKJAUJXIBQS-UHFFFAOYSA-N 0 0 370.586 4.538 40 5 FJBBRN Cc1ccccc1C(=O)Nc1cc(N2CCCCC2)c([N+](=O)[O-])cc1Cl ZINC000072229097 136143759 /nfs/dbraw/zinc/14/37/59/136143759.db2.gz LIWQKIYIEXKBHM-UHFFFAOYSA-N 0 0 373.840 4.799 40 5 FJBBRN CN1c2ccccc2C[C@H](C(=O)Nc2cccc([N+](=O)[O-])c2)c2ccccc21 ZINC000005334759 263340337 /nfs/dbraw/zinc/34/03/37/263340337.db2.gz ZEFTXDHGNFMVNB-IBGZPJMESA-N 0 0 373.412 4.641 40 5 FJBBRN Cc1ccc(C)c(NC(=O)CSc2nc3ccc([N+](=O)[O-])cc3s2)c1 ZINC000006028034 263344038 /nfs/dbraw/zinc/34/40/38/263344038.db2.gz YEPAJTIQCYNGOF-UHFFFAOYSA-N 0 0 373.459 4.552 40 5 FJBBRN Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)c1ccc(OCC(C)C)cc1 ZINC000009141737 263360044 /nfs/dbraw/zinc/36/00/44/263360044.db2.gz OKPYCJGKBUAHBN-UHFFFAOYSA-N 0 0 362.813 4.844 40 5 FJBBRN O=C(Nc1ccc2oc(Cc3ccccc3)nc2c1)c1ccccc1[N+](=O)[O-] ZINC000010120051 263363587 /nfs/dbraw/zinc/36/35/87/263363587.db2.gz OBCRXMVJTRIDRW-UHFFFAOYSA-N 0 0 373.368 4.579 40 5 FJBBRN Cc1c(NC(=O)COc2ccc(C3CCCCC3)cc2)cccc1[N+](=O)[O-] ZINC000021124910 263383455 /nfs/dbraw/zinc/38/34/55/263383455.db2.gz VONHJAPEHHDGNX-UHFFFAOYSA-N 0 0 368.433 4.968 40 5 FJBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)/C=C/c1ccc(-c2ccccc2)o1 ZINC000021596012 263383785 /nfs/dbraw/zinc/38/37/85/263383785.db2.gz UQUDIKPIVOJPBG-FMIVXFBMSA-N 0 0 364.357 4.515 40 5 FJBBRN O=[N+]([O-])c1cccc(NCc2cccc(OCc3cccc(F)c3)c2)c1 ZINC000408559875 570567396 /nfs/dbraw/zinc/56/73/96/570567396.db2.gz WYDYQLJDYURGBV-UHFFFAOYSA-N 0 0 352.365 4.925 40 5 FJBBRN O=C(c1ccccc1)c1[nH]c2ccccc2c(=O)c1-c1ccc([N+](=O)[O-])cc1 ZINC000004962582 570567584 /nfs/dbraw/zinc/56/75/84/570567584.db2.gz ADUGYMFFEXEGIZ-UHFFFAOYSA-N 0 0 370.364 4.747 40 5 FJBBRN CCOc1cc(CNc2cccc([N+](=O)[O-])c2)cc(Cl)c1OCC ZINC000408556308 570567895 /nfs/dbraw/zinc/56/78/95/570567895.db2.gz ITQFBAYMUXLTFF-UHFFFAOYSA-N 0 0 350.802 4.658 40 5 FJBBRN C[C@H]1CCCCN1c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000408629033 570570118 /nfs/dbraw/zinc/57/01/18/570570118.db2.gz IQAHBNVATLCYSQ-ZDUSSCGKSA-N 0 0 373.840 4.879 40 5 FJBBRN CC[C@@H](C)c1ccc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1 ZINC000408622602 570570494 /nfs/dbraw/zinc/57/04/94/570570494.db2.gz PIFGUEFPAPUFJX-OAHLLOKOSA-N 0 0 367.449 4.961 40 5 FJBBRN COc1ccc(C)cc1NC(=O)c1cc2c(ccc3ccccc32)oc1=O ZINC000408806788 570688294 /nfs/dbraw/zinc/68/82/94/570688294.db2.gz BTBLQORJQNVVER-UHFFFAOYSA-N 0 0 359.381 4.516 40 5 FJBBRN O=C(Nc1cc2ncccc2c2cccnc12)N1CC[C@@H](c2ccccc2)C1 ZINC000408976357 570706273 /nfs/dbraw/zinc/70/62/73/570706273.db2.gz QSVGKYYAVWWWCO-QGZVFWFLSA-N 0 0 368.440 4.804 40 5 FJBBRN CCOc1ccc(NC(=O)Nc2cc3ncccc3c3cccnc23)cc1 ZINC000408976131 570706289 /nfs/dbraw/zinc/70/62/89/570706289.db2.gz PLRIMKZIZJHOCT-UHFFFAOYSA-N 0 0 358.401 4.826 40 5 FJBBRN O=C(Nc1cc2cccnc2c2cccnc12)N1CC[C@H](c2ccccc2)C1 ZINC000408976962 570706555 /nfs/dbraw/zinc/70/65/55/570706555.db2.gz UCBPWMNWXSZFND-SFHVURJKSA-N 0 0 368.440 4.804 40 5 FJBBRN CCOc1ccc(NC(=O)Nc2cc3ccncc3c3ncccc23)cc1 ZINC000408976739 570706687 /nfs/dbraw/zinc/70/66/87/570706687.db2.gz RWDKJWQUTOFAQR-UHFFFAOYSA-N 0 0 358.401 4.826 40 5 FJBBRN O=C(NCCC1=CCCCC1)c1ccc2[nH]c3nc4ccccc4nc3c2c1 ZINC000408977923 570706942 /nfs/dbraw/zinc/70/69/42/570706942.db2.gz ZOHSOZFQRUJZED-UHFFFAOYSA-N 0 0 370.456 4.885 40 5 FJBBRN CC(C)N(C(=O)Nc1ccc2[nH]c3nc4ccccc4nc3c2c1)C(C)C ZINC000409001543 570710985 /nfs/dbraw/zinc/71/09/85/570710985.db2.gz WLWWDCLIZYRPFP-UHFFFAOYSA-N 0 0 361.449 4.915 40 5 FJBBRN O=[N+]([O-])c1ccc(Oc2ccccc2CNc2ccccc2)c([N+](=O)[O-])c1 ZINC000409114713 570725585 /nfs/dbraw/zinc/72/55/85/570725585.db2.gz PVYLXMKMJYJQFG-UHFFFAOYSA-N 0 0 365.345 4.907 40 5 FJBBRN O=C(OCc1ccc(Cl)c(Cl)c1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000006062358 570778243 /nfs/dbraw/zinc/77/82/43/570778243.db2.gz QVTWUXHKKJKNSY-UHFFFAOYSA-N 0 0 360.580 4.912 40 5 FJBBRN CC[C@H](Oc1cc(C)cc(C)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000222991353 571044729 /nfs/dbraw/zinc/04/47/29/571044729.db2.gz UTURLXVDEHAPFR-KRWDZBQOSA-N 0 0 362.813 4.661 40 5 FJBBRN O=[N+]([O-])c1ccc(SCc2ccc(Br)cc2)c([N+](=O)[O-])c1 ZINC000001704642 571165964 /nfs/dbraw/zinc/16/59/64/571165964.db2.gz XAUHWVPGZZMXDG-UHFFFAOYSA-N 0 0 369.196 4.558 40 5 FJBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)/C=C/c1ccc(Cl)cc1Cl ZINC000001986165 571203243 /nfs/dbraw/zinc/20/32/43/571203243.db2.gz HSKHOSPONHQQGO-XVNBXDOJSA-N 0 0 367.188 4.562 40 5 FJBBRN CCOC(=O)c1c(C)oc2c1cc(O)cc2-c1ccc(C)cc1[N+](=O)[O-] ZINC000004754104 571231218 /nfs/dbraw/zinc/23/12/18/571231218.db2.gz UDYWRXFXDWDVPP-UHFFFAOYSA-N 0 0 355.346 4.507 40 5 FJBBRN COc1ccc(OC)c2c1[C@@H](c1ccc([N+](=O)[O-])cc1)O[C@H]1CCCC[C@@H]21 ZINC000006668162 571239696 /nfs/dbraw/zinc/23/96/96/571239696.db2.gz MXJZASFYLXWVPX-VWKPWSFCSA-N 0 0 369.417 4.758 40 5 FJBBRN Cc1ccc(C(=O)Nc2nc3cc(Cl)c(C)cc3s2)cc1[N+](=O)[O-] ZINC000006846523 571249865 /nfs/dbraw/zinc/24/98/65/571249865.db2.gz VNJZTMWXMFEWFK-UHFFFAOYSA-N 0 0 361.810 4.727 40 5 FJBBRN O=C(CSCc1ccc(Cl)cc1)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000008907631 571320946 /nfs/dbraw/zinc/32/09/46/571320946.db2.gz DCHUKDJYJCXRLR-UHFFFAOYSA-N 0 0 371.245 4.774 40 5 FJBBRN Cc1cc(C(=O)Nc2ccc(N3CCCC[C@@H]3C)cc2)ccc1[N+](=O)[O-] ZINC000009064401 571321000 /nfs/dbraw/zinc/32/10/00/571321000.db2.gz GGIMLZAITVMUBR-HNNXBMFYSA-N 0 0 353.422 4.534 40 5 FJBBRN O=C(Nc1ccc(OC2CCCC2)cc1)c1ccc([N+](=O)[O-])cc1Cl ZINC000010542610 571321556 /nfs/dbraw/zinc/32/15/56/571321556.db2.gz PAOVIUQLUYNDKL-UHFFFAOYSA-N 0 0 360.797 4.822 40 5 FJBBRN CC(C)Oc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)cc1 ZINC000225505708 571322729 /nfs/dbraw/zinc/32/27/29/571322729.db2.gz RDINZBZVZSBGSO-UHFFFAOYSA-N 0 0 368.433 4.833 40 5 FJBBRN O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1cccc(F)c1 ZINC000057315707 571342574 /nfs/dbraw/zinc/34/25/74/571342574.db2.gz RLHWPIMJMZHOOQ-PKNBQFBNSA-N 0 0 352.321 4.646 40 5 FJBBRN CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000222991304 222761124 /nfs/dbraw/zinc/76/11/24/222761124.db2.gz UTURLXVDEHAPFR-QGZVFWFLSA-N 0 0 362.813 4.661 40 5 FJBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CSCc1ccc(Cl)cc1F ZINC000223880108 222799022 /nfs/dbraw/zinc/79/90/22/222799022.db2.gz HTFOTBNHGDJIJD-UHFFFAOYSA-N 0 0 368.817 4.568 40 5 FJBBRN Cc1ccc(NCC[NH+]2CCCCC2)c2c(=O)c3ccccc3sc12 ZINC000004366918 204135192 /nfs/dbraw/zinc/13/51/92/204135192.db2.gz KKFBLQFPAFFXJU-UHFFFAOYSA-N 0 0 352.503 4.621 40 5 FJBBRN CCCCc1ccc2nc(NC(=O)c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000006342768 204246309 /nfs/dbraw/zinc/24/63/09/204246309.db2.gz LQGMRWKAERSRDZ-UHFFFAOYSA-N 0 0 355.419 4.799 40 5 FJBBRN C[C@@H](C(=O)c1ccc2cc(Br)c3ccccc3c2c1)N(C)C ZINC000006486967 204250079 /nfs/dbraw/zinc/25/00/79/204250079.db2.gz WLGYGMHEMOYARN-LBPRGKRZSA-N 0 0 356.263 4.888 40 5 FJBBRN [O-][n+]1c(/C=C/c2ccccc2)n(O)c2c1c1ccccc1c1ccccc21 ZINC000006863944 204277052 /nfs/dbraw/zinc/27/70/52/204277052.db2.gz WROIMXBUKHPEFD-CCEZHUSRSA-N 0 0 352.393 4.989 40 5 FJBBRN O=C(CSCc1ccc(Cl)cc1Cl)Nc1cccc([N+](=O)[O-])c1 ZINC000008907887 204348807 /nfs/dbraw/zinc/34/88/07/204348807.db2.gz NWZXLMIEJWQPRX-UHFFFAOYSA-N 0 0 371.245 4.774 40 5 FJBBRN Cc1ccccc1[C@H](NC(=O)/C=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000020455989 204725055 /nfs/dbraw/zinc/72/50/55/204725055.db2.gz SEPIIUOJQZAAKQ-WOOPDLCSSA-N 0 0 372.424 4.822 40 5 FJBBRN Cc1ccc(C(=O)Nc2ccc(Br)cc2Cl)cc1[N+](=O)[O-] ZINC000014785136 220133253 /nfs/dbraw/zinc/13/32/53/220133253.db2.gz VFBFCVHOPAETTC-UHFFFAOYSA-N 0 0 369.602 4.571 40 5 FJBBRN Cc1ccc([N+](=O)[O-])cc1-c1ccc(C(=O)n2cc(C=O)c3ccccc32)o1 ZINC000226768529 206123549 /nfs/dbraw/zinc/12/35/49/206123549.db2.gz GXROXMRBKROZJU-UHFFFAOYSA-N 0 0 374.352 4.619 40 5 FJBBRN Cc1ccc(N(Cc2ccc([N+](=O)[O-])cc2)C(=O)c2cccs2)cc1 ZINC000000853658 206135628 /nfs/dbraw/zinc/13/56/28/206135628.db2.gz RNPOZLFMSWMXER-UHFFFAOYSA-N 0 0 352.415 4.812 40 5 FJBBRN CCc1ccc(O[C@H](CC)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000222890060 206426999 /nfs/dbraw/zinc/42/69/99/206426999.db2.gz ABSRMRCTERDSDF-QGZVFWFLSA-N 0 0 362.813 4.607 40 5 FJBBRN Cc1ccc([C@H](NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1 ZINC000020040245 211266689 /nfs/dbraw/zinc/26/66/89/211266689.db2.gz VGQAWQKVCOUXMN-UUFSLDAJSA-N 0 0 372.424 4.822 40 5 FJBBRN O=C(CSc1ccccc1)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000019929521 211261699 /nfs/dbraw/zinc/26/16/99/211261699.db2.gz IZFPOGMTCJIYMS-UHFFFAOYSA-N 0 0 357.218 4.632 40 5 FJBBRN Cc1ccc([C@H](NC(=O)c2cccc([N+](=O)[O-])c2C)c2ccccc2)cc1 ZINC000014577297 211096735 /nfs/dbraw/zinc/09/67/35/211096735.db2.gz YITOWCMYYRZJSV-OAQYLSRUSA-N 0 0 360.413 4.731 40 5 FJBBRN CC1CCN(c2cc(NC(=O)c3ccccc3)c(Cl)cc2[N+](=O)[O-])CC1 ZINC000072229099 136143870 /nfs/dbraw/zinc/14/38/70/136143870.db2.gz UWMDOVBNCGQEFB-UHFFFAOYSA-N 0 0 373.840 4.737 40 5 FJBBRN CN1c2ccccc2C[C@@H](C(=O)Nc2cccc([N+](=O)[O-])c2)c2ccccc21 ZINC000005334790 263340501 /nfs/dbraw/zinc/34/05/01/263340501.db2.gz ZEFTXDHGNFMVNB-LJQANCHMSA-N 0 0 373.412 4.641 40 5 FJBBRN Cc1ccc(Nc2nc(Cl)nc(Nc3ccc([N+](=O)[O-])cc3)n2)cc1C ZINC000005363740 263340814 /nfs/dbraw/zinc/34/08/14/263340814.db2.gz OLXGKTLWASBXAE-UHFFFAOYSA-N 0 0 370.800 4.537 40 5 FJBBRN Cc1ccc(C(=O)Nc2ccc(Br)c(Cl)c2)cc1[N+](=O)[O-] ZINC000006478334 263345289 /nfs/dbraw/zinc/34/52/89/263345289.db2.gz FGEDVWDOFKMRFC-UHFFFAOYSA-N 0 0 369.602 4.571 40 5 FJBBRN CC(C)Oc1ccc(C(=O)Nc2cc(Cl)c([N+](=O)[O-])cc2Cl)cc1 ZINC000072229468 570535398 /nfs/dbraw/zinc/53/53/98/570535398.db2.gz ZXQQSHGXOQFMHP-UHFFFAOYSA-N 0 0 369.204 4.941 40 5 FJBBRN C[C@@H]1CCCCN1c1ccc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1 ZINC000408628984 570570034 /nfs/dbraw/zinc/57/00/34/570570034.db2.gz GUJXGWZESAPJPM-WDBUWWRISA-N 0 0 365.433 4.626 40 5 FJBBRN O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(-c2ccc(F)c(Cl)c2)o1 ZINC000408623176 570570700 /nfs/dbraw/zinc/57/07/00/570570700.db2.gz RKQOLNDLZZVKAO-UHFFFAOYSA-N 0 0 360.728 4.900 40 5 FJBBRN O=C(Nc1cc2cccnc2c2cccnc12)N1CC[C@@H](c2ccccc2)C1 ZINC000408976961 570706678 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O=[N+]([O-])c1cc(-c2nc(-c3ccc(C(F)(F)F)cc3)no2)ccc1Cl ZINC000089262440 571178584 /nfs/dbraw/zinc/17/85/84/571178584.db2.gz GWJZHENRCRWAIS-UHFFFAOYSA-N 0 0 369.686 4.984 40 5 FJBBRN O=[N+]([O-])c1cc(-c2nc(-c3ccccc3C(F)(F)F)no2)ccc1Cl ZINC000089262436 571178648 /nfs/dbraw/zinc/17/86/48/571178648.db2.gz OJYOTYBEZIUFNN-UHFFFAOYSA-N 0 0 369.686 4.984 40 5 FJBBRN CCN(CC)c1ccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(C)c1 ZINC000006629922 571237150 /nfs/dbraw/zinc/23/71/50/571237150.db2.gz YELGQNGGEIBQDT-UHFFFAOYSA-N 0 0 361.829 4.655 40 5 FJBBRN CCCOc1ccc(C(F)(F)F)cc1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000007688115 571285718 /nfs/dbraw/zinc/28/57/18/571285718.db2.gz UBPQDJLBPMVTRF-UHFFFAOYSA-N 0 0 368.311 4.655 40 5 FJBBRN COc1ccc(OC)c(CSc2nc3ccc([N+](=O)[O-])cc3s2)c1 ZINC000007184942 571298590 /nfs/dbraw/zinc/29/85/90/571298590.db2.gz SZYWCXKCSZZXHU-UHFFFAOYSA-N 0 0 362.432 4.514 40 5 FJBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(-c2ccc(C)c(C)c2)o1 