smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(Nc1ccc(-c2ccc(Cl)cc2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000000799885 219322716 /nfs/dbraw/zinc/32/27/16/219322716.db2.gz GCKVTETXBWHROT-UHFFFAOYSA-N 0 0 352.777 5.168 40 5 FKBBRN Cc1ccc(NC(=O)c2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)c(C)c1 ZINC000000828586 206133599 /nfs/dbraw/zinc/13/35/99/206133599.db2.gz SWTIZKROMCUJDH-UHFFFAOYSA-N 0 0 362.385 5.256 40 5 FKBBRN O=[N+]([O-])c1ccc2[nH]c(SCc3ccc(Cl)c(Cl)c3)nc2c1 ZINC000000840019 568320089 /nfs/dbraw/zinc/32/00/89/568320089.db2.gz PUIOCFWMJBXXQZ-UHFFFAOYSA-N 0 0 354.218 5.070 40 5 FKBBRN O=C(C[C@@H](SCc1ccco1)c1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000000844674 209378323 /nfs/dbraw/zinc/37/83/23/209378323.db2.gz CTFKARBVOMDLRK-GOSISDBHSA-N 0 0 373.455 5.497 40 5 FKBBRN O=C(C[C@H](SCc1ccco1)c1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000000844675 209378845 /nfs/dbraw/zinc/37/88/45/209378845.db2.gz CTFKARBVOMDLRK-SFHVURJKSA-N 0 0 373.455 5.497 40 5 FKBBRN O=c1oc2ccc3ccccc3c2cc1-c1nnc(-c2ccc(Cl)cc2)o1 ZINC000000856249 209378614 /nfs/dbraw/zinc/37/86/14/209378614.db2.gz LNCHRFMYPRXDOG-UHFFFAOYSA-N 0 0 374.783 5.317 40 5 FKBBRN O=c1oc2ccc3ccccc3c2cc1-c1cn2c3ccccc3sc2n1 ZINC000000856320 206136766 /nfs/dbraw/zinc/13/67/66/206136766.db2.gz YGHDONGSZKOBGS-UHFFFAOYSA-N 0 0 368.417 5.476 40 5 FKBBRN Cc1ccc(NC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3C)o2)cc1C ZINC000000861629 209378505 /nfs/dbraw/zinc/37/85/05/209378505.db2.gz SWBRCOLJNOVGCK-UHFFFAOYSA-N 0 0 350.374 5.032 40 5 FKBBRN Cc1cc([N+](=O)[O-])ccc1-c1ccc(C(=O)Nc2ccc3ccccc3c2)o1 ZINC000000861638 219333592 /nfs/dbraw/zinc/33/35/92/219333592.db2.gz BGLGFMFKLIAYOM-UHFFFAOYSA-N 0 0 372.380 5.569 40 5 FKBBRN Cc1ccc2c(Cl)c(C(=O)Nc3ccc(C)c([N+](=O)[O-])c3)sc2c1 ZINC000000863003 219332853 /nfs/dbraw/zinc/33/28/53/219332853.db2.gz QEYUPJZQEXWNBH-UHFFFAOYSA-N 0 0 360.822 5.332 40 5 FKBBRN CC(C)(C)c1ccc(CSc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000000863285 219333390 /nfs/dbraw/zinc/33/33/90/219333390.db2.gz HCHRHGJKCJJWKQ-UHFFFAOYSA-N 0 0 369.446 5.235 40 5 FKBBRN O=C(c1ccccc1)c1ccc(Oc2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000000868208 219333356 /nfs/dbraw/zinc/33/33/56/219333356.db2.gz MXZILEWGMUAFKN-UHFFFAOYSA-N 0 0 353.761 5.272 40 5 FKBBRN O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)Nc1ccc(Cl)cc1 ZINC000000957915 209384222 /nfs/dbraw/zinc/38/42/22/209384222.db2.gz LNZQOZGMMNIBEO-UHFFFAOYSA-N 0 0 374.809 5.016 40 5 FKBBRN Cc1ccc(NC(=O)/C=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)c(C)c1 ZINC000001053142 219359755 /nfs/dbraw/zinc/35/97/55/219359755.db2.gz NCEYYJSNUUSEAB-FMIVXFBMSA-N 0 0 362.385 5.124 40 5 FKBBRN O=[N+]([O-])c1ccc([C@H](Nc2cccnc2)Sc2ccc(Cl)cc2)cc1 ZINC000001061000 210312109 /nfs/dbraw/zinc/31/21/09/210312109.db2.gz UBKKSRKBIVIXGI-GOSISDBHSA-N 0 0 371.849 5.546 40 5 FKBBRN O=[N+]([O-])c1ccc([C@@H](Nc2cccnc2)Sc2ccc(Cl)cc2)cc1 ZINC000001061003 219361347 /nfs/dbraw/zinc/36/13/47/219361347.db2.gz UBKKSRKBIVIXGI-SFHVURJKSA-N 0 0 371.849 5.546 40 5 FKBBRN Cc1ccc2cc3c(nc2c1)sc1c3ncnc1SCc1cccnc1 ZINC000001327791 206146649 /nfs/dbraw/zinc/14/66/49/206146649.db2.gz TWAGXZUTEDSDST-UHFFFAOYSA-N 0 0 374.494 5.388 40 5 FKBBRN O=C(Nc1ccc(Cl)cc1)Nc1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000001421598 571070619 /nfs/dbraw/zinc/07/06/19/571070619.db2.gz UFAOEYPMYYQDGE-UHFFFAOYSA-N 0 0 367.792 5.559 40 5 FKBBRN COc1ccc(-c2c3c(ccc4ccccc43)nc3c2C(=O)CCC3)cc1 ZINC000001440365 570499914 /nfs/dbraw/zinc/49/99/14/570499914.db2.gz MLTWXEUJMBLLPZ-UHFFFAOYSA-N 0 0 353.421 5.583 40 5 FKBBRN O=[N+]([O-])c1cccc([C@@H]2CC(c3cccnc3)=Nc3ccccc3S2)c1 ZINC000001448936 206883580 /nfs/dbraw/zinc/88/35/80/206883580.db2.gz JZUZBIOVYOCJDC-FQEVSTJZSA-N 0 0 361.426 5.348 40 5 FKBBRN O=[N+]([O-])c1cccc([C@H]2CC(c3cccnc3)=Nc3ccccc3S2)c1 ZINC000001448937 204008682 /nfs/dbraw/zinc/00/86/82/204008682.db2.gz JZUZBIOVYOCJDC-HXUWFJFHSA-N 0 0 361.426 5.348 40 5 FKBBRN Cc1ccc(OCCn2c3ccccc3c3nc4ccccc4nc32)c(C)c1 ZINC000001452074 204008767 /nfs/dbraw/zinc/00/87/67/204008767.db2.gz CZNFLACLLITXDI-UHFFFAOYSA-N 0 0 367.452 5.434 40 5 FKBBRN Cc1ccc(OCCn2c3ccccc3c3nc4ccccc4nc32)cc1C ZINC000001452075 210354006 /nfs/dbraw/zinc/35/40/06/210354006.db2.gz FPZWFWPWYJUWQW-UHFFFAOYSA-N 0 0 367.452 5.434 40 5 FKBBRN c1ccc2cc3c(cc2c1)cc1c2ccccc2c2cccc4ccc3c1c42 ZINC000001562135 204012542 /nfs/dbraw/zinc/01/25/42/204012542.db2.gz YEVOPXRNZORJGM-UHFFFAOYSA-N 0 0 352.436 8.044 40 5 FKBBRN O=[N+]([O-])c1ccc(-c2csc(-c3ccc(Br)cc3)n2)cc1 ZINC000001563993 571159935 /nfs/dbraw/zinc/15/99/35/571159935.db2.gz OSWHDWOIBKBEIH-UHFFFAOYSA-N 0 0 361.220 5.148 40 5 FKBBRN CCOc1ccc(NC(=O)OCc2c3ccccc3cc3ccccc32)cc1 ZINC000001566129 570501688 /nfs/dbraw/zinc/50/16/88/570501688.db2.gz OXCYJZGCUULHMU-UHFFFAOYSA-N 0 0 371.436 6.140 40 5 FKBBRN O=S(=O)(Nc1ccc2ccc3cccc4ccc1c2c34)c1ccccc1 ZINC000001573337 570502063 /nfs/dbraw/zinc/50/20/63/570502063.db2.gz HYVGZKMKDJGPNL-UHFFFAOYSA-N 0 0 357.434 5.385 40 5 FKBBRN c1ccc(CSc2nnc3c4ccccc4c4ccccc4c3n2)cc1 ZINC000001573829 560182528 /nfs/dbraw/zinc/18/25/28/560182528.db2.gz VNLBCJYVPMIDDO-UHFFFAOYSA-N 0 0 353.450 5.624 40 5 in-vitro FKBBRN Cc1c2[nH]c3ccccc3c2c(C)c2c1ccn1c2cc2ccccc2c1=O ZINC000001575074 210359231 /nfs/dbraw/zinc/35/92/31/210359231.db2.gz NEQKPLZKRLKWIN-UHFFFAOYSA-N 0 0 362.432 5.857 40 5 FKBBRN CCc1ccc2c(c1)c(-c1ccccc1)c1ccccc1c2-c1ccccc1 ZINC000001577896 210360865 /nfs/dbraw/zinc/36/08/65/210360865.db2.gz QXCNJVKEGITMFD-UHFFFAOYSA-N 0 0 358.484 7.889 40 5 FKBBRN CC(=O)Nc1c(Cl)c2c(c(Cl)c1Cl)-c1ccc([N+](=O)[O-])cc1C2 ZINC000001596416 204013468 /nfs/dbraw/zinc/01/34/68/204013468.db2.gz BPZCCCGPFKJCPV-UHFFFAOYSA-N 0 0 371.607 5.085 40 5 FKBBRN CC(C)(C)c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Cl)c1 ZINC000001597103 204013902 /nfs/dbraw/zinc/01/39/02/204013902.db2.gz NWDJVRFYXLWLEC-UHFFFAOYSA-N 0 0 350.758 5.246 40 5 FKBBRN CCOC(=O)Nc1c2ccccc2c(NC(=O)OCC)c2ccccc21 ZINC000001600628 204013355 /nfs/dbraw/zinc/01/33/55/204013355.db2.gz BUNBNHLGPZGOAI-UHFFFAOYSA-N 0 0 352.390 5.130 40 5 FKBBRN O=C(c1ccccc1)c1c2ccccc2c(Br)c2ccccc21 ZINC000001601602 204013013 /nfs/dbraw/zinc/01/30/13/204013013.db2.gz BBAIQHNZWCCRMR-UHFFFAOYSA-N 0 0 361.238 5.987 40 5 FKBBRN O=C(c1ccccc1)c1c2ccccc2c(-c2ccccc2)c2ccccc21 ZINC000001601604 570502555 /nfs/dbraw/zinc/50/25/55/570502555.db2.gz BTLWICYKBSLCSZ-UHFFFAOYSA-N 0 0 358.440 6.891 40 5 FKBBRN O=C(c1ccc(-c2c3ccccc3cc3c4ccccc4ccc32)cc1)N1CC1 ZINC000001615633 219412766 /nfs/dbraw/zinc/41/27/66/219412766.db2.gz UWKCYBNRRAJFAB-UHFFFAOYSA-N 0 0 373.455 6.269 40 5 FKBBRN O=C1O/C(=C(/Cl)c2c3ccccc3cc3ccccc32)c2ccccc21 ZINC000001639384 206890422 /nfs/dbraw/zinc/89/04/22/206890422.db2.gz ATVGZQGJWVXZJF-QURGRASLSA-N 0 0 356.808 6.228 40 5 FKBBRN O=c1oc2ccc3ccccc3c2c(-c2ccc(O)cc2)c1-c1ccccc1 ZINC000001639790 204015234 /nfs/dbraw/zinc/01/52/34/204015234.db2.gz YYHWEXREBSYECT-UHFFFAOYSA-N 0 0 364.400 5.986 40 5 FKBBRN CC[C@@H]([C@@H](c1ccc(Cl)cc1)c1ccc(Cl)c(Cl)c1)[N+](=O)[O-] ZINC000001640935 204015399 /nfs/dbraw/zinc/01/53/99/204015399.db2.gz FYMLWUOEFLJYOV-HOTGVXAUSA-N 0 0 358.652 5.834 40 5 FKBBRN CC[C@H]([C@@H](c1ccc(Cl)cc1)c1ccc(Cl)c(Cl)c1)[N+](=O)[O-] ZINC000001640936 210363618 /nfs/dbraw/zinc/36/36/18/210363618.db2.gz FYMLWUOEFLJYOV-CVEARBPZSA-N 0 0 358.652 5.834 40 5 FKBBRN CC[C@@H]([C@H](c1ccc(Cl)cc1)c1ccc(Cl)c(Cl)c1)[N+](=O)[O-] ZINC000001640937 571161769 /nfs/dbraw/zinc/16/17/69/571161769.db2.gz FYMLWUOEFLJYOV-JKSUJKDBSA-N 0 0 358.652 5.834 40 5 FKBBRN CC[C@H]([C@H](c1ccc(Cl)cc1)c1ccc(Cl)c(Cl)c1)[N+](=O)[O-] ZINC000001640938 571161703 /nfs/dbraw/zinc/16/17/03/571161703.db2.gz FYMLWUOEFLJYOV-HZPDHXFCSA-N 0 0 358.652 5.834 40 5 FKBBRN c1c2ccccc2sc1-c1c2ccccc2cc2c3ccccc3ccc21 ZINC000001654326 570503629 /nfs/dbraw/zinc/50/36/29/570503629.db2.gz PUKTVQWSIXMMPH-UHFFFAOYSA-N 0 0 360.481 8.028 40 5 FKBBRN c1c2ccccc2sc1-c1c2ccccc2cc2ccc3ccccc3c21 ZINC000001656970 206891552 /nfs/dbraw/zinc/89/15/52/206891552.db2.gz SJVMNTJUTHEADO-UHFFFAOYSA-N 0 0 360.481 8.028 40 5 in-vivo FKBBRN CC(=O)Oc1ccc(-c2c3ccccc3cc3c4ccccc4ccc32)cc1 ZINC000001656972 570503596 /nfs/dbraw/zinc/50/35/96/570503596.db2.gz PRTBMXPSPAIUIK-UHFFFAOYSA-N 0 0 362.428 6.739 40 5 FKBBRN c1ccc2c(c1)cccc2-c1c2ccccc2cc2c3ccccc3ccc21 ZINC000001656987 204015966 /nfs/dbraw/zinc/01/59/66/204015966.db2.gz RSAXKSGXULDTCJ-UHFFFAOYSA-N 0 0 354.452 7.966 40 5 FKBBRN O[C@]1(c2cccc3ccccc32)CCCc2cc3c(ccc4ccccc43)cc21 ZINC000001656989 210364457 /nfs/dbraw/zinc/36/44/57/210364457.db2.gz FVWOGDKCSUFHFD-NDEPHWFRSA-N 0 0 374.483 6.718 40 5 FKBBRN CC(C)c1cc(C(C)C)c(C(=O)c2ccc([N+](=O)[O-])cc2)c(C(C)C)c1 ZINC000001662240 571162560 /nfs/dbraw/zinc/16/25/60/571162560.db2.gz PSLQNERCHBBUPQ-UHFFFAOYSA-N 0 0 353.462 6.196 40 5 FKBBRN O=C(C[C@@H](Sc1ccccc1)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000001667678 571162514 /nfs/dbraw/zinc/16/25/14/571162514.db2.gz CNRMTHVOSOKTDM-OAQYLSRUSA-N 0 0 363.438 5.701 40 5 FKBBRN COc1ccc(-c2c3ccccc3c(OC(C)=O)c3cc(OC)ccc32)cc1 ZINC000001673515 210366196 /nfs/dbraw/zinc/36/61/96/210366196.db2.gz UVFUPDZZCQXOSQ-UHFFFAOYSA-N 0 0 372.420 5.603 40 5 FKBBRN O=[N+]([O-])c1ccc(Oc2cc(Cl)c(Cl)cc2Cl)c([N+](=O)[O-])c1 ZINC000001677203 571162836 /nfs/dbraw/zinc/16/28/36/571162836.db2.gz NCUUHDKFGVNRCZ-UHFFFAOYSA-N 0 0 363.540 5.256 40 5 FKBBRN O=[N+]([O-])c1ccc(Oc2c(Cl)cc(Cl)cc2Cl)c([N+](=O)[O-])c1 ZINC000001677204 571162957 /nfs/dbraw/zinc/16/29/57/571162957.db2.gz UGZNZKPKXZUJQO-UHFFFAOYSA-N 0 0 363.540 5.256 40 5 FKBBRN CC(C)(C)c1ccc(Oc2ccc([N+](=O)[O-])cc2)c(Br)c1 ZINC000001684101 571163152 /nfs/dbraw/zinc/16/31/52/571163152.db2.gz KKGIYAIKGWQFNU-UHFFFAOYSA-N 0 0 350.212 5.447 40 5 FKBBRN O=[N+]([O-])c1cc(C(F)(F)F)ccc1Oc1cccc(C(F)(F)F)c1 ZINC000001684209 204017142 /nfs/dbraw/zinc/01/71/42/204017142.db2.gz YBUGJACEYUHTTM-UHFFFAOYSA-N 0 0 351.202 5.425 40 5 FKBBRN