ZINC000033688176 571305780 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Cc1ccc(C(C)C)c(O[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)c1 ZINC000225765366 571338169 /nfs/dbraw/zinc/33/81/69/571338169.db2.gz JIEKIXDMNMVAHI-OAHLLOKOSA-N 0 0 356.422 4.741 40 5 FJBBRN CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000225763450 571338170 /nfs/dbraw/zinc/33/81/70/571338170.db2.gz LNFJDEJWQFTTCW-HXUWFJFHSA-N 0 0 368.433 4.578 40 5 FJBBRN Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)c1 ZINC000225765341 571338176 /nfs/dbraw/zinc/33/81/76/571338176.db2.gz JIEKIXDMNMVAHI-HNNXBMFYSA-N 0 0 356.422 4.741 40 5 FJBBRN O=[N+]([O-])c1ccc2nc(-c3ccc(Br)cc3Cl)oc2c1 ZINC000216744781 571342825 /nfs/dbraw/zinc/34/28/25/571342825.db2.gz BMVBDRLHLZQRAC-UHFFFAOYSA-N 0 0 353.559 4.819 40 5 FJBBRN Cc1ccc(-c2cnc(NC(=O)c3cccc([N+](=O)[O-])c3)s2)c(C)c1 ZINC000000862611 219333496 /nfs/dbraw/zinc/33/34/96/219333496.db2.gz HAMNDDNKVXEXTF-UHFFFAOYSA-N 0 0 353.403 4.587 40 5 FJBBRN O=C(Nc1nc2ccc(Cl)cc2s1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000006329272 219724622 /nfs/dbraw/zinc/72/46/22/219724622.db2.gz PARVVQIOQVINFO-UHFFFAOYSA-N 0 0 368.201 4.764 40 5 FJBBRN COc1cc2oc3ccccc3c(=O)c2cc1CSc1ccccc1N ZINC000003954566 204117473 /nfs/dbraw/zinc/11/74/73/204117473.db2.gz VMGAYMORJUGJIC-UHFFFAOYSA-N 0 0 363.438 4.829 40 5 in-vitro FJBBRN O=C(NCCC(c1ccccc1)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000005681851 204220647 /nfs/dbraw/zinc/22/06/47/204220647.db2.gz MOWJHAMSAOVWAN-UHFFFAOYSA-N 0 0 360.413 4.547 40 5 FJBBRN CCCCCCOc1ccc(OC(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1 ZINC000005792370 204226118 /nfs/dbraw/zinc/22/61/18/204226118.db2.gz SYDQJDMLBNGPTN-UHFFFAOYSA-N 0 0 373.405 4.782 40 5 FJBBRN O=C(CSCc1cccc(Cl)c1)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000008907691 204347459 /nfs/dbraw/zinc/34/74/59/204347459.db2.gz PYXFCIBYKCZXBQ-UHFFFAOYSA-N 0 0 371.245 4.774 40 5 FJBBRN Cc1cc(-c2n[nH]c(COc3ccc(C(C)(C)C)cc3)n2)ccc1[N+](=O)[O-] ZINC000040169713 205062290 /nfs/dbraw/zinc/06/22/90/205062290.db2.gz PTVOBJHDKJQPIW-UHFFFAOYSA-N 0 0 366.421 4.565 40 5 FJBBRN CC(C)c1ccccc1O[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000044901062 205114146 /nfs/dbraw/zinc/11/41/46/205114146.db2.gz JJOYWDZDQADNEE-LBPRGKRZSA-N 0 0 362.813 4.778 40 5 FJBBRN O=[N+]([O-])c1cc(-c2nc(-c3ccccc3OC(F)F)no2)ccc1Cl ZINC000089262441 205662378 /nfs/dbraw/zinc/66/23/78/205662378.db2.gz DODUDGNPXBTWCS-UHFFFAOYSA-N 0 0 367.695 4.567 40 5 FJBBRN O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc2c(c1)Cc1ccccc1-2 ZINC000000861616 206135602 /nfs/dbraw/zinc/13/56/02/206135602.db2.gz LDAKIFDPKNDJST-DHZHZOJOSA-N 0 0 356.381 4.818 40 5 FJBBRN Cc1ccc(C23C[C@H]4C[C@H](CC(Br)(C4)C2)C3)cc1[N+](=O)[O-] ZINC000018128043 206325455 /nfs/dbraw/zinc/32/54/55/206325455.db2.gz MEJHJEXJWUTGCI-ZPVISIIKSA-N 0 0 350.256 4.889 40 5 FJBBRN CC[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000216209229 206355666 /nfs/dbraw/zinc/35/56/66/206355666.db2.gz AJWLLPDEKSLDFK-HXUWFJFHSA-N 0 0 364.401 4.853 40 5 FJBBRN CCC1(CC)C[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(C)c2)c2ccccc2O1 ZINC000223330628 206437318 /nfs/dbraw/zinc/43/73/18/206437318.db2.gz RGVJPJXNTQBSQL-QGZVFWFLSA-N 0 0 368.433 4.716 40 5 FJBBRN COc1ccc([C@@H](CC(C)C)NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1 ZINC000022526603 211354070 /nfs/dbraw/zinc/35/40/70/211354070.db2.gz DPKVLOFEQUGOOX-ACGJQVIASA-N 0 0 368.433 4.520 40 5 FJBBRN CC[C@@H](Oc1cccc2ccccc21)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000020493050 211283722 /nfs/dbraw/zinc/28/37/22/211283722.db2.gz KZZRSPDTOSTRFO-GOSISDBHSA-N 0 0 350.374 4.544 40 5 FJBBRN O=C(OC[C@H]1[C@H]2CC[C@H](C2)[C@@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000005119107 210602175 /nfs/dbraw/zinc/60/21/75/210602175.db2.gz GMKJTBKWFFGKGT-HNJRGHQBSA-N 0 0 351.402 4.582 40 5 FJBBRN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1cc2cc(Cl)ccc2o1 ZINC000041306257 220931566 /nfs/dbraw/zinc/93/15/66/220931566.db2.gz VNIAMFSEJNXAIL-UHFFFAOYSA-N 0 0 351.145 4.900 40 5 FJBBRN Cc1cccc(OCC(=O)Nc2cc(Cl)c([N+](=O)[O-])cc2Cl)c1C ZINC000072229503 221451777 /nfs/dbraw/zinc/45/17/77/221451777.db2.gz AKESGKYQCQSQOH-UHFFFAOYSA-N 0 0 369.204 4.536 40 5 FJBBRN CCCCOC(=O)c1cc(Cl)c(N2CCCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000070462593 136138385 /nfs/dbraw/zinc/13/83/85/136138385.db2.gz YHWVIHDUNFYFEH-LBPRGKRZSA-N 0 0 354.834 4.584 40 5 FJBBRN C[C@@H]1CCCCN1c1cc(NC(=O)c2ccccc2)c(Cl)cc1[N+](=O)[O-] ZINC000072229104 136143755 /nfs/dbraw/zinc/14/37/55/136143755.db2.gz ZNVQRAWEIJKQBU-CYBMUJFWSA-N 0 0 373.840 4.879 40 5 FJBBRN COc1ccc(NC(=O)c2cccc3c(Cl)cccc23)cc1[N+](=O)[O-] ZINC000009141546 263359929 /nfs/dbraw/zinc/35/99/29/263359929.db2.gz RGAAPKVQCCTZFN-UHFFFAOYSA-N 0 0 356.765 4.662 40 5 FJBBRN O=C(Nc1ccc2oc(Cc3ccccc3)nc2c1)c1ccc([N+](=O)[O-])cc1 ZINC000010120058 263363687 /nfs/dbraw/zinc/36/36/87/263363687.db2.gz XWLSRUVMJAZXJU-UHFFFAOYSA-N 0 0 373.368 4.579 40 5 FJBBRN O=C(Nc1ccccc1F)c1ccc2nc3[nH]c4ccccc4c3nc2c1 ZINC000408721586 263490580 /nfs/dbraw/zinc/49/05/80/263490580.db2.gz JIADWYZNLXWIOP-UHFFFAOYSA-N 0 0 356.360 4.656 40 5 FJBBRN CCN1C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c2ccccc21 ZINC000409109373 263526633 /nfs/dbraw/zinc/52/66/33/263526633.db2.gz CIPZRVSFNBEUHM-AQTBWJFISA-N 0 0 360.369 4.762 40 5 FJBBRN COC(=O)/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)C(=O)OC ZINC000033830370 522740990 /nfs/dbraw/zinc/74/09/90/522740990.db2.gz OXNHRKGZZFWUQZ-QORFUXSJSA-N 0 0 356.462 4.786 40 5 biogenic,in-vitro FJBBRN Cc1cc([N+](=O)[O-])cc(C)c1NC(=O)COc1ccc(Cl)cc1Cl ZINC000072228831 570535385 /nfs/dbraw/zinc/53/53/85/570535385.db2.gz IMYSWINHYHBBCL-UHFFFAOYSA-N 0 0 369.204 4.536 40 5 FJBBRN O=[N+]([O-])c1cccc(NCc2ccccc2OCc2ccc(F)cc2)c1 ZINC000408554396 570568013 /nfs/dbraw/zinc/56/80/13/570568013.db2.gz DQGZKIZXIKRDCR-UHFFFAOYSA-N 0 0 352.365 4.925 40 5 FJBBRN COc1ccc(NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)cc1[N+](=O)[O-] ZINC000408619919 570570167 /nfs/dbraw/zinc/57/01/67/570570167.db2.gz DGRJCDYJBIVTLJ-UHFFFAOYSA-N 0 0 372.764 4.769 40 5 FJBBRN Cc1nc(-c2ccc(C(=O)Nc3ccc(C)c([N+](=O)[O-])c3)cc2)cs1 ZINC000408622472 570570675 /nfs/dbraw/zinc/57/06/75/570570675.db2.gz QPBLDMFBMQJSHE-UHFFFAOYSA-N 0 0 353.403 4.587 40 5 FJBBRN CCOc1ccc(C(=O)Nc2cc(Cl)c([N+](=O)[O-])cc2C)cc1Cl ZINC000408624024 570570721 /nfs/dbraw/zinc/57/07/21/570570721.db2.gz WNLKQDDWQXNMKB-UHFFFAOYSA-N 0 0 369.204 4.861 40 5 FJBBRN Cc1ccc(-c2nc(=O)c3c4c(sc3[nH]2)CCCCCC4)cc1[N+](=O)[O-] ZINC000408992837 570578707 /nfs/dbraw/zinc/57/87/07/570578707.db2.gz URESABFJBJDNES-UHFFFAOYSA-N 0 0 369.446 4.940 40 5 FJBBRN CC[C@@H](C)N1C(=O)S/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1=O ZINC000409010812 570579694 /nfs/dbraw/zinc/57/96/94/570579694.db2.gz LPPFUBVJDZEJSN-HPUUJOOBSA-N 0 0 372.402 4.690 40 5 FJBBRN Cc1ccc(-c2ccc(/C=C3/SC(=O)N(C(C)C)C3=O)o2)cc1[N+](=O)[O-] ZINC000409021368 570579754 /nfs/dbraw/zinc/57/97/54/570579754.db2.gz DOUPTVJFFSVUOP-CXUHLZMHSA-N 0 0 372.402 4.608 40 5 FJBBRN COc1ccc(NCc2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)cc1 ZINC000409114286 570582023 /nfs/dbraw/zinc/58/20/23/570582023.db2.gz GTKOYVDQRKDNFN-UHFFFAOYSA-N 0 0 364.401 4.795 40 5 FJBBRN O=C(Nc1ccc(F)cc1)/C(=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000408907162 570696946 /nfs/dbraw/zinc/69/69/46/570696946.db2.gz LSVRAFHXJIRMTE-XSFVSMFZSA-N 0 0 362.360 4.913 40 5 FJBBRN COc1cccc(NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)c1 ZINC000408921068 570699261 /nfs/dbraw/zinc/69/92/61/570699261.db2.gz CJKVVJZKKZDTRO-KGENOOAVSA-N 0 0 374.396 4.783 40 5 FJBBRN Cc1ccc(C)c2sc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)nc21 ZINC000004331461 570702585 /nfs/dbraw/zinc/70/25/85/570702585.db2.gz OXPANVVPUCSGNC-UHFFFAOYSA-N 0 0 361.810 4.727 40 5 FJBBRN C[C@H]1Cc2ccccc2N1C(=S)Nc1cc2ncccc2c2cccnc12 ZINC000408976765 570706546 /nfs/dbraw/zinc/70/65/46/570706546.db2.gz SBCJVBGTGIVRPL-AWEZNQCLSA-N 0 0 370.481 4.931 40 5 FJBBRN C[C@@H]1Cc2ccccc2N1C(=S)Nc1cc2ncccc2c2cccnc12 ZINC000408976767 570706599 /nfs/dbraw/zinc/70/65/99/570706599.db2.gz SBCJVBGTGIVRPL-CQSZACIVSA-N 0 0 370.481 4.931 40 5 FJBBRN CN(C(=O)c1ccc2[nH]c3nc4ccccc4nc3c2c1)c1ccccc1 ZINC000408977160 570706638 /nfs/dbraw/zinc/70/66/38/570706638.db2.gz VQFYVFYGUUGIRX-UHFFFAOYSA-N 0 0 352.397 4.541 40 5 FJBBRN O=C(NCc1ccccc1)Nc1ccc2[nH]c3nc4ccccc4nc3c2c1 ZINC000409002566 570711491 /nfs/dbraw/zinc/71/14/91/570711491.db2.gz VBPNKQIYCMXNME-UHFFFAOYSA-N 0 0 367.412 4.586 40 5 FJBBRN Cc1ccc(NC(=O)CSc2cccc3ccccc32)cc1[N+](=O)[O-] ZINC000409183869 570737157 /nfs/dbraw/zinc/73/71/57/570737157.db2.gz UINSHGUALDJBHR-UHFFFAOYSA-N 0 0 352.415 4.787 40 5 FJBBRN COc1ccc([N+](=O)[O-])cc1[C@@H]1Nc2ccc(Cl)cc2[C@@H]2OCCC[C@H]12 ZINC000008165897 570795035 /nfs/dbraw/zinc/79/50/35/570795035.db2.gz XATCZYCSTBXTIU-UPRAQXHNSA-N 0 0 374.824 4.891 40 5 FJBBRN O=C(Nc1ccc(OC2CCCC2)cc1)c1cc([N+](=O)[O-])ccc1Cl ZINC000013649578 570837638 /nfs/dbraw/zinc/83/76/38/570837638.db2.gz CAWMJPBJTUPAQU-UHFFFAOYSA-N 0 0 360.797 4.822 40 5 FJBBRN O=[N+]([O-])c1c(Cl)nc2c(Br)cc(Cl)cc2c1Cl ZINC000095098223 570850588 /nfs/dbraw/zinc/85/05/88/570850588.db2.gz OFJLWUFVOGVZNF-UHFFFAOYSA-N 0 0 356.390 4.866 40 5 FJBBRN Cc1cc(=O)c2cc3ccc4c5[nH]c(C)cc(=O)c5cc5ccc(c2[nH]1)c3c54 ZINC000016940446 570863278 /nfs/dbraw/zinc/86/32/78/570863278.db2.gz PXGNNMKMMSGLNY-UHFFFAOYSA-N 0 0 364.404 4.884 40 5 FJBBRN COc1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2Cl)cc1[N+](=O)[O-] ZINC000015540872 570863705 /nfs/dbraw/zinc/86/37/05/570863705.db2.gz HWBWBJFVDVVXDB-UHFFFAOYSA-N 0 0 374.702 4.528 40 5 FJBBRN CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000223019049 571045174 /nfs/dbraw/zinc/04/51/74/571045174.db2.gz FJUCHWURZQBCHO-KRWDZBQOSA-N 0 0 362.813 4.661 40 5 FJBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Oc1cc(C)c(Cl)c(C)c1 ZINC000040913276 571103927 /nfs/dbraw/zinc/10/39/27/571103927.db2.gz VOAKMJGDFLTSGK-CYBMUJFWSA-N 0 0 362.813 4.579 40 5 FJBBRN COc1ccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)c([N+](=O)[O-])c1 ZINC000006181695 571149291 /nfs/dbraw/zinc/14/92/91/571149291.db2.gz OKLNFUYJICSJMC-UHFFFAOYSA-N 0 0 356.165 4.554 40 5 FJBBRN CCC1(CC)C[C@H](NC(=O)c2ccc(C)c([N+](=O)[O-])c2)c2ccccc2O1 ZINC000223647578 571160257 /nfs/dbraw/zinc/16/02/57/571160257.db2.gz VDPZPOIJUUDJHG-KRWDZBQOSA-N 0 0 368.433 4.716 40 5 FJBBRN C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccc2c(c1)CCCC2 ZINC000222907312 571166037 /nfs/dbraw/zinc/16/60/37/571166037.db2.gz ZUXSEKSYLVVPDP-LBPRGKRZSA-N 0 0 358.825 4.618 40 5 FJBBRN O=C(NC1CCCCC1)/C(=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000168760291 571167967 /nfs/dbraw/zinc/16/79/67/571167967.db2.gz BCCWXTMJRMLECJ-HMMYKYKNSA-N 0 0 350.418 4.584 40 5 FJBBRN Cc1cc2occ(CC(=O)Nc3c(C)cc(C)cc3[N+](=O)[O-])c2c(C)c1 ZINC000015230866 571202294 /nfs/dbraw/zinc/20/22/94/571202294.db2.gz JJNSTJKMWYHHTO-UHFFFAOYSA-N 0 0 352.390 4.756 40 5 FJBBRN CC1CCN(C(=S)c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)CC1 ZINC000107825555 571306962 /nfs/dbraw/zinc/30/69/62/571306962.db2.gz CSCXGVKDAMQBQO-UHFFFAOYSA-N 0 0 370.474 4.581 40 5 FJBBRN S=C(NCCC1=CCCCC1)Nc1ccc2nc3ccccc3nc2c1 ZINC000107788929 571306976 /nfs/dbraw/zinc/30/69/76/571306976.db2.gz ZWJCTPRVVLEULF-UHFFFAOYSA-N 0 0 362.502 4.960 40 5 FJBBRN O=C1OC[C@H](Cc2ccccc2)N1c1ccc(-c2ccccc2[N+](=O)[O-])cc1 ZINC000069593649 571322756 /nfs/dbraw/zinc/32/27/56/571322756.db2.gz SKBWHYGRLXEXDI-IBGZPJMESA-N 0 0 374.396 4.830 40 5 FJBBRN CC(C)C[C@@H](NC(=O)CSCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000022518971 571336963 /nfs/dbraw/zinc/33/69/63/571336963.db2.gz RYUYPDFDSANEML-LJQANCHMSA-N 0 0 372.490 4.732 40 5 FJBBRN CC[C@@H](Oc1cccc(C)c1C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000022518348 571336979 /nfs/dbraw/zinc/33/69/79/571336979.db2.gz IIQFWEIEQQCUPA-MRXNPFEDSA-N 0 0 362.813 4.661 40 5 FJBBRN O=C(CSc1ccc2ccccc2c1)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000003382601 571348754 /nfs/dbraw/zinc/34/87/54/571348754.db2.gz ABGYJCYIAAWPAG-UHFFFAOYSA-N 0 0 356.378 4.618 40 5 FJBBRN CC(C)(C)c1ccc(OCCNc2nc3ccc([N+](=O)[O-])cc3s2)cc1 ZINC000059461241 571357259 /nfs/dbraw/zinc/35/72/59/571357259.db2.gz HISBAWBIXZDYDR-UHFFFAOYSA-N 0 0 371.462 4.993 40 5 FJBBRN O=C(c1cccs1)N(CCc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000059488866 571357417 /nfs/dbraw/zinc/35/74/17/571357417.db2.gz KWYVYJALZFGYEZ-UHFFFAOYSA-N 0 0 352.415 4.546 40 5 FJBBRN CCC1(CC)C[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2C)c2ccccc2O1 ZINC000225601592 222853667 /nfs/dbraw/zinc/85/36/67/222853667.db2.gz TWWKOOALLMFYIR-QGZVFWFLSA-N 0 0 368.433 4.716 40 5 FJBBRN COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000005701906 204222430 /nfs/dbraw/zinc/22/24/30/204222430.db2.gz UXODTUGHJVFGHL-AATRIKPKSA-N 0 0 367.188 4.562 40 5 FJBBRN O=C(OCCN=c1c2ccccc2ccc2ccccc21)c1ccccc1 ZINC000006003057 204234009 /nfs/dbraw/zinc/23/40/09/204234009.db2.gz YANJNZAJRMMXON-UHFFFAOYSA-N 0 0 353.421 4.751 40 5 FJBBRN COc1ccc(OC)c2c1[C@H]1CCCC[C@H]1O[C@@H]2c1cccc([N+](=O)[O-])c1 ZINC000006668169 204259607 /nfs/dbraw/zinc/25/96/07/204259607.db2.gz XQYSWHWKNJFTCV-GCKMJXCFSA-N 0 0 369.417 4.758 40 5 FJBBRN CC[C@H](Oc1cccc2ccccc21)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000020489791 204726172 /nfs/dbraw/zinc/72/61/72/204726172.db2.gz YGIQINYDJKGFGW-IBGZPJMESA-N 0 0 364.401 4.853 40 5 FJBBRN C[C@@H](C(=O)Nc1ccc2[nH]c3ccccc3c2c1)c1ccc([N+](=O)[O-])cc1 ZINC000044781929 205110699 /nfs/dbraw/zinc/11/06/99/205110699.db2.gz HEBOGRSWFPPLIN-CYBMUJFWSA-N 0 0 359.385 4.972 40 5 FJBBRN O=[N+]([O-])c1ccc2o/c(=N\c3ccccc3)c(Nc3ccccc3)nc2c1 ZINC000104311864 206000026 /nfs/dbraw/zinc/00/00/26/206000026.db2.gz OSQWYROEDCNOBF-XDOYNYLZSA-N 0 0 358.357 4.712 40 5 FJBBRN CCOc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1[N+](=O)[O-] ZINC000000817500 206133886 /nfs/dbraw/zinc/13/38/86/206133886.db2.gz FNDAKWZOUKIDCW-UHFFFAOYSA-N 0 0 355.177 4.553 40 5 FJBBRN O=C(Nc1ccc2oc(Cc3ccccc3)nc2c1)c1cccc([N+](=O)[O-])c1 ZINC000010120052 206254648 /nfs/dbraw/zinc/25/46/48/206254648.db2.gz NBHLEETXDWXCPL-UHFFFAOYSA-N 0 0 373.368 4.579 40 5 FJBBRN Cc1noc(/C=C\c2cccc(OCc3ccc(F)cc3)c2)c1[N+](=O)[O-] ZINC000098031075 206545936 /nfs/dbraw/zinc/54/59/36/206545936.db2.gz XXRVSZHHAKRCMV-YFHOEESVSA-N 0 0 354.337 4.780 40 5 FJBBRN O=[N+]([O-])c1ccc2o/c(=N/c3ccccc3)c(Nc3ccccc3)nc2c1 ZINC000018067443 211189733 /nfs/dbraw/zinc/18/97/33/211189733.db2.gz OSQWYROEDCNOBF-LSDHQDQOSA-N 0 0 358.357 4.712 40 5 FJBBRN C[C@H]1CCCCN1c1cc(NC(=O)c2ccccc2)c(Cl)cc1[N+](=O)[O-] ZINC000072229105 136143758 /nfs/dbraw/zinc/14/37/58/136143758.db2.gz ZNVQRAWEIJKQBU-ZDUSSCGKSA-N 0 0 373.840 4.879 40 5 FJBBRN O=C(Nc1nc2ccccc2s1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000005740110 263343090 /nfs/dbraw/zinc/34/30/90/263343090.db2.gz KZAHKIXXEYXJGE-UHFFFAOYSA-N 0 0 365.370 4.717 40 5 FJBBRN CCCCOc1cccc(C(=O)Nc2cc(Cl)c([N+](=O)[O-])cc2C)c1 ZINC000009141766 263359881 /nfs/dbraw/zinc/35/98/81/263359881.db2.gz YKOAFZWRXKDKFL-UHFFFAOYSA-N 0 0 362.813 4.988 40 5 FJBBRN Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)COc1ccc(C(C)C)cc1 ZINC000009141757 263360210 /nfs/dbraw/zinc/36/02/10/263360210.db2.gz MAGQJAOOCGNHRQ-UHFFFAOYSA-N 0 0 362.813 4.698 40 5 FJBBRN O=C(Nc1ccc(F)cc1)c1sc2c(cccc2[N+](=O)[O-])c1Cl ZINC000021595879 263383713 /nfs/dbraw/zinc/38/37/13/263383713.db2.gz SXPUKMFNYNALJC-UHFFFAOYSA-N 0 0 350.758 4.854 40 5 FJBBRN Cc1c(NC(=O)C(C)(C)Oc2ccc(C(C)(C)C)cc2)cccc1[N+](=O)[O-] ZINC000021595651 263383793 /nfs/dbraw/zinc/38/37/93/263383793.db2.gz HUAUJXRKNMPMFS-UHFFFAOYSA-N 0 0 370.449 4.997 40 5 FJBBRN CCCc1sc(NC(=O)c2ccc([N+](=O)[O-])cc2)nc1-c1ccccc1 ZINC000059482648 263420651 /nfs/dbraw/zinc/42/06/51/263420651.db2.gz KMKXHPILXGTSSF-UHFFFAOYSA-N 0 0 367.430 4.923 40 5 FJBBRN COc1ccc(NC(=S)Nc2cc3ncccc3c3cccnc23)cc1 ZINC000408973252 263511817 /nfs/dbraw/zinc/51/18/17/263511817.db2.gz ADDYTSKVHPSNHT-UHFFFAOYSA-N 0 0 360.442 4.601 40 5 FJBBRN COc1cccc(NC(=S)Nc2cc3cccnc3c3ncccc23)c1 ZINC000408976068 263512779 /nfs/dbraw/zinc/51/27/79/263512779.db2.gz PBVZWSIEUJLAJO-UHFFFAOYSA-N 0 0 360.442 4.601 40 5 FJBBRN Cc1noc(/C=C\c2ccc(-c3ccc(C)c([N+](=O)[O-])c3)o2)c1[N+](=O)[O-] ZINC000408544917 570567672 /nfs/dbraw/zinc/56/76/72/570567672.db2.gz WBBKFDFRBRQJKI-VURMDHGXSA-N 0 0 355.306 4.538 40 5 FJBBRN O=[N+]([O-])c1cccc(NCc2ccccc2OCc2ccccc2F)c1 ZINC000408556890 570568046 /nfs/dbraw/zinc/56/80/46/570568046.db2.gz KRMFWBJUTPISLO-UHFFFAOYSA-N 0 0 352.365 4.925 40 5 FJBBRN CCCOc1ccc(CNc2cccc([N+](=O)[O-])c2)cc1Br ZINC000408560263 570568108 /nfs/dbraw/zinc/56/81/08/570568108.db2.gz YGRRKZNUXOCNCB-UHFFFAOYSA-N 0 0 365.227 4.758 40 5 FJBBRN O=[N+]([O-])c1ccc(NCc2cccc(OCc3ccc(F)cc3)c2)cc1 ZINC000408606486 570569895 /nfs/dbraw/zinc/56/98/95/570569895.db2.gz IBGQDYQCXNAPGP-UHFFFAOYSA-N 0 0 352.365 4.925 40 5 FJBBRN CC1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2Cl)CC1 ZINC000408628795 570570245 /nfs/dbraw/zinc/57/02/45/570570245.db2.gz ALVRCINZDVRAJM-UHFFFAOYSA-N 0 0 373.840 4.737 40 5 FJBBRN COc1ccc(NC(=O)c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)cc1 ZINC000408616818 570570430 /nfs/dbraw/zinc/57/04/30/570570430.db2.gz AAKLOLMLUPOCIN-UHFFFAOYSA-N 0 0 372.764 4.769 40 5 FJBBRN C[C@@H]1CCCCN1c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000408629334 570571569 /nfs/dbraw/zinc/57/15/69/570571569.db2.gz XLFFTQDIJVZJFP-CYBMUJFWSA-N 0 0 373.840 4.879 40 5 FJBBRN CC(C)(C)c1ccccc1OCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000408681779 570572332 /nfs/dbraw/zinc/57/23/32/570572332.db2.gz ZBTUQQJTBKXLEH-UHFFFAOYSA-N 0 0 362.813 4.563 40 5 FJBBRN Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2/SC(=O)N(C(C)C)C2=O)o1 ZINC000409018891 570579334 /nfs/dbraw/zinc/57/93/34/570579334.db2.gz YAPHTAQBFAORMQ-CXUHLZMHSA-N 0 0 372.402 4.608 40 5 FJBBRN CC(C)Cn1c(SCc2cccc([N+](=O)[O-])c2)nnc1-c1ccccc1 ZINC000409109065 570581691 /nfs/dbraw/zinc/58/16/91/570581691.db2.gz XIONOGVFTZTNGZ-UHFFFAOYSA-N 0 0 368.462 4.802 40 5 FJBBRN Cc1c(-c2ccc(C(=O)n3cc(C=O)c4ccccc43)o2)cccc1[N+](=O)[O-] ZINC000226768509 570611277 /nfs/dbraw/zinc/61/12/77/570611277.db2.gz FEXCBDCWPJSTLA-UHFFFAOYSA-N 0 0 374.352 4.619 40 5 FJBBRN Cc1c(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)cccc1[N+](=O)[O-] ZINC000005724496 570634426 /nfs/dbraw/zinc/63/44/26/570634426.db2.gz DOBOUVUWJGFTGJ-UHFFFAOYSA-N 0 0 358.703 4.828 40 5 FJBBRN Cc1ccc(C(=O)Nc2ccc3nc4[nH]c5ccccc5c4nc3c2)cc1 ZINC000408975265 570705893 /nfs/dbraw/zinc/70/58/93/570705893.db2.gz LNINNTDCIBPREW-UHFFFAOYSA-N 0 0 352.397 4.825 40 5 FJBBRN COc1cccc(NC(=O)c2ccc3[nH]c4nc5ccccc5nc4c3c2)c1 ZINC000408975759 570706194 /nfs/dbraw/zinc/70/61/94/570706194.db2.gz MUHVWJHOBTXJCC-UHFFFAOYSA-N 0 0 368.396 4.525 40 5 FJBBRN COc1ccc(N(C)C(=S)Nc2cc3cccnc3c3ncccc23)cc1 ZINC000408976466 570706651 /nfs/dbraw/zinc/70/66/51/570706651.db2.gz RJPHHDWIHFYGGG-UHFFFAOYSA-N 0 0 374.469 4.625 40 5 FJBBRN O=C(Nc1cc2ccncc2c2ncccc12)N1CC[C@@H](c2ccccc2)C1 ZINC000408978154 570707048 /nfs/dbraw/zinc/70/70/48/570707048.db2.gz YLIGNMQZFQGDBY-GOSISDBHSA-N 0 0 368.440 4.804 40 5 FJBBRN Cc1cc(C(=O)Nc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-] ZINC000014258360 570846467 /nfs/dbraw/zinc/84/64/67/570846467.db2.gz OBMVDDJVJLKETM-UHFFFAOYSA-N 0 0 358.703 4.828 40 5 FJBBRN O=C(CCCOc1ccc(Cl)cc1)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000014399327 570849529 /nfs/dbraw/zinc/84/95/29/570849529.db2.gz AXGXGABTLWEZGO-UHFFFAOYSA-N 0 0 369.204 4.699 40 5 FJBBRN CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000223018770 571045098 /nfs/dbraw/zinc/04/50/98/571045098.db2.gz GQCMCTZBZJYUHS-KRWDZBQOSA-N 0 0 362.813 4.661 40 5 FJBBRN CC[C@@H](NC(=O)/C=C/c1cccc([N+](=O)[O-])c1)c1ccc2c(c1)CCCC2 ZINC000223014118 571045184 /nfs/dbraw/zinc/04/51/84/571045184.db2.gz NIOJEPGAJHGJNK-QYFOZDBKSA-N 0 0 364.445 4.754 40 5 FJBBRN COc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCCC2)cc1C ZINC000225537863 571048040 /nfs/dbraw/zinc/04/80/40/571048040.db2.gz BUELCARWCAVYNK-UHFFFAOYSA-N 0 0 368.433 4.752 40 5 FJBBRN O=C(Nc1ccc(F)c(Cl)c1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000039764430 571065598 /nfs/dbraw/zinc/06/55/98/571065598.db2.gz BOUMWHSVNXPMIM-UHFFFAOYSA-N 0 0 360.728 4.900 40 5 FJBBRN Cc1[nH]c2ccccc2c1[C@@H](Nc1cccc([N+](=O)[O-])c1)c1cccnc1 ZINC000001448694 571104346 /nfs/dbraw/zinc/10/43/46/571104346.db2.gz VWMRPZNJWHSSFH-NRFANRHFSA-N 0 0 358.401 4.981 40 5 FJBBRN Cc1c(NC(=O)c2ccccc2CCc2ccccc2)cccc1[N+](=O)[O-] ZINC000013688362 571111127 /nfs/dbraw/zinc/11/11/27/571111127.db2.gz TZJRGNIFKWXYDI-UHFFFAOYSA-N 0 0 360.413 4.941 40 5 FJBBRN CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000222922033 571170565 /nfs/dbraw/zinc/17/05/65/571170565.db2.gz QEQMQUILZQIMGB-IBGZPJMESA-N 0 0 370.449 4.997 40 5 FJBBRN Cc1ccc(Oc2ccc(NC(=O)Cc3ccccc3[N+](=O)[O-])cc2)cc1 ZINC000006460598 571296476 /nfs/dbraw/zinc/29/64/76/571296476.db2.gz TUHNCCQYTMOZDR-UHFFFAOYSA-N 0 0 362.385 4.877 40 5 FJBBRN O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1cccs1 ZINC000006527134 571296666 /nfs/dbraw/zinc/29/66/66/571296666.db2.gz QNRDKOSNRINHBZ-UHFFFAOYSA-N 0 0 355.371 4.806 40 5 FJBBRN C[C@H](NC(=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1 ZINC000008434707 571301440 /nfs/dbraw/zinc/30/14/40/571301440.db2.gz PMMMZJFXAAMIKV-HNNXBMFYSA-N 0 0 362.385 4.878 40 5 FJBBRN CCOc1ccc(NC(=S)Nc2cc3cccnc3c3cccnc23)cc1 ZINC000104347644 571306754 /nfs/dbraw/zinc/30/67/54/571306754.db2.gz FHEHIPMURGFVAO-UHFFFAOYSA-N 0 0 374.469 4.991 40 5 FJBBRN CC(=O)c1ccc(NC(=S)Nc2cc3cccnc3c3cccnc23)cc1 ZINC000104376580 571306788 /nfs/dbraw/zinc/30/67/88/571306788.db2.gz CBPOGSFNEDKGKR-UHFFFAOYSA-N 0 0 372.453 4.795 40 5 FJBBRN CC1CCN(C(=O)Nc2ccc3[nH]c4nc5ccccc5nc4c3c2)CC1 ZINC000109156929 571307076 /nfs/dbraw/zinc/30/70/76/571307076.db2.gz RUYAAKZXBXNEDI-UHFFFAOYSA-N 0 0 359.433 4.528 40 5 FJBBRN Cc1cc(O[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)ccc1Cl ZINC000011342831 571321884 /nfs/dbraw/zinc/32/18/84/571321884.db2.gz TXXXELSVUOBGLC-JTQLQIEISA-N 0 0 369.204 4.616 40 5 FJBBRN CCSc1ccccc1NC(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000030862547 571349170 /nfs/dbraw/zinc/34/91/70/571349170.db2.gz VVWDJENNLGGETK-UHFFFAOYSA-N 0 0 362.476 4.579 40 5 FJBBRN O=C(c1ccco1)N(Cc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000000853520 219330846 /nfs/dbraw/zinc/33/08/46/219330846.db2.gz ZUHOURBGNLTGOZ-UHFFFAOYSA-N 0 0 356.765 4.688 40 5 FJBBRN O=C(Nc1cccc(-c2nc3ccccc3s2)c1)c1ccc([N+](=O)[O-])o1 ZINC000000830429 219327957 /nfs/dbraw/zinc/32/79/57/219327957.db2.gz BUBOVCVFKJMRFM-UHFFFAOYSA-N 0 0 365.370 4.717 40 5 FJBBRN Cc1c(C=O)c2ccccc2n1C(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000226769225 222887609 /nfs/dbraw/zinc/88/76/09/222887609.db2.gz QQIKAKMTFJKCRL-UHFFFAOYSA-N 0 0 374.352 4.619 40 5 FJBBRN COc1ccc(OC)c2c1[C@H]1CCCC[C@H]1O[C@@H]2c1ccc([N+](=O)[O-])cc1 ZINC000006668165 204259448 /nfs/dbraw/zinc/25/94/48/204259448.db2.gz MXJZASFYLXWVPX-GCKMJXCFSA-N 0 0 369.417 4.758 40 5 FJBBRN Cc1ccc(S[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000011400330 204408574 /nfs/dbraw/zinc/40/85/74/204408574.db2.gz VXKYDJUICUPHPI-LLVKDONJSA-N 0 0 350.827 4.676 40 5 FJBBRN C[C@H](NC(=O)/C=C/c1cccc([N+](=O)[O-])c1)c1ccc(C(C)(C)C)cc1 ZINC000013670892 204543070 /nfs/dbraw/zinc/54/30/70/204543070.db2.gz DOKFLVALIYZPMG-NRUITVPNSA-N 0 0 352.434 4.783 40 5 FJBBRN Cc1c(NC(=O)c2cccc(OCc3ccccc3)c2)cccc1[N+](=O)[O-] ZINC000019164750 204670026 /nfs/dbraw/zinc/67/00/26/204670026.db2.gz SCTQIYCDEZWLIN-UHFFFAOYSA-N 0 0 362.385 4.735 40 5 FJBBRN C[C@H](C(=O)Nc1ccc2[nH]c3ccccc3c2c1)c1ccc([N+](=O)[O-])cc1 ZINC000044781925 211801549 /nfs/dbraw/zinc/80/15/49/211801549.db2.gz HEBOGRSWFPPLIN-ZDUSSCGKSA-N 0 0 359.385 4.972 40 5 FJBBRN O=C(Nc1cccc([N+](=O)[O-])c1)c1cccc2c(Br)cccc12 ZINC000000834924 206136422 /nfs/dbraw/zinc/13/64/22/206136422.db2.gz JOXMFOGOUPHIQB-UHFFFAOYSA-N 0 0 371.190 4.763 40 5 FJBBRN O=c1c2ccccc2c2ccccc2c(=O)n1-c1ccc(Cl)cc1Cl ZINC000004487624 206178365 /nfs/dbraw/zinc/17/83/65/206178365.db2.gz BIIWIXDJTHLCTF-UHFFFAOYSA-N 0 0 368.219 4.811 40 5 FJBBRN CC[C@H](NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)CCCC2 ZINC000223014331 206431603 /nfs/dbraw/zinc/43/16/03/206431603.db2.gz UPNRAFOCJSWNCR-PBAKHKOTSA-N 0 0 364.445 4.754 40 5 FJBBRN Cc1ccccc1[C@@H](NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000020460086 211280842 /nfs/dbraw/zinc/28/08/42/211280842.db2.gz IFCRLRUISAFHAH-IGVGMEOHSA-N 0 0 372.424 4.822 40 5 FJBBRN O=C(Nc1ccccc1[N+](=O)[O-])c1cccc2c(Br)cccc12 ZINC000005584134 210630704 /nfs/dbraw/zinc/63/07/04/210630704.db2.gz LULOJWCCLLYBEE-UHFFFAOYSA-N 0 0 371.190 4.763 40 5 FJBBRN O=c1oc2ccccc2c2c1Cc1c(=O)c3c(ccc4ccccc43)oc1O2 ZINC000001572553 210359282 /nfs/dbraw/zinc/35/92/82/210359282.db2.gz XOWMMJHWRVUNCJ-UHFFFAOYSA-N 0 0 368.344 4.749 40 5 FJBBRN CC1CCN(c2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)cc2)CC1 ZINC000006348800 132832103 /nfs/dbraw/zinc/83/21/03/132832103.db2.gz UMFCEXSDZPRULZ-UHFFFAOYSA-N 0 0 373.840 4.737 40 5 FJBBRN Cc1ccc(N2C(=O)Cc3ccccc3[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000070503633 136138455 /nfs/dbraw/zinc/13/84/55/136138455.db2.gz QTWODZHSKJWAGO-QFIPXVFZSA-N 0 0 358.397 4.582 40 5 FJBBRN Cc1cccc(C(=O)Nc2cc(N3CCCCC3)c([N+](=O)[O-])cc2Cl)c1 ZINC000072229096 136143866 /nfs/dbraw/zinc/14/38/66/136143866.db2.gz LHCYSACMIFXNAN-UHFFFAOYSA-N 0 0 373.840 4.799 40 5 FJBBRN Cc1c(NC(=O)/C=C/c2ccc(Cl)cc2Cl)cccc1[N+](=O)[O-] ZINC000008330961 263354541 /nfs/dbraw/zinc/35/45/41/263354541.db2.gz GPIPKYXPPGNMGI-SOFGYWHQSA-N 0 0 351.189 4.862 40 5 FJBBRN COc1cc([N+](=O)[O-])ccc1NC(=O)/C=C/c1ccc(-c2ccccc2)o1 ZINC000059477520 263420334 /nfs/dbraw/zinc/42/03/34/263420334.db2.gz CDGUMFAQJIIACS-FMIVXFBMSA-N 0 0 364.357 4.515 40 5 FJBBRN Cc1ccc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)cc1[N+](=O)[O-] ZINC000409133877 263531859 /nfs/dbraw/zinc/53/18/59/263531859.db2.gz URHGEAMUYPGWAC-MHWRWJLKSA-N 0 0 360.435 4.520 40 5 FJBBRN C[C@@H]1Cc2ccccc2N1C(=S)Nc1cc2cccnc2c2ncccc12 ZINC000409319874 263548190 /nfs/dbraw/zinc/54/81/90/263548190.db2.gz NAPZMHDKNCEHRD-CQSZACIVSA-N 0 0 370.481 4.931 40 5 FJBBRN Cc1ccc(OCC(=O)Nc2cc(Cl)c([N+](=O)[O-])cc2Cl)c(C)c1 ZINC000072229504 570535186 /nfs/dbraw/zinc/53/51/86/570535186.db2.gz XEYIFYDAIAYLRX-UHFFFAOYSA-N 0 0 369.204 4.536 40 5 FJBBRN CCN(CC)c1cc(NC(=O)c2ccccc2C)c(Cl)cc1[N+](=O)[O-] ZINC000072229110 570535358 /nfs/dbraw/zinc/53/53/58/570535358.db2.gz POUUCYNIANOMQF-UHFFFAOYSA-N 0 0 361.829 4.655 40 5 FJBBRN Cc1c(NC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)cccc1[N+](=O)[O-] ZINC000014665191 570537635 /nfs/dbraw/zinc/53/76/35/570537635.db2.gz ZUMYRFNFISPMAL-CQSZACIVSA-N 0 0 356.422 4.607 40 5 FJBBRN Cc1noc(/C=C\c2ccccc2OCc2cccc(C)c2)c1[N+](=O)[O-] ZINC000408544423 570567676 /nfs/dbraw/zinc/56/76/76/570567676.db2.gz SZGSDWYDKWOZJE-KHPPLWFESA-N 0 0 350.374 4.949 40 5 FJBBRN Cc1noc(/C=C\c2ccccc2OCCOc2ccccc2)c1[N+](=O)[O-] ZINC000408544521 570567719 /nfs/dbraw/zinc/56/77/19/570567719.db2.gz UNAORNLSTQDPEH-QXMHVHEDSA-N 0 0 366.373 4.519 40 5 FJBBRN O=[N+]([O-])c1cccc(NCc2ccc(OCc3cccc(F)c3)cc2)c1 ZINC000408556098 570568082 /nfs/dbraw/zinc/56/80/82/570568082.db2.gz HOLDKXWVTMAGSK-UHFFFAOYSA-N 0 0 352.365 4.925 40 5 FJBBRN CCCOc1c(Cl)cc(CNc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000408607283 570570016 /nfs/dbraw/zinc/57/00/16/570570016.db2.gz KNGJWHASVCKQBH-UHFFFAOYSA-N 0 0 350.802 4.658 40 5 FJBBRN O=C(Nc1ccccc1OC(F)F)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000408619509 570570139 /nfs/dbraw/zinc/57/01/39/570570139.db2.gz CLYKRNBTSHDRLM-UHFFFAOYSA-N 0 0 374.299 4.709 40 5 FJBBRN Cc1ccc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1Cl ZINC000408621226 570570556 /nfs/dbraw/zinc/57/05/56/570570556.db2.gz KSKTXNVYTZSNGQ-UHFFFAOYSA-N 0 0 373.821 4.932 40 5 FJBBRN Cc1nc(-c2ccc(C(=O)Nc3ccc(C)cc3[N+](=O)[O-])cc2)cs1 ZINC000408625105 570570578 /nfs/dbraw/zinc/57/05/78/570570578.db2.gz WUYROPHYMZOISJ-UHFFFAOYSA-N 0 0 353.403 4.587 40 5 FJBBRN Cc1nc(-c2ccc(C(=O)Nc3cccc([N+](=O)[O-])c3C)cc2)cs1 ZINC000408618846 570582995 /nfs/dbraw/zinc/58/29/95/570582995.db2.gz HEXLOQKLFCMULL-UHFFFAOYSA-N 0 0 353.403 4.587 40 5 FJBBRN Cc1cccc(OC(=O)c2ccc3nc4[nH]c5ccccc5c4nc3c2)c1 ZINC000408722154 570676218 /nfs/dbraw/zinc/67/62/18/570676218.db2.gz POGLZQUPEJVRBX-UHFFFAOYSA-N 0 0 353.381 4.792 40 5 FJBBRN CN(Cc1ccccc1)C(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000408907456 570697537 /nfs/dbraw/zinc/69/75/37/570697537.db2.gz OLKOWAUENAVKHB-CJLVFECKSA-N 0 0 372.424 4.794 40 5 FJBBRN CN(C)c1ccc(NC(=S)Nc2cc3cccnc3c3cccnc23)cc1 ZINC000408974230 570705452 /nfs/dbraw/zinc/70/54/52/570705452.db2.gz DMPOZENAUJHGHK-UHFFFAOYSA-N 0 0 373.485 4.658 40 5 FJBBRN COc1ccc(N(C)C(=S)Nc2ccc3nc4ccccc4nc3c2)cc1 ZINC000408977278 570706669 /nfs/dbraw/zinc/70/66/69/570706669.db2.gz WOHWLNGUDMBQNW-UHFFFAOYSA-N 0 0 374.469 4.625 40 5 FJBBRN S=C(NCCC1=CCCCC1)Nc1cc2ccncc2c2ncccc12 ZINC000408977549 570706906 /nfs/dbraw/zinc/70/69/06/570706906.db2.gz WPMUUBMGWOEESV-UHFFFAOYSA-N 0 0 362.502 4.960 40 5 FJBBRN CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1cc([N+](=O)[O-])ccc1Cl ZINC000148894945 570766269 /nfs/dbraw/zinc/76/62/69/570766269.db2.gz ZWCYJSVQWQUCIK-UHFFFAOYSA-N 0 0 372.805 4.925 40 5 FJBBRN CC[C@H](NC(=O)c1ccc(C)c([N+](=O)[O-])c1)c1ccc2c(c1)CCCC2 ZINC000223015732 571045175 /nfs/dbraw/zinc/04/51/75/571045175.db2.gz MDTBFKXETPBLOB-IBGZPJMESA-N 0 0 352.434 4.663 40 5 FJBBRN COc1cc(C)c([C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2C)cc1C(C)C ZINC000223264091 571067518 /nfs/dbraw/zinc/06/75/18/571067518.db2.gz PZTLZCYFEGBRGX-OAHLLOKOSA-N 0 0 370.449 4.835 40 5 FJBBRN COc1cc(CNc2ccccc2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237287605 571110059 /nfs/dbraw/zinc/11/00/59/571110059.db2.gz ATGAOTXXLGNOKO-UHFFFAOYSA-N 0 0 364.401 4.795 40 5 FJBBRN C[C@@H](Oc1cccc2ccccc21)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000013709524 571111386 /nfs/dbraw/zinc/11/13/86/571111386.db2.gz GCIZWYQXMDYUPH-GFCCVEGCSA-N 0 0 370.792 4.807 40 5 FJBBRN O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1ccc(F)cc1 ZINC000001053152 571144728 /nfs/dbraw/zinc/14/47/28/571144728.db2.gz CSWKNVVBJUHCLS-ZRDIBKRKSA-N 0 0 352.321 4.646 40 5 FJBBRN CCc1ccc(O[C@@H](CC)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000222890008 571165599 /nfs/dbraw/zinc/16/55/99/571165599.db2.gz ABSRMRCTERDSDF-KRWDZBQOSA-N 0 0 362.813 4.607 40 5 FJBBRN O=C(OC1C(c2ccccc2)=C1c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000001707546 571165911 /nfs/dbraw/zinc/16/59/11/571165911.db2.gz QFVHYRHMAAOIST-UHFFFAOYSA-N 0 0 357.365 4.745 40 5 FJBBRN CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000222921724 571170315 /nfs/dbraw/zinc/17/03/15/571170315.db2.gz NCZJSNIUDBTLRZ-IBGZPJMESA-N 0 0 370.449 4.997 40 5 FJBBRN CCc1cccc(CC)c1NC(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000007093530 571260820 /nfs/dbraw/zinc/26/08/20/571260820.db2.gz VPBPNDXECOZPLW-UHFFFAOYSA-N 0 0 358.463 4.592 40 5 FJBBRN CCCOc1ccc(Br)cc1CNc1cccc([N+](=O)[O-])c1 ZINC000387287548 571282566 /nfs/dbraw/zinc/28/25/66/571282566.db2.gz ZZLONMRRCVTXPH-UHFFFAOYSA-N 0 0 365.227 4.758 40 5 FJBBRN Cc1cc(C)cc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c1 ZINC000007641888 571285188 /nfs/dbraw/zinc/28/51/88/571285188.db2.gz LQYOFNCAMIWLMN-UHFFFAOYSA-N 0 0 353.403 4.587 40 5 FJBBRN CC(=O)c1ccc(NC(=O)Nc2cc3ccncc3c3ncccc23)cc1 ZINC000006159092 571295252 /nfs/dbraw/zinc/29/52/52/571295252.db2.gz CRAOHSFYBJZXAP-UHFFFAOYSA-N 0 0 356.385 4.630 40 5 FJBBRN S=C(NCCC1=CCCCC1)Nc1cc2ncccc2c2cccnc12 ZINC000033786685 571305970 /nfs/dbraw/zinc/30/59/70/571305970.db2.gz QEJUAXRYXQSKDP-UHFFFAOYSA-N 0 0 362.502 4.960 40 5 FJBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCc1c(Cl)cccc1Cl ZINC000225351865 571320907 /nfs/dbraw/zinc/32/09/07/571320907.db2.gz QSOORVPGSVIGIM-UHFFFAOYSA-N 0 0 353.205 4.781 40 5 FJBBRN CC(C)(C)c1ccc(OCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000008907624 571320930 /nfs/dbraw/zinc/32/09/30/571320930.db2.gz BJLKVJSEILNFSK-UHFFFAOYSA-N 0 0 362.813 4.563 40 5 FJBBRN CC1CCN(c2ccc(C(=O)Nc3ccc(Cl)cc3)cc2[N+](=O)[O-])CC1 ZINC000057313026 571342476 /nfs/dbraw/zinc/34/24/76/571342476.db2.gz DHWRGJGNLJMHRR-UHFFFAOYSA-N 0 0 373.840 4.737 40 5 FJBBRN COc1ccc([C@H](CC(C)C)NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1 ZINC000030855022 571349043 /nfs/dbraw/zinc/34/90/43/571349043.db2.gz RBYCGTWVDKOREU-JCRIEJSWSA-N 0 0 368.433 4.520 40 5 FJBBRN O=C(Nc1ccccc1F)c1sc2c(cccc2[N+](=O)[O-])c1Cl ZINC000059294505 571356691 /nfs/dbraw/zinc/35/66/91/571356691.db2.gz PYKFIJUREXGNOJ-UHFFFAOYSA-N 0 0 350.758 4.854 40 5 FJBBRN Cc1cc2nc(SCc3c[nH]c4cc([N+](=O)[O-])ccc34)[nH]c2cc1C ZINC000059472546 571357316 /nfs/dbraw/zinc/35/73/16/571357316.db2.gz QCAKYFVGGIWQMY-UHFFFAOYSA-N 0 0 352.419 4.862 40 5 FJBBRN CCOc1ccc2nc(S[C@@H](C[N+](=O)[O-])c3ccccc3)sc2c1 ZINC000059489741 571357376 /nfs/dbraw/zinc/35/73/76/571357376.db2.gz HSJCMSGHGCVWIP-INIZCTEOSA-N 0 0 360.460 4.805 40 5 FJBBRN CC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1C)c1ccc2c(c1)CCCC2 ZINC000170555493 222594337 /nfs/dbraw/zinc/59/43/37/222594337.db2.gz WSWKPXHIQCUMAH-LJQANCHMSA-N 0 0 352.434 4.663 40 5 FJBBRN Cc1cccc(N(CC(=O)c2cccc([N+](=O)[O-])c2)C2=NCCCCC2)c1 