O=[N+]([O-])c1cc(N(c2ccccc2)c2ccccc2)c(Cl)cc1Cl ZINC000001686660 210366188 /nfs/dbraw/zinc/36/61/88/210366188.db2.gz MNMDLUOJBIOCOJ-UHFFFAOYSA-N 0 0 359.212 6.371 40 5 FKBBRN CCCCOc1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000001689072 571163240 /nfs/dbraw/zinc/16/32/40/571163240.db2.gz AOQOXPPRTCVMPF-UHFFFAOYSA-N 0 0 355.312 5.585 40 5 in-vivo FKBBRN O=c1c(-c2ccccc2)c2c3cccc4cccc(c-2c1-c1ccccc1)c34 ZINC000001691969 570504924 /nfs/dbraw/zinc/50/49/24/570504924.db2.gz QQGHPFDLUNMBGJ-UHFFFAOYSA-N 0 0 356.424 6.668 40 5 FKBBRN CC(=O)OCCCC/C(=C/c1cc2ccccc2c2ccccc12)[N+](=O)[O-] ZINC000001699601 204017156 /nfs/dbraw/zinc/01/71/56/204017156.db2.gz ZPDYAHMIKLXMBU-CYVLTUHYSA-N 0 0 363.413 5.344 40 5 FKBBRN c1ccc2cc(-c3c4ccccc4cc4c5ccccc5ccc43)ccc2c1 ZINC000001702679 204017498 /nfs/dbraw/zinc/01/74/98/204017498.db2.gz USWQKAABTMVLGS-UHFFFAOYSA-N 0 0 354.452 7.966 40 5 FKBBRN COC(=O)c1ccccc1-c1c2ccccc2cc2c3ccccc3ccc21 ZINC000001702686 210366038 /nfs/dbraw/zinc/36/60/38/210366038.db2.gz GRFPDHRTTLZTBL-UHFFFAOYSA-N 0 0 362.428 6.600 40 5 FKBBRN CCOC(=O)c1cc(-c2ccc(Cl)cc2)nc2c3ccccc3ccc12 ZINC000001703600 210365713 /nfs/dbraw/zinc/36/57/13/210365713.db2.gz MFLXBUNGNZBRNC-UHFFFAOYSA-N 0 0 361.828 5.885 40 5 FKBBRN O=[N+]([O-])c1cccc([N+](=O)[O-])c1Oc1cc(Cl)c(Cl)cc1Cl ZINC000001707585 210367468 /nfs/dbraw/zinc/36/74/68/210367468.db2.gz JBZIMSHANFNDDT-UHFFFAOYSA-N 0 0 363.540 5.256 40 5 FKBBRN O=[N+]([O-])c1ccc(Oc2cccc(Br)c2)c(C(F)(F)F)c1 ZINC000001711049 571166442 /nfs/dbraw/zinc/16/64/42/571166442.db2.gz ZQUVMGUQQKVQBV-UHFFFAOYSA-N 0 0 362.101 5.168 40 5 FKBBRN O=[N+]([O-])c1cc([N+](=O)[O-])c(/C=C/c2ccco2)cc1/C=C/c1ccco1 ZINC000001714376 210367585 /nfs/dbraw/zinc/36/75/85/210367585.db2.gz JSPPUGNDSZAGJA-KQQUZDAGSA-N 0 0 352.302 5.030 40 5 FKBBRN O=[N+]([O-])c1cccc(Cl)c1Oc1cc(Cl)c(Cl)cc1Cl ZINC000001714708 210367222 /nfs/dbraw/zinc/36/72/22/210367222.db2.gz PRUOTBZRCQWFNT-UHFFFAOYSA-N 0 0 352.988 6.001 40 5 FKBBRN c1ccc([C@@H]2Oc3c(c4ccccc4c4ccccc34)[C@@H]2c2ccccc2)cc1 ZINC000001715115 210367964 /nfs/dbraw/zinc/36/79/64/210367964.db2.gz MTILRKCWWWZXOH-BDYUSTAISA-N 0 0 372.467 7.259 40 5 FKBBRN c1ccc([C@@H]2Oc3c(c4ccccc4c4ccccc34)[C@H]2c2ccccc2)cc1 ZINC000001715116 570505466 /nfs/dbraw/zinc/50/54/66/570505466.db2.gz MTILRKCWWWZXOH-VPUSJEBWSA-N 0 0 372.467 7.259 40 5 FKBBRN c1ccc([C@H]2Oc3c(c4ccccc4c4ccccc34)[C@@H]2c2ccccc2)cc1 ZINC000001715117 210367058 /nfs/dbraw/zinc/36/70/58/210367058.db2.gz MTILRKCWWWZXOH-AHKZPQOWSA-N 0 0 372.467 7.259 40 5 FKBBRN c1ccc([C@@H]2c3c(c4ccccc4c4ccccc34)O[C@@H]2c2ccccc2)cc1 ZINC000001715118 570505557 /nfs/dbraw/zinc/50/55/57/570505557.db2.gz MTILRKCWWWZXOH-XNMGPUDCSA-N 0 0 372.467 7.259 40 5 FKBBRN Clc1ccc2nc3nc(-c4ccccc4)c(-c4ccccc4)nc3nc2c1 ZINC000001717154 570505561 /nfs/dbraw/zinc/50/55/61/570505561.db2.gz KUHIXDFWQJQIGV-UHFFFAOYSA-N 0 0 368.827 5.560 40 5 FKBBRN Clc1nc2cc(Br)ccc2c2ccc(Br)cc12 ZINC000001721135 219416983 /nfs/dbraw/zinc/41/69/83/219416983.db2.gz LFSFTELECNLNLR-UHFFFAOYSA-N 0 0 371.459 5.566 40 5 FKBBRN CC(=O)Oc1c(-c2ccccc2)[nH]c2c1c1ccccc1c1ccccc21 ZINC000001721750 219416393 /nfs/dbraw/zinc/41/63/93/219416393.db2.gz VPLYCHFXDXZPGQ-UHFFFAOYSA-N 0 0 351.405 6.067 40 5 FKBBRN COc1cccc(/C=C2\c3ccccc3-c3ccc([N+](=O)[O-])cc32)c1OC ZINC000001724440 204018330 /nfs/dbraw/zinc/01/83/30/204018330.db2.gz AINMDERWAGNSEZ-XDHOZWIPSA-N 0 0 359.381 5.181 40 5 FKBBRN C[C@@H](c1ccccc1)[C@H](OC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000001734603 204017803 /nfs/dbraw/zinc/01/78/03/204017803.db2.gz OSNVKWYSQZCZLN-KKSFZXQISA-N 0 0 361.397 5.297 40 5 FKBBRN O=C(Nc1ccccc1)Oc1c(Cl)cc(Cl)c(Cl)c1[N+](=O)[O-] ZINC000001737286 219416455 /nfs/dbraw/zinc/41/64/55/219416455.db2.gz JHRWACNGISVENE-UHFFFAOYSA-N 0 0 361.568 5.166 40 5 FKBBRN O=[N+]([O-])c1ccc(/C=C/c2ccc(OCc3ccccc3)cc2)cc1Cl ZINC000001746568 571187476 /nfs/dbraw/zinc/18/74/76/571187476.db2.gz HKABRCYOSPZVCX-VOTSOKGWSA-N 0 0 365.816 5.998 40 5 FKBBRN O=[N+]([O-])c1ccc(-c2cc(-c3ccccc3)cc(-c3ccccc3)n2)cc1 ZINC000002146424 571280042 /nfs/dbraw/zinc/28/00/42/571280042.db2.gz QBPSOCXHLCGWEQ-UHFFFAOYSA-N 0 0 352.393 5.991 40 5 FKBBRN Clc1cccc2c1c(-c1ccccc1)c1ccccc1c2-c1ccccc1 ZINC000002166935 210381179 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O=[N+]([O-])c1cc(-c2nc(-c3ccc(Cl)c(Cl)c3)no2)ccc1Cl ZINC000022120177 211340056 /nfs/dbraw/zinc/34/00/56/211340056.db2.gz BCXVWQVNMIKACN-UHFFFAOYSA-N 0 0 370.579 5.272 40 5 FKBBRN CC(C)(C)c1ccc(-c2noc(-c3cc([N+](=O)[O-])ccc3Cl)n2)cc1 ZINC000022120188 204770210 /nfs/dbraw/zinc/77/02/10/204770210.db2.gz UMDUHWZGYGAAJC-UHFFFAOYSA-N 0 0 357.797 5.263 40 5 FKBBRN O=[N+]([O-])c1ccc(Cl)c(-c2nc(-c3ccc(Cl)cc3Cl)no2)c1 ZINC000022120229 571336392 /nfs/dbraw/zinc/33/63/92/571336392.db2.gz KZVDYRMJVVEJOJ-UHFFFAOYSA-N 0 0 370.579 5.272 40 5 FKBBRN O=[N+]([O-])c1ccc(Cl)c(-c2nc(-c3ccc(Cl)c(Cl)c3)no2)c1 ZINC000022120233 571336384 /nfs/dbraw/zinc/33/63/84/571336384.db2.gz SVSGIHZBMOALNS-UHFFFAOYSA-N 0 0 370.579 