ZINC000008414594 210097989 /nfs/dbraw/zinc/09/79/89/210097989.db2.gz QTQNMNBKPHOUDH-UHFFFAOYSA-N 0 0 365.433 4.565 40 5 FJBBRN Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2C)c1 ZINC000223119531 222766482 /nfs/dbraw/zinc/76/64/82/222766482.db2.gz YTQCNBKBMLUOCR-HNNXBMFYSA-N 0 0 356.422 4.741 40 5 FJBBRN CCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)cc1C ZINC000225507584 222846998 /nfs/dbraw/zinc/84/69/98/222846998.db2.gz DUBJUMXCBSNSLS-UHFFFAOYSA-N 0 0 368.433 4.752 40 5 FJBBRN O=C(Nc1ccc(OC2CCCC2)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000010542601 219906768 /nfs/dbraw/zinc/90/67/68/219906768.db2.gz SFLMVJGTJQCUGV-UHFFFAOYSA-N 0 0 360.797 4.822 40 5 FJBBRN C[C@H](C(=O)c1ccc2cc(Br)c3ccccc3c2c1)N(C)C ZINC000001593471 204013813 /nfs/dbraw/zinc/01/38/13/204013813.db2.gz WLGYGMHEMOYARN-GFCCVEGCSA-N 0 0 356.263 4.888 40 5 FJBBRN O=C(OC[C@@H]1[C@H](c2ccccc2)[C@@H]2CC[C@H]1C2)c1ccc([N+](=O)[O-])cc1 ZINC000005119106 204193176 /nfs/dbraw/zinc/19/31/76/204193176.db2.gz GMKJTBKWFFGKGT-KVPLUYHFSA-N 0 0 351.402 4.582 40 5 FJBBRN COc1ccc(OC)c2c1[C@@H](c1cccc([N+](=O)[O-])c1)O[C@H]1CCCC[C@@H]21 ZINC000006668166 204259541 /nfs/dbraw/zinc/25/95/41/204259541.db2.gz XQYSWHWKNJFTCV-VWKPWSFCSA-N 0 0 369.417 4.758 40 5 FJBBRN C[C@@H](NC(=O)/C=C/c1cccc([N+](=O)[O-])c1)c1ccc(C(C)(C)C)cc1 ZINC000013670891 220082117 /nfs/dbraw/zinc/08/21/17/220082117.db2.gz DOKFLVALIYZPMG-XETPBLJFSA-N 0 0 352.434 4.783 40 5 FJBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCc1ccc(Cl)cc1Cl ZINC000046569723 211839581 /nfs/dbraw/zinc/83/95/81/211839581.db2.gz USGGTIFVZNBOGN-UHFFFAOYSA-N 0 0 353.205 4.781 40 5 FJBBRN O=[N+]([O-])c1cc(-c2nc(-c3ccccc3)no2)ccc1NCc1ccccc1 ZINC000072242783 205502735 /nfs/dbraw/zinc/50/27/35/205502735.db2.gz ZGCUFXLCBHSLBN-UHFFFAOYSA-N 0 0 372.384 4.924 40 5 FJBBRN O=[N+]([O-])c1ccc(Cl)c(-c2nc(-c3ccc(OC(F)F)cc3)no2)c1 ZINC000089262493 205663125 /nfs/dbraw/zinc/66/31/25/205663125.db2.gz SBOVEHFHZMOKRE-UHFFFAOYSA-N 0 0 367.695 4.567 40 5 FJBBRN COc1ccc([C@@H](CC(C)C)NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1 ZINC000030855017 211527596 /nfs/dbraw/zinc/52/75/96/211527596.db2.gz RBYCGTWVDKOREU-QARGNGGGSA-N 0 0 368.433 4.520 40 5 FJBBRN COc1cc(C)c([C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)cc1C(C)C ZINC000223263579 206436507 /nfs/dbraw/zinc/43/65/07/206436507.db2.gz GLYBILLTSQVSGV-CQSZACIVSA-N 0 0 356.422 4.526 40 5 FJBBRN COc1cc(C)c([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2)cc1C(C)C ZINC000223263442 206436587 /nfs/dbraw/zinc/43/65/87/206436587.db2.gz YDFXPOJZKRCIPG-CQSZACIVSA-N 0 0 356.422 4.526 40 5 FJBBRN COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000006169892 210660426 /nfs/dbraw/zinc/66/04/26/210660426.db2.gz POPAEGQWRXKOBC-VOTSOKGWSA-N 0 0 367.188 4.562 40 5 FJBBRN CC(C)(C)CC(C)(C)NC(=O)c1cc2c(ccc3ccccc32)oc1=O ZINC000027529555 220536259 /nfs/dbraw/zinc/53/62/59/220536259.db2.gz ORYGNHPLFBAFPJ-UHFFFAOYSA-N 0 0 351.446 4.891 40 5 FJBBRN COc1ccc2c(c1)CCCN2c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000059484687 263420290 /nfs/dbraw/zinc/42/02/90/263420290.db2.gz DANZIJQNURCHAG-UHFFFAOYSA-N 0 0 352.312 4.707 40 5 FJBBRN Cc1cc([N+](=O)[O-])ccc1NC(=O)C(C)(C)Oc1ccc(C(C)(C)C)cc1 ZINC000057313102 568293973 /nfs/dbraw/zinc/29/39/73/568293973.db2.gz JWIFRZLTXJCSOG-UHFFFAOYSA-N 0 0 370.449 4.997 40 5 FJBBRN CCCOc1ccc(C(=O)Nc2cc(Cl)c([N+](=O)[O-])cc2Cl)cc1 ZINC000072229469 570535202 /nfs/dbraw/zinc/53/52/02/570535202.db2.gz ICHOHFDOYBZUDH-UHFFFAOYSA-N 0 0 369.204 4.943 40 5 FJBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1 ZINC000014665181 570537595 /nfs/dbraw/zinc/53/75/95/570537595.db2.gz FHQMIRVQRCDAHM-AWEZNQCLSA-N 0 0 356.422 4.607 40 5 FJBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1 ZINC000014665179 570538111 /nfs/dbraw/zinc/53/81/11/570538111.db2.gz FHQMIRVQRCDAHM-CQSZACIVSA-N 0 0 356.422 4.607 40 5 FJBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1ccc2ccccc2c1 ZINC000004886377 570554055 /nfs/dbraw/zinc/55/40/55/570554055.db2.gz PYWWJHXJEVVAOK-UHFFFAOYSA-N 0 0 352.415 4.787 40 5 FJBBRN Cc1noc(/C=C\c2ccccc2OCc2ccccc2F)c1[N+](=O)[O-] ZINC000408543662 570567712 /nfs/dbraw/zinc/56/77/12/570567712.db2.gz PTIDCQWLVBYKGK-KHPPLWFESA-N 0 0 354.337 4.780 40 5 FJBBRN CCOc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCC ZINC000408606667 570570275 /nfs/dbraw/zinc/57/02/75/570570275.db2.gz JQMOKRHNBSGYDC-UHFFFAOYSA-N 0 0 350.802 4.658 40 5 FJBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccc(C2CCCCC2)cc1 ZINC000408620594 570570368 /nfs/dbraw/zinc/57/03/68/570570368.db2.gz HPBCUOLFXATSLA-UHFFFAOYSA-N 0 0 368.433 4.968 40 5 FJBBRN O=C(c1ccccc1)c1ccc(Oc2ccc([N+](=O)[O-])cc2)c([N+](=O)[O-])c1 ZINC000004952707 570673961 /nfs/dbraw/zinc/67/39/61/570673961.db2.gz KCMNTTKMJGJVAY-UHFFFAOYSA-N 0 0 364.313 4.526 40 5 FJBBRN COc1ccc([C@H](OC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1 ZINC000005640116 570682768 /nfs/dbraw/zinc/68/27/68/570682768.db2.gz VLMKZMQJNMVWEN-HXUWFJFHSA-N 0 0 363.369 4.550 40 5 FJBBRN COc1cccc(NC(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)c2ccccc2)c1 ZINC000408922986 570699955 /nfs/dbraw/zinc/69/99/55/570699955.db2.gz DGFLEIBYHGLXTO-KGENOOAVSA-N 0 0 374.396 4.783 40 5 FJBBRN CCOc1ccc(NC(=S)Nc2ccc3nc4ccccc4nc3c2)cc1 ZINC000408975007 570705788 /nfs/dbraw/zinc/70/57/88/570705788.db2.gz HGZDJXFZBHDYRC-UHFFFAOYSA-N 0 0 374.469 4.991 40 5 FJBBRN COc1ccc(N(C)C(=S)Nc2cc3ncccc3c3cccnc23)cc1 ZINC000408974859 570705855 /nfs/dbraw/zinc/70/58/55/570705855.db2.gz HQZWRMDTAQUSHF-UHFFFAOYSA-N 0 0 374.469 4.625 40 5 FJBBRN Cc1ccc(C(=O)Oc2ccc3nc4[nH]c5ccccc5c4nc3c2)cc1 ZINC000408978395 570706227 /nfs/dbraw/zinc/70/62/27/570706227.db2.gz ZGZODMDIUQRXEU-UHFFFAOYSA-N 0 0 353.381 4.792 40 5 FJBBRN COc1ccc(N(C)C(=S)Nc2cc3ccncc3c3ncccc23)cc1 ZINC000408976183 570706296 /nfs/dbraw/zinc/70/62/96/570706296.db2.gz 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/nfs/dbraw/zinc/99/58/55/206995855.db2.gz OXBFBNIBDQNWOK-LJQANCHMSA-N 0 0 360.369 4.528 40 5 in-vitro FJBBRN Cc1ccc(NC(=O)OCCSc2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000005328944 207093827 /nfs/dbraw/zinc/09/38/27/207093827.db2.gz XROGRIFXAWKBIC-UHFFFAOYSA-N 0 0 366.826 4.897 40 5 FJBBRN O=[N+]([O-])c1cc([N+](=O)[O-])c(/C=C\c2cccnc2)cc1/C=C/c1cccnc1 ZINC000008627772 207238877 /nfs/dbraw/zinc/23/88/77/207238877.db2.gz JXNZSYXHHWKUQG-CGXWXWIYSA-N 0 0 374.356 4.634 40 5 FJBBRN CC[C@H](Oc1cc(C)ccc1C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000030873166 208008399 /nfs/dbraw/zinc/00/83/99/208008399.db2.gz BUZYPFASNGNTIF-INIZCTEOSA-N 0 0 362.813 4.661 40 5 FJBBRN O=C(c1ccccc1)[C@H]1[C@@H](c2ccccc2[N+](=O)[O-])N1C1CCCCC1 ZINC000039931572 208214162 /nfs/dbraw/zinc/21/41/62/208214162.db2.gz OFIHBIHVNYDAGB-JLMWTWJWSA-N 0 0 350.418 4.536 40 5 in-vitro FJBBRN O=[N+]([O-])c1cccc([C@H]2Oc3ccccc3[C@H]3C[C@H](c4ccccc4)NN32)c1 ZINC000036286706 220809798 /nfs/dbraw/zinc/80/97/98/220809798.db2.gz 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CCN(CC)c1cc(NC(=O)c2cccc(C)c2)c(Cl)cc1[N+](=O)[O-] ZINC000072229111 570535280 /nfs/dbraw/zinc/53/52/80/570535280.db2.gz NYMKZJQZQHJXPV-UHFFFAOYSA-N 0 0 361.829 4.655 40 5 FJBBRN CCOc1ccc(C(=O)Nc2cc(Cl)c([N+](=O)[O-])cc2Cl)cc1 ZINC000072229467 570535317 /nfs/dbraw/zinc/53/53/17/570535317.db2.gz BFVWYGUEMJIKNR-UHFFFAOYSA-N 0 0 355.177 4.553 40 5 FJBBRN CC(C)Oc1cccc(C(=O)Nc2cc(Cl)c([N+](=O)[O-])cc2Cl)c1 ZINC000072229462 570535755 /nfs/dbraw/zinc/53/57/55/570535755.db2.gz XWKLJCOZLPMLBS-UHFFFAOYSA-N 0 0 369.204 4.941 40 5 FJBBRN CCCOc1ccc(/C=C/c2onc(C)c2[N+](=O)[O-])cc1Br ZINC000408542591 570567504 /nfs/dbraw/zinc/56/75/04/570567504.db2.gz KIDXWAVUYDXPSK-FNORWQNLSA-N 0 0 367.199 4.613 40 5 FJBBRN O=[N+]([O-])c1cccc(NCc2ccccc2OCc2cccc(F)c2)c1 ZINC000408554429 570567604 /nfs/dbraw/zinc/56/76/04/570567604.db2.gz DXQDXRLDZWYOPG-UHFFFAOYSA-N 0 0 352.365 4.925 40 5 FJBBRN COc1cccc(NC(=O)c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)c1 ZINC000408625845 570570550 /nfs/dbraw/zinc/57/05/50/570570550.db2.gz 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O=C(Nc1ccc([N+](=O)[O-])cc1)[C@H]1CC2c3ccccc3C1c1ccccc12 ZINC000004697594 570670639 /nfs/dbraw/zinc/67/06/39/570670639.db2.gz ZMXNGULFZNTBDA-ORFBVSJDSA-N 0 0 370.408 4.831 40 5 FJBBRN Cc1ccc(OC(=O)c2ccc3[nH]c4nc5ccccc5nc4c3c2)cc1 ZINC000408975437 570706208 /nfs/dbraw/zinc/70/62/08/570706208.db2.gz KHIONEPKIPCWQY-UHFFFAOYSA-N 0 0 353.381 4.792 40 5 FJBBRN O=C(Nc1ccc(F)cc1)c1ccc2[nH]c3nc4ccccc4nc3c2c1 ZINC000408977318 570707032 /nfs/dbraw/zinc/70/70/32/570707032.db2.gz WVWTUQWXSSWVJD-UHFFFAOYSA-N 0 0 356.360 4.656 40 5 FJBBRN O=C(Nc1ccccc1)Nc1ccc2[nH]c3nc4ccccc4nc3c2c1 ZINC000408999136 570710180 /nfs/dbraw/zinc/71/01/80/570710180.db2.gz KKSBDDQCQOGKPC-UHFFFAOYSA-N 0 0 353.385 4.908 40 5 FJBBRN COc1c(C)cc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)cc1C ZINC000225507991 571041157 /nfs/dbraw/zinc/04/11/57/571041157.db2.gz HSKKVTDGDNDMNR-UHFFFAOYSA-N 0 0 368.433 4.671 40 5 FJBBRN Cc1ccc(C(=O)CN(c2cccc([N+](=O)[O-])c2)C2=NCCCCC2)cc1 ZINC000008411436 571045959 /nfs/dbraw/zinc/04/59/59/571045959.db2.gz HORAZIQRYZNBAI-UHFFFAOYSA-N 0 0 365.433 4.565 40 5 FJBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccccc1OCc1ccccc1 ZINC000013687272 571111068 /nfs/dbraw/zinc/11/10/68/571111068.db2.gz OBULDHDXYPNNQB-UHFFFAOYSA-N 0 0 362.385 4.735 40 5 FJBBRN C[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000013708753 571111284 /nfs/dbraw/zinc/11/12/84/571111284.db2.gz SSAUCOMURNIRLD-GFCCVEGCSA-N 0 0 370.792 4.807 40 5 FJBBRN O=C(CCCSc1ccc(Cl)cc1)Nc1cccc([N+](=O)[O-])c1 ZINC000006405901 571183938 /nfs/dbraw/zinc/18/39/38/571183938.db2.gz MHQFHZVUNGHEDW-UHFFFAOYSA-N 0 0 350.827 4.759 40 5 FJBBRN C[C@H]([C@H](c1ccc(Br)cc1)c1ccccc1Cl)[N+](=O)[O-] ZINC000001755189 571191596 /nfs/dbraw/zinc/19/15/96/571191596.db2.gz DFJVKHSHTGUZAZ-MEBBXXQBSA-N 0 0 354.631 4.900 40 5 FJBBRN Cc1c(NC(=O)CCSc2ccc(Cl)cc2)cccc1[N+](=O)[O-] ZINC000006455965 571193922 /nfs/dbraw/zinc/19/39/22/571193922.db2.gz CKWOFOMUHMOFPT-UHFFFAOYSA-N 0 0 350.827 4.678 40 5 FJBBRN CCCCN1C(=O)S/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)C1=O ZINC000006635489 571237607 /nfs/dbraw/zinc/23/76/07/571237607.db2.gz AUBJRGYWSBVJAP-WJDWOHSUSA-N 0 0 372.402 4.691 40 5 FJBBRN CCc1ccc2c(c1)C(c1ccc([N+](=O)[O-])cc1)=NNC(c1ccccc1)=N2 ZINC000006844155 571249807 /nfs/dbraw/zinc/24/98/07/571249807.db2.gz QRSVSKZTBKWNMQ-UHFFFAOYSA-N 0 0 370.412 4.591 40 5 aggregator FJBBRN CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000007072960 571260069 /nfs/dbraw/zinc/26/00/69/571260069.db2.gz FPNOIXDDDZMERL-GFCCVEGCSA-N 0 0 362.813 4.779 40 5 FJBBRN Cc1noc(/C=C/c2ccc(-c3cc(C)c(C)cc3[N+](=O)[O-])o2)c1[N+](=O)[O-] ZINC000006280582 571295636 /nfs/dbraw/zinc/29/56/36/571295636.db2.gz SSYLXUIHDNVFDK-FNORWQNLSA-N 0 0 369.333 4.847 40 5 FJBBRN COc1ccc(NC(=O)c2ccc(-c3ccc(C)c(C)c3)o2)c([N+](=O)[O-])c1 ZINC000006503777 571296681 /nfs/dbraw/zinc/29/66/81/571296681.db2.gz VLSBZDYCKQQEOM-UHFFFAOYSA-N 0 0 366.373 4.733 40 5 FJBBRN O=C(CSCc1ccc([N+](=O)[O-])cc1)Nc1cc(Cl)ccc1Cl ZINC000007093809 571298530 /nfs/dbraw/zinc/29/85/30/571298530.db2.gz KLUPJDONXCHVSQ-UHFFFAOYSA-N 