5.272 40 5 FKBBRN O=[N+]([O-])c1cccc(-n2cc(-c3ccc(Cl)cc3Cl)oc2=S)c1 ZINC000026442202 571162951 /nfs/dbraw/zinc/16/29/51/571162951.db2.gz OSNVIUGBMRXETK-UHFFFAOYSA-N 0 0 367.213 5.682 40 5 FKBBRN O=[N+]([O-])c1ccc(F)c(NCCC(c2ccccc2)c2ccccc2)c1 ZINC000026522340 220516318 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CCCCc1ccc2nc(NC(=O)c3ccc(C)c([N+](=O)[O-])c3)sc2c1 ZINC000032119236 571355972 /nfs/dbraw/zinc/35/59/72/571355972.db2.gz PKLYTIKDCZWDGO-UHFFFAOYSA-N 0 0 369.446 5.108 40 5 FKBBRN Cc1noc(/C=C\c2ccc(-c3ccc(Cl)cc3Cl)o2)c1[N+](=O)[O-] ZINC000033336812 568497386 /nfs/dbraw/zinc/49/73/86/568497386.db2.gz WVQJUDOJTOCZKZ-DAXSKMNVSA-N 0 0 365.172 5.628 40 5 FKBBRN O=C(CSc1cccc2ccccc21)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000033560681 571305487 /nfs/dbraw/zinc/30/54/87/571305487.db2.gz VYXYWDFDBYVYOD-UHFFFAOYSA-N 0 0 372.833 5.132 40 5 FKBBRN Cc1ccc(-c2ccc(C(=O)Nc3c(C)c(C)ccc3[N+](=O)[O-])o2)cc1C ZINC000033619552 571305604 /nfs/dbraw/zinc/30/56/04/571305604.db2.gz AKKDHKVRCIUIKR-UHFFFAOYSA-N 0 0 364.401 5.341 40 5 FKBBRN Cc1cc(C)c(NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c(C)c1 ZINC000033647031 570865044 /nfs/dbraw/zinc/86/50/44/570865044.db2.gz ZLSGLQBPYAPYJN-UHFFFAOYSA-N 0 0 350.374 5.032 40 5 FKBBRN Cc1noc(/C=C\c2cccc(OCc3ccc(Cl)cc3)c2)c1[N+](=O)[O-] ZINC000033653400 571305630 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O=[N+]([O-])c1ccc(COc2cccc(CNc3ccccc3Cl)c2)cc1 ZINC000033788169 571306008 /nfs/dbraw/zinc/30/60/08/571306008.db2.gz YNUKYVDOCOLTDJ-UHFFFAOYSA-N 0 0 368.820 5.439 40 5 FKBBRN O=[N+]([O-])/C=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Cl)c1 ZINC000033876868 571306047 /nfs/dbraw/zinc/30/60/47/571306047.db2.gz DPPJNYKWJDWROU-AATRIKPKSA-N 0 0 358.608 5.473 40 5 FKBBRN Cc1ccc(NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1Cl ZINC000033900160 263397251 /nfs/dbraw/zinc/39/72/51/263397251.db2.gz JLNUZZFPQJYPQF-UHFFFAOYSA-N 0 0 356.765 5.069 40 5 FKBBRN Cc1noc(/C=C\c2ccc(OCc3ccccc3Cl)cc2)c1[N+](=O)[O-] ZINC000034719936 571306093 /nfs/dbraw/zinc/30/60/93/571306093.db2.gz RUGLDHRQYDUVLF-FLIBITNWSA-N 0 0 370.792 5.294 40 5 FKBBRN O=[N+]([O-])c1cc(-c2nc(-c3cc(Cl)ccc3Cl)no2)ccc1Cl ZINC000034797731 571167339 /nfs/dbraw/zinc/16/73/39/571167339.db2.gz RGCHSNJXWFEJNO-UHFFFAOYSA-N 0 0 370.579 5.272 40 5 FKBBRN c1ccc(CSc2ncnc3c4cc5ccccc5nc4sc32)nc1 ZINC000035313189 204238066 /nfs/dbraw/zinc/23/80/66/204238066.db2.gz JRNHFERRTNXPES-UHFFFAOYSA-N 0 0 360.467 5.080 40 5 FKBBRN c1ccc2nc3sc4c(ncnc4SCc4cccnc4)c3cc2c1 ZINC000035313205 207130194 /nfs/dbraw/zinc/13/01/94/207130194.db2.gz FYBIHPDXQSENOM-UHFFFAOYSA-N 0 0 360.467 5.080 40 5 FKBBRN COC(=O)c1c(O)cccc1CCc1c2ccccc2cc2ccccc21 ZINC000035973635 220795028 /nfs/dbraw/zinc/79/50/28/220795028.db2.gz PNCQRYXRARFHCJ-UHFFFAOYSA-N 0 0 356.421 5.270 40 5 FKBBRN COC(=O)c1c(O)cccc1/C=C/c1c2ccccc2cc2ccccc21 ZINC000035973649 571169846 /nfs/dbraw/zinc/16/98/46/571169846.db2.gz ZAVUSCIOKBSLIB-BUHFOSPRSA-N 0 0 354.405 5.656 40 5 FKBBRN O=[N+]([O-])c1ccc(-c2sc(N3CCCCC3)nc2-c2ccccc2)cc1 ZINC000036293508 208152049 /nfs/dbraw/zinc/15/20/49/208152049.db2.gz QCKSEMGGVDYCPU-UHFFFAOYSA-N 0 0 365.458 5.376 40 5 FKBBRN O=[N+]([O-])c1cc(-c2nnc(-c3ccc(Cl)cc3Cl)o2)ccc1Cl ZINC000036646441 571259832 /nfs/dbraw/zinc/25/98/32/571259832.db2.gz VMBJBFGKJMAQKG-UHFFFAOYSA-N 0 0 370.579 5.272 40 5 FKBBRN Clc1ccccc1-c1cn(Cc2c3ccccc3cc3ccccc32)nn1 ZINC000044137518 205107660 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Cc1ccc(-c2nc(Cc3ccccc3)c3ccc4ccccc4c3n2)cc1 ZINC000057291939 571342465 /nfs/dbraw/zinc/34/24/65/571342465.db2.gz MWJWEFYSCMFCBG-UHFFFAOYSA-N 0 0 360.460 6.349 40 5 FKBBRN CCc1cccc(C)c1NC(=O)c1sc2c(cccc2[N+](=O)[O-])c1Cl ZINC000057313344 571342477 /nfs/dbraw/zinc/34/24/77/571342477.db2.gz RZKPTKMUJPVETL-UHFFFAOYSA-N 0 0 374.849 5.586 40 5 FKBBRN O=C(Nc1cccc(Cl)c1)c1sc2c(cccc2[N+](=O)[O-])c1Cl ZINC000057315737 571342578 /nfs/dbraw/zinc/34/25/78/571342578.db2.gz RKYHMHPLFMUWHA-UHFFFAOYSA-N 0 0 367.213 5.369 40 5 FKBBRN O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000057315784 571342583 /nfs/dbraw/zinc/34/25/83/571342583.db2.gz UVYXEERSPVJETG-DHZHZOJOSA-N 0 0 368.776 5.160 40 5 FKBBRN Cc1cc(C)c(NC(=O)c2sc3c(cccc3[N+](=O)[O-])c2Cl)c(C)c1 ZINC000057316084 571342585 /nfs/dbraw/zinc/34/25/85/571342585.db2.gz DSYOYKCEOHDTAZ-UHFFFAOYSA-N 0 0 374.849 5.640 40 5 FKBBRN Cc1cccc(NC(=O)c2sc3c(cccc3[N+](=O)[O-])c2Cl)c1C ZINC000057316143 568273839 /nfs/dbraw/zinc/27/38/39/568273839.db2.gz QSPMNWOJJWOWBW-UHFFFAOYSA-N 0 0 360.822 5.332 40 5 FKBBRN O=C(CCSc1ccc(Cl)cc1)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000059291568 221124813 /nfs/dbraw/zinc/12/48/13/221124813.db2.gz NNOWTXVAXRIDMS-UHFFFAOYSA-N 0 0 371.245 5.023 40 5 FKBBRN Cc1[nH]c2ccccc2c1CSc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000059417492 571357062 /nfs/dbraw/zinc/35/70/62/571357062.db2.gz MVWQATFTEXOCKM-UHFFFAOYSA-N 0 0 355.444 5.287 40 5 FKBBRN