0 0 371.245 4.774 40 5 FJBBRN CN(C)c1ccc(NC(=S)Nc2cc3ccncc3c3ncccc23)cc1 ZINC000033664565 571305776 /nfs/dbraw/zinc/30/57/76/571305776.db2.gz HKUFMVZWUHWDBC-UHFFFAOYSA-N 0 0 373.485 4.658 40 5 FJBBRN O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1cccc(Cl)c1N1CCCC1 ZINC000107937320 571307055 /nfs/dbraw/zinc/30/70/55/571307055.db2.gz XZVXOZKAWYNBPI-MDZDMXLPSA-N 0 0 371.824 4.500 40 5 FJBBRN Cc1ccc2[nH]c(-c3ccc(C(=O)Nc4cccc([N+](=O)[O-])c4)cc3)nc2c1 ZINC000225262972 571318556 /nfs/dbraw/zinc/31/85/56/571318556.db2.gz BDEDYFWPSARJPO-UHFFFAOYSA-N 0 0 372.384 4.699 40 5 FJBBRN O=C(CSCc1ccc(Cl)c(Cl)c1)Nc1cccc([N+](=O)[O-])c1 ZINC000008907936 571320941 /nfs/dbraw/zinc/32/09/41/571320941.db2.gz PLJXBVVGDYKWPA-UHFFFAOYSA-N 0 0 371.245 4.774 40 5 FJBBRN Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)c1cccc(Br)c1 ZINC000116223932 571321991 /nfs/dbraw/zinc/32/19/91/571321991.db2.gz VNNKLAIVSWCQAB-UHFFFAOYSA-N 0 0 369.602 4.571 40 5 FJBBRN CN(C(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1)C1CCCC1 ZINC000022523475 571336952 /nfs/dbraw/zinc/33/69/52/571336952.db2.gz PYRSZOHYGYGJLX-HMMYKYKNSA-N 0 0 350.418 4.536 40 5 FJBBRN Cc1ccc([C@H](NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)cc1 ZINC000216479995 571342425 /nfs/dbraw/zinc/34/24/25/571342425.db2.gz KUUGVMANXSDIEL-MEWQITQSSA-N 0 0 372.424 4.822 40 5 FJBBRN O=[N+]([O-])c1cc2c(cc1/C=C/c1ccccc1)[C@@H](O)[C@H](c1ccccc1)N2 ZINC000003845004 571352622 /nfs/dbraw/zinc/35/26/22/571352622.db2.gz ITOQIWZOAQFVLF-QFBGAIGZSA-N 0 0 358.397 4.965 40 5 FJBBRN O=[N+]([O-])c1ccc2nc(NCCOc3cccc4ccccc43)sc2c1 ZINC000059461250 571357278 /nfs/dbraw/zinc/35/72/78/571357278.db2.gz IIAJNMVPHKLCQY-UHFFFAOYSA-N 0 0 365.414 4.849 40 5 FJBBRN CC(C)c1ccccc1OCCNc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000059461249 571357285 /nfs/dbraw/zinc/35/72/85/571357285.db2.gz UDRXIESYNAHBQK-UHFFFAOYSA-N 0 0 357.435 4.819 40 5 FJBBRN CC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1C)c1ccc2c(c1)CCCC2 ZINC000170555494 222595083 /nfs/dbraw/zinc/59/50/83/222595083.db2.gz WSWKPXHIQCUMAH-IBGZPJMESA-N 0 0 352.434 4.663 40 5 FJBBRN O=[N+]([O-])c1cc([N+](=O)[O-])c(/C=C/c2cccnc2)cc1/C=C/c1cccnc1 ZINC000008627774 219865393 /nfs/dbraw/zinc/86/53/93/219865393.db2.gz JXNZSYXHHWKUQG-KQQUZDAGSA-N 0 0 374.356 4.634 40 5 FJBBRN Cc1c(C(=O)Nc2ccc(Br)cc2Cl)cccc1[N+](=O)[O-] ZINC000014785365 220133258 /nfs/dbraw/zinc/13/32/58/220133258.db2.gz GJAKITFEUDAKDB-UHFFFAOYSA-N 0 0 369.602 4.571 40 5 FJBBRN O=[N+]([O-])c1cc(C(F)(F)F)cc2c1SC1=Nc3ccccc3CN21 ZINC000001617733 206890273 /nfs/dbraw/zinc/89/02/73/206890273.db2.gz FPVMRDWZFMSHFM-UHFFFAOYSA-N 0 0 351.309 4.727 40 5 FJBBRN CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1c2ccccc2CCc2ccccc21 ZINC000006176727 207132747 /nfs/dbraw/zinc/13/27/47/207132747.db2.gz FYEGSOAMXOORHB-UHFFFAOYSA-N 0 0 373.412 4.519 40 5 FJBBRN Nc1ccc(Sc2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])cc1 ZINC000006756911 207161247 /nfs/dbraw/zinc/16/12/47/207161247.db2.gz LFWFPMQEXRJVLJ-UHFFFAOYSA-N 0 0 350.399 4.559 40 5 FJBBRN O=C(Oc1cccc2cccnc21)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000006863637 207172485 /nfs/dbraw/zinc/17/24/85/207172485.db2.gz YUOTUDNYWCCTJS-UHFFFAOYSA-N 0 0 360.325 4.622 40 5 FJBBRN CCOC(=O)c1ccc(Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000006870150 207174103 /nfs/dbraw/zinc/17/41/03/207174103.db2.gz VPNQOICHGPULDX-UHFFFAOYSA-N 0 0 354.284 4.534 40 5 FJBBRN C[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000013708755 207478702 /nfs/dbraw/zinc/47/87/02/207478702.db2.gz SSAUCOMURNIRLD-LBPRGKRZSA-N 0 0 370.792 4.807 40 5 FJBBRN CC[C@H](Oc1cccc2ccccc21)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000030852244 208005405 /nfs/dbraw/zinc/00/54/05/208005405.db2.gz NWXWNPXUEGQYII-IBGZPJMESA-N 0 0 364.401 4.853 40 5 FJBBRN Cc1cc([N+](=O)[O-])cc(C)c1NC(=O)C(C)(C)Oc1ccc(Cl)cc1 ZINC000072228881 208824727 /nfs/dbraw/zinc/82/47/27/208824727.db2.gz KCSWGYYPBSJMKJ-UHFFFAOYSA-N 0 0 362.813 4.661 40 5 FJBBRN Cc1cccc(C)c1NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000007388495 132305095 /nfs/dbraw/zinc/30/50/95/132305095.db2.gz KKCTZKQSEHYEET-UHFFFAOYSA-N 0 0 367.449 4.700 40 5 FJBBRN CCn1c(-c2ccc(Cl)cc2)cs/c1=N\c1ccc(N)c([N+](=O)[O-])c1 ZINC000101375720 222272806 /nfs/dbraw/zinc/27/28/06/222272806.db2.gz HHPYJCDBNRODOQ-JZJYNLBNSA-N 0 0 374.853 4.613 40 5 FJBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)/C=C/c1ccc(Cl)cc1Cl ZINC000005618184 263342250 /nfs/dbraw/zinc/34/22/50/263342250.db2.gz YSKGZRWTIBUIOX-QPJJXVBHSA-N 0 0 351.189 4.862 40 5 FJBBRN COc1cccc(NC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)c1 ZINC000006762239 263346656 /nfs/dbraw/zinc/34/66/56/263346656.db2.gz DFGAPWYOGOQIFF-UHFFFAOYSA-N 0 0 372.764 4.769 40 5 FJBBRN CC(C)c1ccc(CCCNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000217874992 519835545 /nfs/dbraw/zinc/83/55/45/519835545.db2.gz RQHPKXRKDPZFDA-UHFFFAOYSA-N 0 0 360.841 4.734 40 5 FJBBRN CC[C@H](NC(=O)CSCc1ccc([N+](=O)[O-])cc1)c1ccc(C)cc1C ZINC000218052438 522392777 /nfs/dbraw/zinc/39/27/77/522392777.db2.gz AIRPAMZENFIWFR-IBGZPJMESA-N 0 0 372.490 4.712 40 5 FJBBRN CC[C@@H](Oc1cccc2ccccc21)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000020489789 523055240 /nfs/dbraw/zinc/05/52/40/523055240.db2.gz YGIQINYDJKGFGW-LJQANCHMSA-N 0 0 364.401 4.853 40 5 FJBBRN COc1ccc2nc3cc(Cl)ccc3c(Nc3ccc(O)cc3)c2n1 ZINC000095865023 570471382 /nfs/dbraw/zinc/47/13/82/570471382.db2.gz OHLFWLUPLZLCGD-UHFFFAOYSA-N 0 0 351.793 4.894 40 5 FJBBRN COc1ccc([C@@H]2CC(=O)c3c(-c4cccc([N+](=O)[O-])c4)ccnc3C2)cc1 ZINC000014164019 570517906 /nfs/dbraw/zinc/51/79/06/570517906.db2.gz YQHZQBCSIXUHOO-INIZCTEOSA-N 0 0 374.396 4.578 40 5 FJBBRN CCN(CC)c1cc(NC(=O)c2ccc(C)cc2)c(Cl)cc1[N+](=O)[O-] ZINC000072229112 570535771 /nfs/dbraw/zinc/53/57/71/570535771.db2.gz MMHGXOSJOWREAW-UHFFFAOYSA-N 0 0 361.829 4.655 40 5 FJBBRN Cc1c(NC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)cccc1[N+](=O)[O-] ZINC000014665193 570537518 /nfs/dbraw/zinc/53/75/18/570537518.db2.gz ZUMYRFNFISPMAL-AWEZNQCLSA-N 0 0 356.422 4.607 40 5 FJBBRN COc1ccc(NC(=O)/C=C/c2ccc(-c3ccccc3)o2)cc1[N+](=O)[O-] ZINC000408577062 570568766 /nfs/dbraw/zinc/56/87/66/570568766.db2.gz ZOZBEIHXVXUERS-FMIVXFBMSA-N 0 0 364.357 4.515 40 5 FJBBRN CC1CCN(c2ccc(NC(=O)c3ccccc3[N+](=O)[O-])cc2Cl)CC1 ZINC000408629077 570570505 /nfs/dbraw/zinc/57/05/05/570570505.db2.gz LNKLIRDCICDIEE-UHFFFAOYSA-N 0 0 373.840 4.737 40 5 FJBBRN CCCc1sc(NC(=O)c2cccc([N+](=O)[O-])c2)nc1-c1ccccc1 ZINC000408836565 570575522 /nfs/dbraw/zinc/57/55/22/570575522.db2.gz SNNCBVMUXTXFKJ-UHFFFAOYSA-N 0 0 367.430 4.923 40 5 FJBBRN CCCn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1-c1ccccc1 ZINC000409107424 570581636 /nfs/dbraw/zinc/58/16/36/570581636.db2.gz PMDUJEPBZNSYEU-UHFFFAOYSA-N 0 0 354.435 4.556 40 5 FJBBRN CCN1C(=O)/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c2ccccc21 ZINC000409197280 570583803 /nfs/dbraw/zinc/58/38/03/570583803.db2.gz ALVGELGTGVEEBT-QGOAFFKASA-N 0 0 360.369 4.762 40 5 FJBBRN CCCN(CCC)c1c([N+](=O)[O-])cc(C(F)(F)F)c(Cl)c1[N+](=O)[O-] ZINC000005139143 570587968 /nfs/dbraw/zinc/58/79/68/570587968.db2.gz MYVMMXACRYYJJK-UHFFFAOYSA-N 0 0 369.727 4.802 40 5 FJBBRN Cc1ccc(N(Cc2ccc([N+](=O)[O-])cc2)C(=O)c2ccco2)cc1C ZINC000004902414 570673794 /nfs/dbraw/zinc/67/37/94/570673794.db2.gz KUNLTYIHJQLPQO-UHFFFAOYSA-N 0 0 350.374 4.652 40 5 FJBBRN COc1ccc([N+](=O)[O-])cc1[C@@H]1Nc2ccc(Cl)cc2[C@@H]2OCC[C@@H]21 ZINC000008165916 570678271 /nfs/dbraw/zinc/67/82/71/570678271.db2.gz RRHCHQVMNLHETK-NXOUGTEYSA-N 0 0 360.797 4.501 40 5 FJBBRN CC(=O)Nc1nc(-c2ccc([N+](=O)[O-])cc2)c(-c2ccc(C)cc2)s1 ZINC000408836599 570690349 /nfs/dbraw/zinc/69/03/49/570690349.db2.gz SVGDUAFGXULLJS-UHFFFAOYSA-N 0 0 353.403 4.652 40 5 FJBBRN C[C@@H]1Cc2ccccc2N1C(=O)Nc1cc2ccncc2c2ncccc12 ZINC000408973949 570705396 /nfs/dbraw/zinc/70/53/96/570705396.db2.gz CWLCYKGPSZUKLV-CQSZACIVSA-N 0 0 354.413 4.766 40 5 FJBBRN Cc1ccc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)cc1[N+](=O)[O-] ZINC000409192892 570738141 /nfs/dbraw/zinc/73/81/41/570738141.db2.gz GRABTLBYHWESDL-OQLLNIDSSA-N 0 0 374.805 4.798 40 5 FJBBRN CCCCOc1ccc(C(=O)Nc2cc(Cl)c([N+](=O)[O-])cc2C)cc1 ZINC000014258340 570846529 /nfs/dbraw/zinc/84/65/29/570846529.db2.gz FBDMFRTXHYXDNJ-UHFFFAOYSA-N 0 0 362.813 4.988 40 5 FJBBRN COc1cc(C)c([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1C(C)C ZINC000223271470 571071323 /nfs/dbraw/zinc/07/13/23/571071323.db2.gz YQPJSTPVHRTJQK-OAHLLOKOSA-N 0 0 370.449 4.835 40 5 FJBBRN CCN(CC)c1ccc2c(C)c(-c3cccc([N+](=O)[O-])c3)c(=O)oc2c1 ZINC000245189628 571093474 /nfs/dbraw/zinc/09/34/74/571093474.db2.gz XXUDHOAWTDRUDS-UHFFFAOYSA-N 0 0 352.390 4.523 40 5 FJBBRN Cc1sc(NC(=O)c2ccc([N+](=O)[O-])cc2)nc1-c1ccc(Cl)cc1 ZINC000006185172 571149897 /nfs/dbraw/zinc/14/98/97/571149897.db2.gz KBSRGEKZWDXPEK-UHFFFAOYSA-N 0 0 373.821 4.932 40 5 FJBBRN COc1ccc([C@@H](OC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1 ZINC000001700425 571165966 /nfs/dbraw/zinc/16/59/66/571165966.db2.gz VLMKZMQJNMVWEN-FQEVSTJZSA-N 0 0 363.369 4.550 40 5 FJBBRN O=C(c1ccccc1)c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000004718892 571167819 /nfs/dbraw/zinc/16/78/19/571167819.db2.gz VARRMPLWXUVENV-UHFFFAOYSA-N 0 0 364.313 4.526 40 5 FJBBRN C[C@@H]([C@@H](c1ccc(Br)cc1)c1ccccc1Cl)[N+](=O)[O-] ZINC000001755186 571191608 /nfs/dbraw/zinc/19/16/08/571191608.db2.gz DFJVKHSHTGUZAZ-BONVTDFDSA-N 0 0 354.631 4.900 40 5 FJBBRN O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000001959249 571202944 /nfs/dbraw/zinc/20/29/44/571202944.db2.gz XFGZSZXSZAPODZ-QPJJXVBHSA-N 0 0 370.714 4.919 40 5 FJBBRN O=C(Nc1ccc(Cl)c(Cl)c1)C1(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000225991099 571203262 /nfs/dbraw/zinc/20/32/62/571203262.db2.gz NMTUSCIJNSKWOR-UHFFFAOYSA-N 0 0 351.189 4.572 40 5 FJBBRN COc1ccc(OC)c2c1[C@H]1CCCC[C@H]1O[C@@H]2c1ccccc1[N+](=O)[O-] ZINC000004789093 571235337 /nfs/dbraw/zinc/23/53/37/571235337.db2.gz ZIAKEACEGLRLJF-CMPZQBNXSA-N 0 0 369.417 4.758 40 5 FJBBRN COc1ccc(OC)c2c1[C@@H](c1ccccc1[N+](=O)[O-])O[C@H]1CCCC[C@@H]21 ZINC000004789082 571235395 /nfs/dbraw/zinc/23/53/95/571235395.db2.gz ZIAKEACEGLRLJF-IVZHQMGZSA-N 0 0 369.417 4.758 40 5 FJBBRN COc1ccc(OC)c2c1[C@@H](c1ccccc1[N+](=O)[O-])O[C@@H]1CCCC[C@@H]21 ZINC000004789089 571235496 /nfs/dbraw/zinc/23/54/96/571235496.db2.gz ZIAKEACEGLRLJF-IUSZMWJPSA-N 0 0 369.417 4.758 40 5 FJBBRN O=C(Nc1ccc2c3c(cccc31)CC2)c1cc([N+](=O)[O-])ccc1Cl ZINC000006889314 571252676 /nfs/dbraw/zinc/25/26/76/571252676.db2.gz CPRPBOHWSGJQRJ-UHFFFAOYSA-N 0 0 352.777 4.752 40 5 FJBBRN CC[C@H](C)c1ccc(OCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000017074671 571274871 /nfs/dbraw/zinc/27/48/71/571274871.db2.gz PVOQBNQVDZOLAM-LBPRGKRZSA-N 0 0 362.813 4.779 40 5 FJBBRN Cc1cc(C(=O)Nc2ccc(Br)cc2Cl)ccc1[N+](=O)[O-] ZINC000007748383 571287868 /nfs/dbraw/zinc/28/78/68/571287868.db2.gz WIBZMWMXNPYNPR-UHFFFAOYSA-N 0 0 369.602 4.571 40 5 FJBBRN CCOc1ccc(NC(=S)Nc2cc3ncccc3c3cccnc23)cc1 ZINC000006712498 571297175 /nfs/dbraw/zinc/29/71/75/571297175.db2.gz ZZKZNROLYXJNAG-UHFFFAOYSA-N 0 0 374.469 4.991 40 5 FJBBRN CCOc1ccc(NC(=O)Nc2cc3cccnc3c3ncccc23)cc1 ZINC000006963332 571298111 /nfs/dbraw/zinc/29/81/11/571298111.db2.gz HZUVTTAANVEZIX-UHFFFAOYSA-N 0 0 358.401 4.826 40 5 FJBBRN CN(C)c1ccc(NC(=S)Nc2cc3ncccc3c3cccnc23)cc1 ZINC000033862634 571305980 /nfs/dbraw/zinc/30/59/80/571305980.db2.gz WYXMSEPCAQEOBM-UHFFFAOYSA-N 0 0 373.485 4.658 40 5 FJBBRN CCOc1cc(/C=C\c2onc(C)c2[N+](=O)[O-])cc(Cl)c1OCC ZINC000108248050 571307030 /nfs/dbraw/zinc/30/70/30/571307030.db2.gz QQECNNDALULKMU-SREVYHEPSA-N 0 0 352.774 4.512 40 5 FJBBRN Cc1c(C(=O)Nc2ccc(N3CCCC[C@H]3C)cc2)cccc1[N+](=O)[O-] ZINC000009064452 571320988 /nfs/dbraw/zinc/32/09/88/571320988.db2.gz DUXLAWIJXVDJDZ-CQSZACIVSA-N 0 0 353.422 4.534 40 5 FJBBRN O=C(NC(c1ccccc1)c1ccccc1)C1(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000225991864 571339092 /nfs/dbraw/zinc/33/90/92/571339092.db2.gz LOFFGKFTKABAJH-UHFFFAOYSA-N 0 0 372.424 4.532 40 5 FJBBRN CC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000216228205 571342269 /nfs/dbraw/zinc/34/22/69/571342269.db2.gz QEQQJSLKHRGAFZ-IBGZPJMESA-N 0 0 350.374 4.544 40 5 FJBBRN O=[N+]([O-])c1ccc2nc(-c3ccc(Cl)c(Br)c3)oc2c1 ZINC000216744717 571342801 /nfs/dbraw/zinc/34/28/01/571342801.db2.gz MGTCMIIVAWBUSL-UHFFFAOYSA-N 0 0 353.559 4.819 40 5 FJBBRN O=[N+]([O-])c1cc2c(cc1/C=C/c1ccccc1)[C@@H](O)[C@@H](c1ccccc1)N2 ZINC000003845003 571352682 /nfs/dbraw/zinc/35/26/82/571352682.db2.gz ITOQIWZOAQFVLF-CXYUPCIPSA-N 0 0 358.397 4.965 40 5 FJBBRN CCOc1ccc2nc(S[C@H](C[N+](=O)[O-])c3ccccc3)sc2c1 ZINC000059489742 571357451 /nfs/dbraw/zinc/35/74/51/571357451.db2.gz HSJCMSGHGCVWIP-MRXNPFEDSA-N 0 0 360.460 4.805 40 5 FJBBRN Cc1ccc(S(=O)(=O)n2c3ccccc3c3c4ccccc4[nH]c32)cc1 ZINC000242688589 209898210 /nfs/dbraw/zinc/89/82/10/209898210.db2.gz VTYVWGQYLVAKQO-UHFFFAOYSA-N 0 0 360.438 4.821 40 5 FJBBRN CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000225701590 222862465 /nfs/dbraw/zinc/86/24/65/222862465.db2.gz KOGKWOQVUNLGLZ-FQEVSTJZSA-N 0 0 368.433 4.578 40 5 FJBBRN Cc1cccc2c1Oc1ccccc1[C@@H]2NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000002048549 219424011 /nfs/dbraw/zinc/42/40/11/219424011.db2.gz OXBFBNIBDQNWOK-IBGZPJMESA-N 0 0 360.369 4.528 40 5 in-vitro FJBBRN Cc1cc(C)c([C@H](C)NC(=O)CSCc2ccc([N+](=O)[O-])cc2)cc1C ZINC000223398738 209757516 /nfs/dbraw/zinc/75/75/16/209757516.db2.gz GCJSNAMKANJMBB-INIZCTEOSA-N 0 0 372.490 4.631 40 5 FJBBRN Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000218124991 209663275 /nfs/dbraw/zinc/66/32/75/209663275.db2.gz SDVBARJHDQDLAW-INIZCTEOSA-N 0 0 374.824 4.589 40 5 FJBBRN Cc1ccc(Nc2nc(C)c([N+](=O)[O-])c(N(C)c3ccccc3)n2)c(C)c1 ZINC000005003740 219637772 /nfs/dbraw/zinc/63/77/72/219637772.db2.gz QCEGDHKFSLHNLV-UHFFFAOYSA-N 0 0 363.421 4.822 40 5 FJBBRN O=[N+]([O-])c1cccc(-c2nn3cc(-c4ccc(Cl)cc4)nc3s2)c1 ZINC000005323175 219670952 /nfs/dbraw/zinc/67/09/52/219670952.db2.gz MIJGNBWNAZNMDJ-UHFFFAOYSA-N 0 0 356.794 4.686 40 5 FJBBRN Cc1ccc(C)c(Nc2nc(C)c([N+](=O)[O-])c(N(C)c3ccccc3)n2)c1 ZINC000005362747 219673694 /nfs/dbraw/zinc/67/36/94/219673694.db2.gz RLTIFWAVJULSDI-UHFFFAOYSA-N 0 0 363.421 4.822 40 5 FJBBRN Cc1[nH]c2ccccc2c1[C@H](Nc1cccc([N+](=O)[O-])c1)c1cccnc1 ZINC000001448693 209391574 /nfs/dbraw/zinc/39/15/74/209391574.db2.gz VWMRPZNJWHSSFH-OAQYLSRUSA-N 0 0 358.401 4.981 40 5 FJBBRN Cc1ccc(C)c(-c2cnc(NC(=O)c3ccccc3[N+](=O)[O-])s2)c1 ZINC000000811291 209377523 /nfs/dbraw/zinc/37/75/23/209377523.db2.gz PVNPVVRQYVFRRK-UHFFFAOYSA-N 0 0 353.403 4.587 40 5 FJBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(OCc2ccccc2)c1 ZINC000019160863 220239623 /nfs/dbraw/zinc/23/96/23/220239623.db2.gz KHVNSQPVENYALO-UHFFFAOYSA-N 0 0 362.385 4.735 40 5 FJBBRN Cc1cc(O[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)ccc1Cl ZINC000011342832 207312194 /nfs/dbraw/zinc/31/21/94/207312194.db2.gz TXXXELSVUOBGLC-SNVBAGLBSA-N 0 0 369.204 4.616 40 5 FJBBRN Cc1ccc([C@H](NC(=O)c2ccc(C)c([N+](=O)[O-])c2)c2ccccc2)cc1 ZINC000022523794 207810548 /nfs/dbraw/zinc/81/05/48/207810548.db2.gz RZGYFPSHWAVNER-OAQYLSRUSA-N 0 0 360.413 4.731 40 5 FJBBRN CC1(C)Cc2nn(-c3ccccc3)c(-c3ccc([N+](=O)[O-])cc3)c2C(=O)C1 ZINC000020674327 220338835 /nfs/dbraw/zinc/33/88/35/220338835.db2.gz SNOAUVDHLXHAEL-UHFFFAOYSA-N 0 0 361.401 4.603 40 5 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O=[N+]([O-])c1ccc(Cl)c(-c2nc(-c3cccc(C(F)(F)F)c3)no2)c1 ZINC000089262482 571178679 /nfs/dbraw/zinc/17/86/79/571178679.db2.gz APMPBODDTAEZFS-UHFFFAOYSA-N 0 0 369.686 4.984 40 5 FJBBRN O=C(Nc1cc([N+](=O)[O-])ccc1Cl)Nc1ccccc1C(F)(F)F ZINC000001753317 571191630 /nfs/dbraw/zinc/19/16/30/571191630.db2.gz SKFQSEXNJNOWBH-UHFFFAOYSA-N 0 0 359.691 4.911 40 5 FJBBRN Cc1c(NC(=O)CSCc2ccc(Cl)cc2F)cccc1[N+](=O)[O-] ZINC000224564794 571214161 /nfs/dbraw/zinc/21/41/61/571214161.db2.gz HNYSAKOKKGBOTI-UHFFFAOYSA-N 0 0 368.817 4.568 40 5 FJBBRN O=[N+]([O-])c1cccc([C@H]2Oc3ccccc3[C@@H]3C[C@H](c4ccccc4)NN32)c1 ZINC000036286709 571246655 /nfs/dbraw/zinc/24/66/55/571246655.db2.gz JHBBRCDFRDNVNA-RZUBCFFCSA-N 0 0 373.412 4.679 40 5 FJBBRN O=C(Nc1nc(-c2ccc(Cl)cc2)cs1)c1ccccc1[N+](=O)[O-] ZINC000006863728 571250869 /nfs/dbraw/zinc/25/08/69/571250869.db2.gz WEVPXHNYSDUKNE-UHFFFAOYSA-N 0 0 359.794 4.624 40 5 FJBBRN CC[C@H](C)c1ccc(OCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000007079992 571260030 /nfs/dbraw/zinc/26/00/30/571260030.db2.gz CWFRSQIRAINZRA-LBPRGKRZSA-N 0 0 362.813 4.779 40 5 FJBBRN CC[C@H](C)c1ccc(OCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000007080085 571260059 /nfs/dbraw/zinc/26/00/59/571260059.db2.gz QRJUIALPHDTDTD-LBPRGKRZSA-N 0 0 362.813 4.779 40 5 FJBBRN O=C(CSCc1ccc([N+](=O)[O-])cc1)Nc1ccc(Cl)c(Cl)c1 ZINC000007093768 571260827 /nfs/dbraw/zinc/26/08/27/571260827.db2.gz BQKROKNQKZFNDX-UHFFFAOYSA-N 0 0 371.245 4.774 40 5 FJBBRN O=C(Nc1cc2cccnc2c2ncccc12)N1CC[C@@H](c2ccccc2)C1 ZINC000006496105 571296575 /nfs/dbraw/zinc/29/65/75/571296575.db2.gz BKGBIIRVLWDYSG-GOSISDBHSA-N 0 0 368.440 4.804 40 5 FJBBRN S=C(Nc1ccc2sc3nc4ccccc4nc3c2c1)N1CCCC1 ZINC000006616535 571296813 /nfs/dbraw/zinc/29/68/13/571296813.db2.gz DLWJBHKUENPEMH-UHFFFAOYSA-N 0 0 364.499 4.790 40 5 FJBBRN O=C(NC12CC3CC(CC(C3)C1)C2)c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000019159954 571303889 /nfs/dbraw/zinc/30/38/89/571303889.db2.gz CNQRQVVBUKNKLY-UHFFFAOYSA-N 0 0 366.417 4.553 40 5 FJBBRN O=C(OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1cccs1 ZINC000033653134 571305645 /nfs/dbraw/zinc/30/56/45/571305645.db2.gz QBFOCLXFSMYCEH-UHFFFAOYSA-N 0 0 355.371 4.806 40 5 FJBBRN CN(C(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1)c1ccccc1 ZINC000010285065 571321436 /nfs/dbraw/zinc/32/14/36/571321436.db2.gz CQTFNVMTWDDPTO-LTGZKZEYSA-N 0 0 358.397 4.798 40 5 FJBBRN CCC1(CC)C[C@H](NC(=O)c2cccc([N+](=O)[O-])c2C)c2ccccc2O1 ZINC000225601618 571337357 /nfs/dbraw/zinc/33/73/57/571337357.db2.gz TWWKOOALLMFYIR-KRWDZBQOSA-N 0 0 368.433 4.716 40 5 FJBBRN C[C@@H](SCc1ccccc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000003532194 571350707 /nfs/dbraw/zinc/35/07/07/571350707.db2.gz TUJJDNZAPUDXHD-LLVKDONJSA-N 0 0 350.827 4.509 40 5 FJBBRN Cc1ccc2c(c1)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)CC(C)(C)O2 ZINC000218120338 571352365 /nfs/dbraw/zinc/35/23/65/571352365.db2.gz DKOIGZUQWLHYDP-INIZCTEOSA-N 0 0 374.824 4.589 40 5 FJBBRN C[C@@H](Oc1cccc2c1CCCC2)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000225369749 222835537 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CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000020483054 220329948 /nfs/dbraw/zinc/32/99/48/220329948.db2.gz KAJXEFHXKBGMBZ-CQSZACIVSA-N 0 0 369.204 4.698 40 5 FJBBRN CN(C(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1)C1CCCCC1 ZINC000044901114 220963073 /nfs/dbraw/zinc/96/30/73/220963073.db2.gz GJAPVZUUMLNNNY-LTGZKZEYSA-N 0 0 364.445 4.927 40 5 FJBBRN O=C(Cc1ccc([N+](=O)[O-])cc1)N1c2ccccc2CCc2ccccc21 ZINC000039448925 263399654 /nfs/dbraw/zinc/39/96/54/263399654.db2.gz NVYPPGUTXZRALB-UHFFFAOYSA-N 0 0 358.397 4.601 40 5 FJBBRN CC(=O)c1cc([N+](=O)[O-])ccc1Sc1nc(C)cc(-c2ccccc2)n1 ZINC000408582381 263475439 /nfs/dbraw/zinc/47/54/39/263475439.db2.gz NKYYXVOQBVJHOL-UHFFFAOYSA-N 0 0 365.414 4.714 40 5 FJBBRN O=[N+]([O-])c1ccc(NCc2ccccc2OCc2cccc(F)c2)cc1 ZINC000408604790 263479516 /nfs/dbraw/zinc/47/95/16/263479516.db2.gz FEWLPHKABOZXDR-UHFFFAOYSA-N 0 0 352.365 4.925 40 5 FJBBRN C[C@H]1Cc2ccccc2N1C(=S)Nc1cc2cccnc2c2cccnc12 ZINC000408974223 263511657 /nfs/dbraw/zinc/51/16/57/263511657.db2.gz DLNYCRFNAFXDRE-AWEZNQCLSA-N 0 0 370.481 4.931 40 5 FJBBRN COc1ccc(N(C)C(=S)Nc2cc3cccnc3c3cccnc23)cc1 ZINC000408974243 263511814 /nfs/dbraw/zinc/51/18/14/263511814.db2.gz DOFFCPNJVMMZKA-UHFFFAOYSA-N 0 0 374.469 4.625 40 5 FJBBRN C[C@H]1Cc2ccccc2N1C(=S)Nc1cc2ccncc2c2ncccc12 ZINC000408974835 263512839 /nfs/dbraw/zinc/51/28/39/263512839.db2.gz HHAFCNQEEPPRQL-AWEZNQCLSA-N 0 0 370.481 4.931 40 5 FJBBRN Cc1ccc(SCC(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1 ZINC000409411834 263557743 /nfs/dbraw/zinc/55/77/43/263557743.db2.gz LUYUFXOQPDNVBX-UHFFFAOYSA-N 0 0 371.245 4.941 40 5 FJBBRN CC[C@@H](NC(=O)CSCc1ccc([N+](=O)[O-])cc1)c1ccc(C)cc1C ZINC000218052373 522692125 /nfs/dbraw/zinc/69/21/25/522692125.db2.gz AIRPAMZENFIWFR-LJQANCHMSA-N 0 0 372.490 4.712 40 5 FJBBRN CC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000020454424 522877610 /nfs/dbraw/zinc/87/76/10/522877610.db2.gz BTQBGSXGOTUVJM-FQEVSTJZSA-N 0 0 364.401 4.853 40 5 FJBBRN CCOc1cccc(C(=O)Nc2cc(Cl)c([N+](=O)[O-])cc2Cl)c1 ZINC000072229463 570535273 /nfs/dbraw/zinc/53/52/73/570535273.db2.gz SXLQNTKTSLWOAB-UHFFFAOYSA-N 0 0 355.177 4.553 40 5 FJBBRN Cc1noc(/C=C\c2cccc(OCCOc3ccccc3)c2)c1[N+](=O)[O-] ZINC000408541631 570567481 /nfs/dbraw/zinc/56/74/81/570567481.db2.gz DUAANHIOXIBMFV-KHPPLWFESA-N 0 0 366.373 4.519 40 5 FJBBRN O=[N+]([O-])c1cccc(NCc2cccc(OCc3ccc(F)cc3)c2)c1 ZINC000408553719 570567926 /nfs/dbraw/zinc/56/79/26/570567926.db2.gz BMZVETRXHHPREH-UHFFFAOYSA-N 0 0 352.365 4.925 40 5 FJBBRN COc1ccc(NC(=O)c2ccc(-c3cccc(Cl)c3)o2)cc1[N+](=O)[O-] ZINC000408620597 570570439 /nfs/dbraw/zinc/57/04/39/570570439.db2.gz HPGNOCWHMXVYND-UHFFFAOYSA-N 0 0 372.764 4.769 40 5 FJBBRN CC[C@H](C)c1ccc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1 ZINC000408622601 570570694 /nfs/dbraw/zinc/57/06/94/570570694.db2.gz PIFGUEFPAPUFJX-HNNXBMFYSA-N 0 0 367.449 4.961 40 5 FJBBRN CCCCOc1ccc(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc1OCC ZINC000408625599 570570706 /nfs/dbraw/zinc/57/07/06/570570706.db2.gz XOOWOPNRAVDGBT-UHFFFAOYSA-N 0 0 372.421 4.733 40 5 FJBBRN O=C(CSCc1cccc([N+](=O)[O-])c1)Nc1cccc(Cl)c1Cl ZINC000408723806 570573656 /nfs/dbraw/zinc/57/36/56/570573656.db2.gz PSLKUKCXXDVEOL-UHFFFAOYSA-N 0 0 371.245 4.774 40 5 FJBBRN Cc1sc2nc(-c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)[nH]c(=O)c2c1C ZINC000408734762 570573732 /nfs/dbraw/zinc/57/37/32/570573732.db2.gz JIDNQSWVFOYMIZ-UHFFFAOYSA-N 0 0 367.386 4.849 40 5 FJBBRN CCN(CC)c1ccc([N+](=O)[O-])cc1/C=C1/Sc2ccccc2NC1=O ZINC000409091920 570581192 /nfs/dbraw/zinc/58/11/92/570581192.db2.gz VRLILDOODKNVFT-LDADJPATSA-N 0 0 369.446 4.526 40 5 FJBBRN O=C1Nc2ccccc2/C1=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)cc1 