O=[N+]([O-])c1ccc2nc(NC3CCCCCCCCCCC3)sc2c1 ZINC000059461256 263419678 /nfs/dbraw/zinc/41/96/78/263419678.db2.gz GQKDUTDMHVAMIR-UHFFFAOYSA-N 0 0 361.511 6.290 40 5 FKBBRN O=Cc1c(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])ccc2ccccc12 ZINC000059462996 263419696 /nfs/dbraw/zinc/41/96/96/263419696.db2.gz DTKGDYPGFBLNRO-UHFFFAOYSA-N 0 0 361.275 5.372 40 5 FKBBRN CC(C)c1ccc(C(=O)Cc2cc3cc4ccccc4cc3oc2=O)cc1 ZINC000059474340 571090602 /nfs/dbraw/zinc/09/06/02/571090602.db2.gz QNFDACVFQOQZBH-UHFFFAOYSA-N 0 0 356.421 5.495 40 5 FKBBRN O=C(Cc1cc2cc3ccccc3cc2oc1=O)c1ccc2ccccc2c1 ZINC000059474345 263420544 /nfs/dbraw/zinc/42/05/44/263420544.db2.gz CDWOQUFQPRFAJO-UHFFFAOYSA-N 0 0 364.400 5.525 40 5 FKBBRN O=C(Cc1cc2cc3ccccc3cc2oc1=O)c1cccc2ccccc21 ZINC000059474350 571090640 /nfs/dbraw/zinc/09/06/40/571090640.db2.gz OUJNNZCIFBPCLG-UHFFFAOYSA-N 0 0 364.400 5.525 40 5 FKBBRN Cc1cc(C)c(OCCNc2ccc([N+](=O)[O-])cc2C(F)(F)F)c(C)c1 ZINC000059475461 571357327 /nfs/dbraw/zinc/35/73/27/571357327.db2.gz YXMSYWOXZIKFNF-UHFFFAOYSA-N 0 0 368.355 5.030 40 5 FKBBRN CCCc1ccc(OCCNc2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1 ZINC000059475466 263420548 /nfs/dbraw/zinc/42/05/48/263420548.db2.gz BMCWNWMLGWSNEX-UHFFFAOYSA-N 0 0 368.355 5.057 40 5 FKBBRN O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000059477505 571357359 /nfs/dbraw/zinc/35/73/59/571357359.db2.gz BQSPXPINQGTUGK-DHZHZOJOSA-N 0 0 368.776 5.160 40 5 FKBBRN O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000059477507 571357358 /nfs/dbraw/zinc/35/73/58/571357358.db2.gz LCOZOEULNYUSOL-DHZHZOJOSA-N 0 0 368.776 5.160 40 5 FKBBRN CCc1ccc2c(c1)CCCN2c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000059484677 571357412 /nfs/dbraw/zinc/35/74/12/571357412.db2.gz APCKXMLFOGCRFO-UHFFFAOYSA-N 0 0 350.340 5.260 40 5 FKBBRN O=[N+]([O-])c1ccc2nc(SCc3cc(Cl)ccc3Cl)sc2c1 ZINC000059488148 263420716 /nfs/dbraw/zinc/42/07/16/263420716.db2.gz MSLOBNQLPRMDAR-UHFFFAOYSA-N 0 0 371.270 5.804 40 5 FKBBRN O=[N+]([O-])c1ccc2nc(SCc3ccc(F)c4ccccc34)sc2c1 ZINC000059488323 571357397 /nfs/dbraw/zinc/35/73/97/571357397.db2.gz QUYKSMXYZBRPSR-UHFFFAOYSA-N 0 0 370.430 5.789 40 5 FKBBRN O=[N+]([O-])c1ccc(-c2cn(Cc3ccc(Cl)cc3)c(=S)s2)cc1 ZINC000066087692 203825408 /nfs/dbraw/zinc/82/54/08/203825408.db2.gz CIKHTRXBHYGSDB-UHFFFAOYSA-N 0 0 362.863 5.556 40 5 FKBBRN c1ccc2c(c1)cc1c3ccccc3c3cc4ccccc4c4ccc2c1c43 ZINC000070667148 205422382 /nfs/dbraw/zinc/42/23/82/205422382.db2.gz LMNAZSSKDBUVFA-UHFFFAOYSA-N 0 0 352.436 8.044 40 5 in-vitro FKBBRN CC(C)(C)n1cc2c(c1)c1cn(C(C)(C)C)cc1c1cn(C(C)(C)C)cc21 ZINC000071256554 571160377 /nfs/dbraw/zinc/16/03/77/571160377.db2.gz FJPKKVYNLMYRBT-UHFFFAOYSA-N 0 0 363.549 6.816 40 5 FKBBRN CCc1cc([N+](=O)[O-])cc(C)c1NC(=O)c1ccc(Cl)c(Cl)c1 ZINC000072228613 570535336 /nfs/dbraw/zinc/53/53/36/570535336.db2.gz BRQNMDLIZIQYFX-UHFFFAOYSA-N 0 0 353.205 5.025 40 5 FKBBRN CCc1cc([N+](=O)[O-])cc(C)c1NC(=O)c1cc(Cl)ccc1Cl ZINC000072228616 570535284 /nfs/dbraw/zinc/53/52/84/570535284.db2.gz CEHGVQHBTWWRLA-UHFFFAOYSA-N 0 0 353.205 5.025 40 5 FKBBRN CCc1cc([N+](=O)[O-])cc(C)c1NC(=O)c1ccc(Cl)cc1Cl ZINC000072228617 570535346 /nfs/dbraw/zinc/53/53/46/570535346.db2.gz ZTOOZSUKUSAMAJ-UHFFFAOYSA-N 0 0 353.205 5.025 40 5 FKBBRN CCc1cc([N+](=O)[O-])cc(C)c1NC(=O)c1ccc(-c2ccccc2)cc1 ZINC000072228640 221451999 /nfs/dbraw/zinc/45/19/99/221451999.db2.gz YPEXAJINBSRKKD-UHFFFAOYSA-N 0 0 360.413 5.385 40 5 FKBBRN CC(C)c1ccc(C(=O)Nc2cc(Cl)c([N+](=O)[O-])cc2Cl)cc1 ZINC000072229023 570535871 /nfs/dbraw/zinc/53/58/71/570535871.db2.gz ZIRVNVKLWZKARF-UHFFFAOYSA-N 0 0 353.205 5.277 40 5 FKBBRN O=C(Nc1cc(NC2CCCCC2)c([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000072229123 570535257 /nfs/dbraw/zinc/53/52/57/570535257.db2.gz NHFAPBYQTFGKBK-UHFFFAOYSA-N 0 0 373.840 5.245 40 5 FKBBRN O=C(Nc1cc(Cl)c([N+](=O)[O-])cc1Cl)c1cccc2ccccc21 ZINC000072229437 570535790 /nfs/dbraw/zinc/53/57/90/570535790.db2.gz LJKCTGGJCXZLNP-UHFFFAOYSA-N 0 0 361.184 5.307 40 5 FKBBRN Cc1ccc(C(=O)Nc2cc(Cl)c([N+](=O)[O-])cc2Cl)cc1Cl ZINC000072229444 205503493 /nfs/dbraw/zinc/50/34/93/205503493.db2.gz JTHUJDPVMGAHFE-UHFFFAOYSA-N 0 0 359.596 5.116 40 5 FKBBRN Cc1ccc(Oc2ccc3[nH]c([N+](=O)[O-])c4c3c2C(=O)c2ccccc2-4)cc1 ZINC000085408923 208964537 /nfs/dbraw/zinc/96/45/37/208964537.db2.gz AKUFVPLJEPOKKO-UHFFFAOYSA-N 0 0 370.364 5.388 40 5 FKBBRN O=[N+]([O-])c1cc(-c2nc(-c3cc(Cl)cc(Cl)c3)no2)ccc1Cl ZINC000089262433 571178552 /nfs/dbraw/zinc/17/85/52/571178552.db2.gz HLFKDSGHQMRBEF-UHFFFAOYSA-N 0 0 370.579 5.272 40 5 FKBBRN O=[N+]([O-])c1ccc(Cl)c(-c2nc(-c3cc(Cl)ccc3Cl)no2)c1 ZINC000089262463 571178316 /nfs/dbraw/zinc/17/83/16/571178316.db2.gz ZEFWRNKWNRGFRN-UHFFFAOYSA-N 0 0 370.579 5.272 40 5 FKBBRN O=[N+]([O-])c1ccc(Cl)c(-c2nc(-c3cc(Cl)cc(Cl)c3)no2)c1 ZINC000089262467 571178579 /nfs/dbraw/zinc/17/85/79/571178579.db2.gz JFLZSIBJWXYADE-UHFFFAOYSA-N 0 0 370.579 5.272 40 5 FKBBRN Brc1ccccc1-c1ccc2ccc3cccc4ccc1c2c34 ZINC000095496254 