ZINC000409110299 570581349 /nfs/dbraw/zinc/58/13/49/570581349.db2.gz BGBHYKGRHOWYCI-MOSHPQCFSA-N 0 0 372.380 4.667 40 5 FJBBRN Cc1cc(-c2ccc(Cl)cc2)nc(Sc2ccc([N+](=O)[O-])cn2)n1 ZINC000409386736 570587950 /nfs/dbraw/zinc/58/79/50/570587950.db2.gz XDTPXISJCHIJDX-UHFFFAOYSA-N 0 0 358.810 4.560 40 5 FJBBRN Cc1ccc(C2=Nc3ccc(C)cc3C(c3ccc([N+](=O)[O-])cc3)=NN2)cc1 ZINC000004954629 570673850 /nfs/dbraw/zinc/67/38/50/570673850.db2.gz OHQXMJPDPKUDGS-UHFFFAOYSA-N 0 0 370.412 4.646 40 5 FJBBRN CC1CCN(C(=O)c2ccc3sc4nc5ccccc5nc4c3c2)CC1 ZINC000408974762 570705833 /nfs/dbraw/zinc/70/58/33/570705833.db2.gz DNXYIROHIZJQLN-UHFFFAOYSA-N 0 0 361.470 4.870 40 5 FJBBRN COc1ccc(NC(=S)Nc2cc3ccncc3c3ncccc23)cc1 ZINC000408974687 570705922 /nfs/dbraw/zinc/70/59/22/570705922.db2.gz GSQDFUXTIZBRSI-UHFFFAOYSA-N 0 0 360.442 4.601 40 5 FJBBRN COc1cccc(NC(=S)Nc2ccc3nc4ccccc4nc3c2)c1 ZINC000408976055 570706218 /nfs/dbraw/zinc/70/62/18/570706218.db2.gz OWVZBXJSZOCFKZ-UHFFFAOYSA-N 0 0 360.442 4.601 40 5 FJBBRN CCOc1ccc(NC(=S)Nc2cc3ccncc3c3ncccc23)cc1 ZINC000408977538 570706979 /nfs/dbraw/zinc/70/69/79/570706979.db2.gz WNKXLPZVHDYPGF-UHFFFAOYSA-N 0 0 374.469 4.991 40 5 FJBBRN CC[C@H](C)N1C(=O)S/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1=O ZINC000409010813 570712228 /nfs/dbraw/zinc/71/22/28/570712228.db2.gz LPPFUBVJDZEJSN-YAFRSCOQSA-N 0 0 372.402 4.690 40 5 FJBBRN C[C@H]1Cc2ccccc2N1C(=O)Nc1cc2cccnc2c2ncccc12 ZINC000006455837 570781729 /nfs/dbraw/zinc/78/17/29/570781729.db2.gz MFRRSXAUMUJGQW-AWEZNQCLSA-N 0 0 354.413 4.766 40 5 FJBBRN COc1cccc(C(=O)Oc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)c1 ZINC000004481550 570796678 /nfs/dbraw/zinc/79/66/78/570796678.db2.gz RGBHNPPAJHLUPG-UHFFFAOYSA-N 0 0 365.341 4.615 40 5 FJBBRN Cc1c(NC(=O)[C@H](C)Sc2ccc(Cl)cc2)cccc1[N+](=O)[O-] ZINC000008331181 571041438 /nfs/dbraw/zinc/04/14/38/571041438.db2.gz MYZLEWZZYUBESQ-NSHDSACASA-N 0 0 350.827 4.676 40 5 FJBBRN COc1cc(C)c([C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)cc1C(C)C ZINC000223263636 571067481 /nfs/dbraw/zinc/06/74/81/571067481.db2.gz GLYBILLTSQVSGV-AWEZNQCLSA-N 0 0 356.422 4.526 40 5 FJBBRN O=C(CCc1cccc2ccccc21)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000222670533 571145540 /nfs/dbraw/zinc/14/55/40/571145540.db2.gz NSJNTRMKMIXMBU-UHFFFAOYSA-N 0 0 354.793 4.973 40 5 FJBBRN O=[N+]([O-])c1cc(-c2nc(-c3cccc(OC(F)F)c3)no2)ccc1Cl 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FJBBRN CCOc1cc(/C=C/[N+](=O)[O-])cc(Cl)c1OCc1ccccc1F ZINC000107736382 571306965 /nfs/dbraw/zinc/30/69/65/571306965.db2.gz SMBHKOIHJFUOKS-BQYQJAHWSA-N 0 0 351.761 4.704 40 5 FJBBRN Cc1c(C(=O)Nc2ccc(N3CCCC[C@@H]3C)cc2)cccc1[N+](=O)[O-] ZINC000009064451 571321025 /nfs/dbraw/zinc/32/10/25/571321025.db2.gz DUXLAWIJXVDJDZ-AWEZNQCLSA-N 0 0 353.422 4.534 40 5 FJBBRN O=C1OC[C@@H](Cc2ccccc2)N1c1ccc(-c2ccccc2[N+](=O)[O-])cc1 ZINC000069593645 571322736 /nfs/dbraw/zinc/32/27/36/571322736.db2.gz SKBWHYGRLXEXDI-LJQANCHMSA-N 0 0 374.396 4.830 40 5 FJBBRN Cc1ccc(C(C)C)c(OCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000019162897 571323401 /nfs/dbraw/zinc/32/34/01/571323401.db2.gz DHFUEQPZUBWPQG-UHFFFAOYSA-N 0 0 362.813 4.698 40 5 FJBBRN O=C(CSCc1ccccc1Cl)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000021125543 571333004 /nfs/dbraw/zinc/33/30/04/571333004.db2.gz DKUWUUOHDYHRBS-UHFFFAOYSA-N 0 0 371.245 4.774 40 5 FJBBRN O=C(Nc1cccc(Cl)c1Cl)C1(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000225991068 571339059 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CCCCN1C(=O)S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1=O ZINC000005552426 207105736 /nfs/dbraw/zinc/10/57/36/207105736.db2.gz QMTQKZNTQJUJIF-LFIBNONCSA-N 0 0 372.402 4.691 40 5 FJBBRN CC[C@H](C)c1ccccc1NC(=S)NC(=O)c1cccc([N+](=O)[O-])c1C ZINC000006243489 207134852 /nfs/dbraw/zinc/13/48/52/207134852.db2.gz JNUFTWKRDYFNDA-LBPRGKRZSA-N 0 0 371.462 4.544 40 5 FJBBRN CC[C@@H](C)c1ccccc1NC(=S)NC(=O)c1cccc([N+](=O)[O-])c1C ZINC000006243192 207135245 /nfs/dbraw/zinc/13/52/45/207135245.db2.gz JNUFTWKRDYFNDA-GFCCVEGCSA-N 0 0 371.462 4.544 40 5 FJBBRN COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000006641012 207150452 /nfs/dbraw/zinc/15/04/52/207150452.db2.gz BCVJTNVWEQCIIL-FARCUNLSSA-N 0 0 367.188 4.562 40 5 FJBBRN Cc1ccc([C@@H](NC(=O)c2cccc([N+](=O)[O-])c2C)c2ccccc2)cc1 ZINC000014577296 207521378 /nfs/dbraw/zinc/52/13/78/207521378.db2.gz YITOWCMYYRZJSV-NRFANRHFSA-N 0 0 360.413 4.731 40 5 FJBBRN CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000030864370 208005460 /nfs/dbraw/zinc/00/54/60/208005460.db2.gz CJIWYWDTDLPTQP-OAHLLOKOSA-N 0 0 350.827 4.758 40 5 FJBBRN CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000020046532 220309846 /nfs/dbraw/zinc/30/98/46/220309846.db2.gz FVPITJKOHNJKPN-QGZVFWFLSA-N 0 0 362.813 4.661 40 5 FJBBRN COc1ccc2c(ccc3c2cc2n(c3=O)CCc3c4ccccc4[nH]c3-2)c1 ZINC000085341281 208964082 /nfs/dbraw/zinc/96/40/82/208964082.db2.gz ZULICYPKJREYOP-UHFFFAOYSA-N 0 0 366.420 4.868 40 5 biogenic,in-vitro FJBBRN O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1ccccc1F ZINC000005869296 263343738 /nfs/dbraw/zinc/34/37/38/263343738.db2.gz ZYBJPONCVRWWBU-ZRDIBKRKSA-N 0 0 352.321 4.646 40 5 FJBBRN Cc1ccc(C)c2sc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)nc21 ZINC000009141219 263360144 /nfs/dbraw/zinc/36/01/44/263360144.db2.gz LGERXLDNLCDFOB-UHFFFAOYSA-N 0 0 361.810 4.727 40 5 FJBBRN O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1cc([N+](=O)[O-])ccc1F ZINC000021595412 263383653 /nfs/dbraw/zinc/38/36/53/263383653.db2.gz ZSQCQDWWDBYJLZ-DHZHZOJOSA-N 0 0 352.321 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CC[C@H](C)c1ccccc1NC(=S)NC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000006243408 570644006 /nfs/dbraw/zinc/64/40/06/570644006.db2.gz NWTDXHFYKJGPEA-LBPRGKRZSA-N 0 0 371.462 4.544 40 5 FJBBRN O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CC2c3ccccc3C1c1ccccc12 ZINC000004697595 570670650 /nfs/dbraw/zinc/67/06/50/570670650.db2.gz ZMXNGULFZNTBDA-ATKRNPRHSA-N 0 0 370.408 4.831 40 5 FJBBRN Cc1ccc(NC(=O)c2ccc3nc4[nH]c5ccccc5c4nc3c2)cc1 ZINC000408721210 570675721 /nfs/dbraw/zinc/67/57/21/570675721.db2.gz FAHQMLSQORMSBV-UHFFFAOYSA-N 0 0 352.397 4.825 40 5 FJBBRN O=C(Nc1ccc(Cl)cc1Cl)c1coc2ccc([N+](=O)[O-])cc12 ZINC000408967147 570704670 /nfs/dbraw/zinc/70/46/70/570704670.db2.gz QBXSMQZZHOZVND-UHFFFAOYSA-N 0 0 351.145 4.900 40 5 FJBBRN O=C(NCc1ccccc1)c1ccc2sc3nc4ccccc4nc3c2c1 ZINC000408974485 570705442 /nfs/dbraw/zinc/70/54/42/570705442.db2.gz AKSBAFCPBJQJJE-UHFFFAOYSA-N 0 0 369.449 4.928 40 5 FJBBRN C[C@H]1Cc2ccccc2N1C(=O)Nc1cc2ccncc2c2ncccc12 ZINC000408973946 570705520 /nfs/dbraw/zinc/70/55/20/570705520.db2.gz CWLCYKGPSZUKLV-AWEZNQCLSA-N 0 0 354.413 4.766 40 5 FJBBRN C[C@@H]1Cc2ccccc2N1C(=O)Nc1cc2cccnc2c2cccnc12 ZINC000408973339 570705522 /nfs/dbraw/zinc/70/55/22/570705522.db2.gz AODZPNWYQXMGRE-CQSZACIVSA-N 0 0 354.413 4.766 40 5 FJBBRN O=C(Nc1ccccc1F)c1ccc2[nH]c3nc4ccccc4nc3c2c1 ZINC000408974980 570705838 /nfs/dbraw/zinc/70/58/38/570705838.db2.gz HCZGEDWHNNZDTO-UHFFFAOYSA-N 0 0 356.360 4.656 40 5 FJBBRN COc1ccc(NC(=S)Nc2ccc3nc4ccccc4nc3c2)cc1 ZINC000408975407 570706224 /nfs/dbraw/zinc/70/62/24/570706224.db2.gz JOJQPIOZXZKGBO-UHFFFAOYSA-N 0 0 360.442 4.601 40 5 FJBBRN O=C(Nc1cc2ccncc2c2ncccc12)N1CC[C@H](c2ccccc2)C1 ZINC000408978155 570707036 /nfs/dbraw/zinc/70/70/36/570707036.db2.gz YLIGNMQZFQGDBY-SFHVURJKSA-N 0 0 368.440 4.804 40 5 FJBBRN O=C1Nc2ccccc2S/C1=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000409105331 570726528 /nfs/dbraw/zinc/72/65/28/570726528.db2.gz IMOBIHZMPZEOHL-WQRHYEAKSA-N 0 0 364.382 4.940 40 5 FJBBRN Cc1ccc(NC(=O)CSc2ccc3ccccc3c2)cc1[N+](=O)[O-] ZINC000409179903 570735149 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/nfs/dbraw/zinc/28/51/82/571285182.db2.gz LQHAXFCWNZQTSW-UHFFFAOYSA-N 0 0 353.403 4.533 40 5 FJBBRN CC[C@@H](C)c1ccccc1NC(=S)NC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000006243093 571295527 /nfs/dbraw/zinc/29/55/27/571295527.db2.gz NWTDXHFYKJGPEA-GFCCVEGCSA-N 0 0 371.462 4.544 40 5 FJBBRN CN(C)c1ccc(NC(=S)Nc2ccc3nc4ccccc4nc3c2)cc1 ZINC000006351401 571296118 /nfs/dbraw/zinc/29/61/18/571296118.db2.gz ZOGJDWNTTWLTON-UHFFFAOYSA-N 0 0 373.485 4.658 40 5 FJBBRN O=C(OCc1ccccc1[N+](=O)[O-])c1ccc(OCc2ccccc2)cc1 ZINC000006597288 571296885 /nfs/dbraw/zinc/29/68/85/571296885.db2.gz RFYFVFRZFKNRGB-UHFFFAOYSA-N 0 0 363.369 4.531 40 5 FJBBRN CC(C)(C)NC(=O)Nc1ccc2sc3nc4ccccc4nc3c2c1 ZINC000006761733 571297251 /nfs/dbraw/zinc/29/72/51/571297251.db2.gz GJIQEZMTOBBZTD-UHFFFAOYSA-N 0 0 350.447 4.918 40 5 FJBBRN S=C(NCCC1=CCCCC1)Nc1cc2cccnc2c2ncccc12 ZINC000001104205 571309488 /nfs/dbraw/zinc/30/94/88/571309488.db2.gz ADDUSLSMLXEQFP-UHFFFAOYSA-N 0 0 362.502 4.960 40 5 FJBBRN Cc1ccc(C(=O)Nc2ccc(N3CCCC[C@H]3C)cc2)cc1[N+](=O)[O-] ZINC000009064450 571320968 /nfs/dbraw/zinc/32/09/68/571320968.db2.gz PVVZEMTXCHROFU-OAHLLOKOSA-N 0 0 353.422 4.534 40 5 FJBBRN Cc1cc(C(=O)Nc2ccc(N3CCCC[C@H]3C)cc2)ccc1[N+](=O)[O-] ZINC000009064402 571321010 /nfs/dbraw/zinc/32/10/10/571321010.db2.gz GGIMLZAITVMUBR-OAHLLOKOSA-N 0 0 353.422 4.534 40 5 FJBBRN Cc1c(NC(=O)CCc2ccc(Cl)cc2Cl)cccc1[N+](=O)[O-] ZINC000225371647 571321107 /nfs/dbraw/zinc/32/11/07/571321107.db2.gz UYMRDUDLVOGTMH-UHFFFAOYSA-N 0 0 353.205 4.781 40 5 FJBBRN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccc(Cl)cc1C(F)(F)F ZINC000096505889 571336084 /nfs/dbraw/zinc/33/60/84/571336084.db2.gz AFFZSIHSOXYMMM-FPYGCLRLSA-N 0 0 370.714 4.919 40 5 FJBBRN CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000225763472 571338201 /nfs/dbraw/zinc/33/82/01/571338201.db2.gz LNFJDEJWQFTTCW-FQEVSTJZSA-N 0 0 368.433 4.578 40 5 FJBBRN O=C(Nc1cccc([N+](=O)[O-])c1)C(Cc1ccccc1)Cc1ccccc1 ZINC000002732303 571340658 /nfs/dbraw/zinc/34/06/58/571340658.db2.gz ODVYLBMPGYYODP-UHFFFAOYSA-N 0 0 360.413 4.635 40 5 FJBBRN Cc1ccccc1[C@H](NC(=O)c1ccc([N+](=O)[O-])c(C)c1)c1ccccc1 ZINC000216280259 571342254 /nfs/dbraw/zinc/34/22/54/571342254.db2.gz GHWABWQRFWPGGN-OAQYLSRUSA-N 0 0 360.413 4.731 40 5 FJBBRN CC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000030864376 571349179 /nfs/dbraw/zinc/34/91/79/571349179.db2.gz CJIWYWDTDLPTQP-HNNXBMFYSA-N 0 0 350.827 4.758 40 5 FJBBRN O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000059055292 571354885 /nfs/dbraw/zinc/35/48/85/571354885.db2.gz HZZZXXRNRABZJS-DHZHZOJOSA-N 0 0 352.321 4.646 40 5 FJBBRN Cc1cccc(C)c1NC(=O)CSCc1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000059459176 571357265 /nfs/dbraw/zinc/35/72/65/571357265.db2.gz WXOHZXRMLDIYAK-UHFFFAOYSA-N 0 0 369.446 4.565 40 5 FJBBRN Cc1ccc(OCCNc2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1C ZINC000059475460 571357335 /nfs/dbraw/zinc/35/73/35/571357335.db2.gz SGCIZRKXSWXTOF-UHFFFAOYSA-N 0 0 354.328 4.721 40 5 FJBBRN CCCc1sc(NC(=O)c2ccccc2[N+](=O)[O-])nc1-c1ccccc1 ZINC000059482651 571357407 /nfs/dbraw/zinc/35/74/07/571357407.db2.gz SJJWUXRNJQUGOY-UHFFFAOYSA-N 0 0 367.430 4.923 40 5 FJBBRN O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1ccc(F)cc1F ZINC000008071786 571358722 /nfs/dbraw/zinc/35/87/22/571358722.db2.gz WDATVOBRRDKEJE-JXMROGBWSA-N 0 0 370.311 4.785 40 5 FJBBRN