570461763 /nfs/dbraw/zinc/46/17/63/570461763.db2.gz SCDSEHPMMQSWNI-UHFFFAOYSA-N 0 0 357.250 7.014 40 5 FKBBRN c1cc2cc3ccc4ccc5ccc6cc7cccc8c(c1)c2c1c3c4c5c6c1c78 ZINC000095868163 570471300 /nfs/dbraw/zinc/47/13/00/570471300.db2.gz YVVKYYLDAVMMPF-UHFFFAOYSA-N 0 0 374.442 8.663 40 5 FKBBRN Cc1nc(Cl)c(Br)c(-c2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000096511241 222122841 /nfs/dbraw/zinc/12/28/41/222122841.db2.gz BKSJZAYROMNSIZ-UHFFFAOYSA-N 0 0 362.010 5.035 40 5 FKBBRN O=C(Nc1cccc(C(F)(F)F)c1)c1ccc2nc3ccccc3nc2c1 ZINC000096582908 571098170 /nfs/dbraw/zinc/09/81/70/571098170.db2.gz NLOVLEQKNBGMGV-UHFFFAOYSA-N 0 0 367.330 5.054 40 5 FKBBRN O=[N+]([O-])c1cc(NC(=S)c2ccc(C(F)(F)F)cc2)ccc1Cl ZINC000098178029 570486781 /nfs/dbraw/zinc/48/67/81/570486781.db2.gz YJGAJMDYGGYCBM-UHFFFAOYSA-N 0 0 360.744 5.055 40 5 FKBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)C1[C@@H]2CC/C=C/CC/C=C\CC[C@H]12 ZINC000100506138 222247216 /nfs/dbraw/zinc/24/72/16/222247216.db2.gz IFULABUKMOHPKA-HZKJCBRUSA-N 0 0 354.450 5.171 40 5 FKBBRN O=C(CNc1cccc(Cl)c1)c1cc2c(ccc3ccccc32)oc1=O ZINC000101174632 209221402 /nfs/dbraw/zinc/22/14/02/209221402.db2.gz LIYFSECTDCSYGV-UNOMPAQXSA-N 0 0 363.800 5.568 40 5 FKBBRN O=C(CNc1ccc(Cl)cc1)c1cc2c(ccc3ccccc32)oc1=O ZINC000101174639 222264691 /nfs/dbraw/zinc/26/46/91/222264691.db2.gz PDWKYGKUBQXFDP-UNOMPAQXSA-N 0 0 363.800 5.568 40 5 FKBBRN S=C(Nc1ccccc1)Nc1ccc2[nH]c3nc4ccccc4nc3c2c1 ZINC000103993542 571306839 /nfs/dbraw/zinc/30/68/39/571306839.db2.gz UFRREMVLJDICHO-UHFFFAOYSA-N 0 0 369.453 5.073 40 5 FKBBRN O=[N+]([O-])c1cccc(-c2cnc(-c3ccccc3)cc2-c2ccccc2O)c1 ZINC000104159288 570857083 /nfs/dbraw/zinc/85/70/83/570857083.db2.gz KKZKRYFKVLUEMI-UHFFFAOYSA-N 0 0 368.392 5.696 40 5 FKBBRN Cc1ccc(NC(=S)Nc2cc3cccnc3c3ncccc23)cc1C ZINC000104370020 571306829 /nfs/dbraw/zinc/30/68/29/571306829.db2.gz NAMZWZFTGBQJKG-UHFFFAOYSA-N 0 0 358.470 5.209 40 5 FKBBRN CC(C)(C)CC(C)(C)NC(=O)Nc1cc2ccncc2c2ncccc12 ZINC000104374195 571306768 /nfs/dbraw/zinc/30/67/68/571306768.db2.gz DZNHPIVYTWTHGV-UHFFFAOYSA-N 0 0 350.466 5.119 40 5 FKBBRN Cc1ccc(-c2ccc(C(=O)Nc3ccc([N+](=O)[O-])cc3C)o2)cc1C ZINC000107640064 571306807 /nfs/dbraw/zinc/30/68/07/571306807.db2.gz JAIUFUMBXYQBSA-UHFFFAOYSA-N 0 0 350.374 5.032 40 5 FKBBRN CC[C@@H](C)c1ccc(NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 ZINC000107711017 571306918 /nfs/dbraw/zinc/30/69/18/571306918.db2.gz JYVAWFNUYMPGBS-CQSZACIVSA-N 0 0 364.401 5.621 40 5 FKBBRN CC[C@H](C)c1ccc(NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 ZINC000107711020 571306952 /nfs/dbraw/zinc/30/69/52/571306952.db2.gz JYVAWFNUYMPGBS-AWEZNQCLSA-N 0 0 364.401 5.621 40 5 FKBBRN Cc1ccc(-c2ccc(C(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)o2)cc1C ZINC000107861916 571306879 /nfs/dbraw/zinc/30/68/79/571306879.db2.gz NVOCQAJSTHCLTO-UHFFFAOYSA-N 0 0 370.792 5.377 40 5 FKBBRN Cc1ccc(NC(=O)c2ccc(-c3ccc(C)c(C)c3)o2)c([N+](=O)[O-])c1 ZINC000107903669 570872162 /nfs/dbraw/zinc/87/21/62/570872162.db2.gz HIZCJWGWTWWFOY-UHFFFAOYSA-N 0 0 350.374 5.032 40 5 FKBBRN O=C(Nc1ccc(-c2ccccc2)cc1)c1coc2ccc([N+](=O)[O-])cc12 ZINC000142653344 571307286 /nfs/dbraw/zinc/30/72/86/571307286.db2.gz YJYXMOKZAINQBK-UHFFFAOYSA-N 0 0 358.353 5.260 40 5 FKBBRN O=C(Nc1ccc(C2CCCCC2)cc1)c1coc2ccc([N+](=O)[O-])cc12 ZINC000197670509 571291939 /nfs/dbraw/zinc/29/19/39/571291939.db2.gz BYHZJRVSLOCZRL-UHFFFAOYSA-N 0 0 364.401 5.641 40 5 FKBBRN Cc1ccnc(N(C(=O)OC(C)(C)C)c2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000199716140 571292335 /nfs/dbraw/zinc/29/23/35/571292335.db2.gz QPRWMFBMCHJOQY-UHFFFAOYSA-N 0 0 363.801 5.025 40 5 FKBBRN COc1c(Cl)cc(Cl)cc1-c1nc2cc([N+](=O)[O-])cc(C)c2o1 ZINC000216731258 210156402 /nfs/dbraw/zinc/15/64/02/210156402.db2.gz LBLLWJACRMQYSG-UHFFFAOYSA-N 0 0 353.161 5.027 40 5 FKBBRN O=C(Nc1cc([N+](=O)[O-])ccc1Cl)/C(=C/c1ccco1)c1ccccc1 ZINC000218101024 571352330 /nfs/dbraw/zinc/35/23/30/571352330.db2.gz JGCDWFIOVCCXOL-FOWTUZBSSA-N 0 0 368.776 5.021 40 5 FKBBRN O=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1cc2c(ccc3ccccc23)o1 ZINC000218495656 571354240 /nfs/dbraw/zinc/35/42/40/571354240.db2.gz FRYZCYKAOXQMIL-UHFFFAOYSA-N 0 0 366.760 5.400 40 5 FKBBRN O=[N+]([O-])c1ccc2c(c1)[C@@H]1[C@@H]3CC[C@@H](C3)[C@@H]1[C@@H](c1ccccc1Cl)N2 ZINC000222513768 206418091 /nfs/dbraw/zinc/41/80/91/206418091.db2.gz SBXZOCXAKCVXBN-NQJLJZTISA-N 0 0 354.837 5.545 40 5 FKBBRN O=[N+]([O-])c1ccc2c(c1)[C@H]1[C@@H]3CC[C@@H](C3)[C@@H]1[C@@H](c1ccccc1Cl)N2 ZINC000222513825 222739274 /nfs/dbraw/zinc/73/92/74/222739274.db2.gz SBXZOCXAKCVXBN-AFVSYHSFSA-N 0 0 354.837 5.545 40 5 FKBBRN CC[C@@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc2c(c1)CCCC2 ZINC000223013684 571045166 /nfs/dbraw/zinc/04/51/66/571045166.db2.gz JNULBRTVMCCMIF-GOSISDBHSA-N 0 0 372.852 5.008 40 5 FKBBRN CC[C@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc2c(c1)CCCC2 ZINC000223013744 571045137 /nfs/dbraw/zinc/04/51/37/571045137.db2.gz JNULBRTVMCCMIF-SFHVURJKSA-N 0 0 372.852 5.008 40 5 FKBBRN CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc2c(c1)CCCC2 ZINC000223020996 571045437 /nfs/dbraw/zinc/04/54/37/571045437.db2.gz PXUJMHWKWCFBQZ-LJQANCHMSA-N 0 0 372.852 5.008 40 5 FKBBRN CC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc2c(c1)CCCC2 ZINC000223021046 571045444 /nfs/dbraw/zinc/04/54/44/571045444.db2.gz PXUJMHWKWCFBQZ-IBGZPJMESA-N 0 0 372.852 5.008 40 5 FKBBRN CC[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccc2c(c1)CCCC2 ZINC000223021123 571045673 /nfs/dbraw/zinc/04/56/73/571045673.db2.gz JLSGXXYWALSXJR-LJQANCHMSA-N 0 0 372.852 5.008 40 5 FKBBRN CC[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccc2c(c1)CCCC2 ZINC000223021187 206430674 /nfs/dbraw/zinc/43/06/74/206430674.db2.gz JLSGXXYWALSXJR-IBGZPJMESA-N 0 0 372.852 5.008 40 5 FKBBRN O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc2c(c1)oc1ccccc12 ZINC000223376601 571116431 /nfs/dbraw/zinc/11/64/31/571116431.db2.gz IUUZTQLGTVXAIB-DHZHZOJOSA-N 0 0 358.353 5.146 40 5 FKBBRN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccc2c(c1)oc1ccccc12 ZINC000223377278 571116127 /nfs/dbraw/zinc/11/61/27/571116127.db2.gz USXUJSXWDZXGRD-KPKJPENVSA-N 0 0 358.353 5.146 40 5 FKBBRN CC(=O)c1ccc(NCCC(c2ccccc2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000225208151 571317938 /nfs/dbraw/zinc/31/79/38/571317938.db2.gz IURXCDIQKLDBRC-UHFFFAOYSA-N 0 0 374.440 5.432 40 5 FKBBRN CC(=O)c1ccc(Nc2ccccc2Sc2ccccc2)c([N+](=O)[O-])c1 ZINC000225208863 209804072 /nfs/dbraw/zinc/80/40/72/209804072.db2.gz AAJBOYVDRAAKCK-UHFFFAOYSA-N 0 0 364.426 5.692 40 5 FKBBRN O=C(CCc1ccc(Cl)c(Cl)c1)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000225334207 222834978 /nfs/dbraw/zinc/83/49/78/222834978.db2.gz AHKFZLRWSXFXON-UHFFFAOYSA-N 0 0 373.623 5.126 40 5 FKBBRN O=C(CCc1c(Cl)cccc1Cl)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000225358141 571320924 /nfs/dbraw/zinc/32/09/24/571320924.db2.gz GMAYMIWJEXFAJQ-UHFFFAOYSA-N 0 0 373.623 5.126 40 5 FKBBRN O=C(CCc1ccc(Cl)cc1Cl)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000225376197 571321116 /nfs/dbraw/zinc/32/11/16/571321116.db2.gz GYIVEYDVGOJAKC-UHFFFAOYSA-N 0 0 373.623 5.126 40 5 FKBBRN O=C(Nc1ccc(Oc2ccccc2)cc1)C1(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000225991220 571339116 /nfs/dbraw/zinc/33/91/16/571339116.db2.gz UFBMGLZWSCCUDW-UHFFFAOYSA-N 0 0 374.396 5.057 40 5 FKBBRN O=C(Nc1ccccc1Oc1ccccc1)C1(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000225991755 206507355 /nfs/dbraw/zinc/50/73/55/206507355.db2.gz PRZQBZHLCAWKQS-UHFFFAOYSA-N 0 0 374.396 5.057 40 5 FKBBRN O=[N+]([O-])c1ccc(COc2ccc(-c3nc4ccccc4s3)cc2)cc1 ZINC000226294759 210176788 /nfs/dbraw/zinc/17/67/88/210176788.db2.gz UKDYHCLFHDXRST-UHFFFAOYSA-N 0 0 362.410 5.451 40 5 FKBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)C1[C@@H]2CC/C=C/CC/C=C\CC[C@@H]12 ZINC000245377170 526082205 /nfs/dbraw/zinc/08/22/05/526082205.db2.gz IFULABUKMOHPKA-GNLFOESASA-N 0 0 354.450 5.171 40 5 FKBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)C1[C@H]2CC/C=C/CC/C=C\CC[C@H]12 ZINC000245377171 526082987 /nfs/dbraw/zinc/08/29/87/526082987.db2.gz IFULABUKMOHPKA-IIDJGBPPSA-N 0 0 354.450 5.171 40 5 FKBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1[C@@H]2CC/C=C\CC/C=C/CC[C@@H]21 ZINC000245377172 526083702 /nfs/dbraw/zinc/08/37/02/526083702.db2.gz IFULABUKMOHPKA-NMVHJFFOSA-N 0 0 354.450 5.171 40 5 FKBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1[C@@H]2CC/C=C/CC/C=C\CC[C@@H]21 ZINC000245377173 526082995 /nfs/dbraw/zinc/08/29/95/526082995.db2.gz IFULABUKMOHPKA-OGMFNLCPSA-N 0 0 354.450 5.171 40 5 FKBBRN O=[N+]([O-])c1cc(OCc2ccccc2)c(Cl)cc1OCc1ccccc1 ZINC000306145231 210059397 /nfs/dbraw/zinc/05/93/97/210059397.db2.gz RXLMXKYWJFUIQJ-UHFFFAOYSA-N 0 0 369.804 5.406 40 5 FKBBRN CC(C)(C)Nc1nc(Nc2ccc([N+](=O)[O-])cc2)cc(-c2ccccc2)n1 ZINC000329062763 571326646 /nfs/dbraw/zinc/32/66/46/571326646.db2.gz WYNOYMIKYDIRLC-UHFFFAOYSA-N 0 0 363.421 5.006 40 5 FKBBRN Cc1noc(/C=C\c2cccc(OCc3ccccc3Cl)c2)c1[N+](=O)[O-] ZINC000408541647 570943378 /nfs/dbraw/zinc/94/33/78/570943378.db2.gz DVTURLPOIPLNCM-KTKRTIGZSA-N 0 0 370.792 5.294 40 5 FKBBRN O=C(CSc1cccc2ccccc21)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000408541778 570943221 /nfs/dbraw/zinc/94/32/21/570943221.db2.gz DRZKLYIBRLBOED-UHFFFAOYSA-N 0 0 372.833 5.132 40 5 FKBBRN Cc1noc(/C=C\c2ccc(-c3ccccc3C(F)(F)F)o2)c1[N+](=O)[O-] ZINC000408542107 570567410 /nfs/dbraw/zinc/56/74/10/570567410.db2.gz HCQGMFYXAMZUSE-CLFYSBASSA-N 0 0 364.279 5.340 40 5 FKBBRN Cc1noc(/C=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)c1[N+](=O)[O-] ZINC000408542188 570943298 /nfs/dbraw/zinc/94/32/98/570943298.db2.gz HWVBIRANGQWIEX-DAXSKMNVSA-N 0 0 365.172 5.628 40 5 FKBBRN Cc1noc(/C=C\c2ccc(OCc3ccc(Cl)cc3)cc2)c1[N+](=O)[O-] ZINC000408542621 570943476 /nfs/dbraw/zinc/94/34/76/570943476.db2.gz KQTALKORRQISET-WDZFZDKYSA-N 0 0 370.792 5.294 40 5 FKBBRN Cc1noc(/C=C/c2ccc(Sc3ccc(C)cc3)cc2)c1[N+](=O)[O-] ZINC000408543514 570944188 /nfs/dbraw/zinc/94/41/88/570944188.db2.gz PPHOSSCVEKFTPO-KPKJPENVSA-N 0 0 352.415 5.521 40 5 FKBBRN Cc1noc(/C=C/c2cn(Cc3ccc(C)cc3)c3ccccc23)c1[N+](=O)[O-] ZINC000408543610 570944194 /nfs/dbraw/zinc/94/41/94/570944194.db2.gz PHELUQFTQLPDMT-VAWYXSNFSA-N 0 0 373.412 5.373 40 5 FKBBRN Cc1noc(/C=C/c2cn(Cc3ccccc3)c3ccccc23)c1[N+](=O)[O-] ZINC000408544794 570944218 /nfs/dbraw/zinc/94/42/18/570944218.db2.gz XWVHEMJGCLUHIS-VAWYXSNFSA-N 0 0 359.385 5.065 40 5 FKBBRN CCCCOc1ccc2ccccc2c1/C=C/c1onc(C)c1[N+](=O)[O-] ZINC000408544860 570944314 /nfs/dbraw/zinc/94/43/14/570944314.db2.gz VRJCUJKBUISYHF-ZRDIBKRKSA-N 0 0 352.390 5.394 40 5 FKBBRN Cc1noc(/C=C\c2ccccc2OCc2ccccc2Cl)c1[N+](=O)[O-] ZINC000408545513 570943808 /nfs/dbraw/zinc/94/38/08/570943808.db2.gz ZJWWCWOFPGNSCY-KHPPLWFESA-N 0 0 370.792 5.294 40 5 FKBBRN O=[N+]([O-])c1cccc(NCc2ccc(OCc3ccccc3)c(Cl)c2)c1 ZINC000408553635 570946853 /nfs/dbraw/zinc/94/68/53/570946853.db2.gz BCQTTWRWQBFBNR-UHFFFAOYSA-N 0 0 368.820 5.439 40 5 FKBBRN CCCOc1c(Cl)cc(CNc2cccc([N+](=O)[O-])c2)cc1OCC ZINC000408554780 570947161 /nfs/dbraw/zinc/94/71/61/570947161.db2.gz DHESKBXXNIDISU-UHFFFAOYSA-N 0 0 364.829 5.048 40 5 FKBBRN O=[N+]([O-])c1cccc(NCc2ccccc2OCc2ccc(Cl)cc2)c1 ZINC000408555748 570567959 /nfs/dbraw/zinc/56/79/59/570567959.db2.gz IFSOGQJWSWSNAS-UHFFFAOYSA-N 0 0 368.820 5.439 40 5 FKBBRN O=[N+]([O-])c1cccc(NCc2ccc(OCc3ccc(Cl)cc3)cc2)c1 ZINC000408556604 570947717 /nfs/dbraw/zinc/94/77/17/570947717.db2.gz KSWXGANYXAEMJW-UHFFFAOYSA-N 0 0 368.820 5.439 40 5 FKBBRN O=[N+]([O-])c1cccc(NCc2ccccc2OCc2ccccc2Cl)c1 ZINC000408557037 263470320 /nfs/dbraw/zinc/47/03/20/263470320.db2.gz LPNPKNVICAACCA-UHFFFAOYSA-N 0 0 368.820 5.439 40 5 FKBBRN O=[N+]([O-])c1cccc(NCc2cc(Cl)ccc2OCc2ccccc2)c1 ZINC000408557585 570567524 /nfs/dbraw/zinc/56/75/24/570567524.db2.gz OZHANQZGIVPBNN-UHFFFAOYSA-N 0 0 368.820 5.439 40 5 FKBBRN O=[N+]([O-])c1cccc(NCc2cccc(OCc3cccc(Cl)c3)c2)c1 ZINC000408557873 570553852 /nfs/dbraw/zinc/55/38/52/570553852.db2.gz PENATLFULBJPFV-UHFFFAOYSA-N 0 0 368.820 5.439 40 5 FKBBRN O=[N+]([O-])c1cccc(NCc2ccccc2OCc2cccc(Cl)c2)c1 ZINC000408558475 570567618 /nfs/dbraw/zinc/56/76/18/570567618.db2.gz RLBYWLPGCFPXFR-UHFFFAOYSA-N 0 0 368.820 5.439 40 5 FKBBRN O=[N+]([O-])c1cccc(NCc2ccc(OCc3ccccc3Cl)cc2)c1 ZINC000408558836 570947593 /nfs/dbraw/zinc/94/75/93/570947593.db2.gz SPJUVPMYYXXNFW-UHFFFAOYSA-N 0 0 368.820 5.439 40 5 FKBBRN O=[N+]([O-])c1cccc(NCc2ccc(OCc3cccc(Cl)c3)cc2)c1 ZINC000408558846 570948317 /nfs/dbraw/zinc/94/83/17/570948317.db2.gz SQSXXCBZSWMJNM-UHFFFAOYSA-N 0 0 368.820 5.439 40 5 FKBBRN O=[N+]([O-])c1cccc(NCc2cccc(OCc3ccc(Cl)cc3)c2)c1 ZINC000408559195 570948233 /nfs/dbraw/zinc/94/82/33/570948233.db2.gz XWHXMFNEBMYAMC-UHFFFAOYSA-N 0 0 368.820 5.439 40 5 FKBBRN O=[N+]([O-])c1cccc(NCc2cccc(OCc3ccccc3Cl)c2)c1 ZINC000408559762 263470669 /nfs/dbraw/zinc/47/06/69/263470669.db2.gz WHWMTWYLBRBSFX-UHFFFAOYSA-N 0 0 368.820 5.439 40 5 FKBBRN CCCOc1c(Cl)cc(CNc2cccc([N+](=O)[O-])c2)cc1Cl ZINC000408560444 570567416 /nfs/dbraw/zinc/56/74/16/570567416.db2.gz ZNTUFLRYSUVRLT-UHFFFAOYSA-N 0 0 355.221 5.303 40 5 FKBBRN O=[N+]([O-])C[C@H](c1c[nH]c2ccccc21)c1ccccc1OCc1ccccc1 ZINC000408567751 570949296 /nfs/dbraw/zinc/94/92/96/570949296.db2.gz HIOXTOAMCBMHEF-NRFANRHFSA-N 0 0 372.424 5.156 40 5 FKBBRN O=[N+]([O-])C[C@@H](c1c[nH]c2ccccc21)c1ccccc1OCc1ccccc1 ZINC000408567755 570949114 /nfs/dbraw/zinc/94/91/14/570949114.db2.gz HIOXTOAMCBMHEF-OAQYLSRUSA-N 0 0 372.424 5.156 40 5 FKBBRN O=[N+]([O-])C[C@@H](c1c[nH]c2ccccc21)c1ccc(OCc2ccccc2)cc1 ZINC000408572197 263473421 /nfs/dbraw/zinc/47/34/21/263473421.db2.gz QUIGWYVIOCQVHF-JOCHJYFZSA-N 0 0 372.424 5.156 40 5 FKBBRN O=[N+]([O-])C[C@H](c1c[nH]c2ccccc21)c1ccc(OCc2ccccc2)cc1 ZINC000408572198 570568957 /nfs/dbraw/zinc/56/89/57/570568957.db2.gz QUIGWYVIOCQVHF-QFIPXVFZSA-N 0 0 372.424 5.156 40 5 FKBBRN O=C1Nc2ccccc2/C1=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000408601513 570957403 /nfs/dbraw/zinc/95/74/03/570957403.db2.gz KJIOMLYUFKYOHG-GDNBJRDFSA-N 0 0 366.760 5.001 40 5 FKBBRN O=[N+]([O-])c1ccc(NCc2ccc(OCc3ccccc3Cl)cc2)cc1 ZINC000408603175 263480203 /nfs/dbraw/zinc/48/02/03/263480203.db2.gz BFAMNRDULLWYFC-UHFFFAOYSA-N 0 0 368.820 5.439 40 5 FKBBRN CCCOc1c(Cl)cc(CNc2ccc([N+](=O)[O-])cc2)cc1OCC ZINC000408603978 570957987 /nfs/dbraw/zinc/95/79/87/570957987.db2.gz CKIAOBGRASSWAH-UHFFFAOYSA-N 0 0 364.829 5.048 40 5 FKBBRN O=C1Nc2ccccc2/C1=C/c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 ZINC000408604549 570569888 /nfs/dbraw/zinc/56/98/88/570569888.db2.gz VHTBRKOHRDHTSD-UVTDQMKNSA-N 0 0 366.760 5.001 40 5 FKBBRN O=[N+]([O-])c1ccc(NCc2cccc(OCc3ccc(Cl)cc3)c2)cc1 ZINC000408605812 570569710 /nfs/dbraw/zinc/56/97/10/570569710.db2.gz GUAOYVJDTBOLIZ-UHFFFAOYSA-N 0 0 368.820 5.439 40 5 FKBBRN O=[N+]([O-])c1ccc(NCc2ccccc2OCc2ccc(Cl)cc2)cc1 ZINC000408607296 570958054 /nfs/dbraw/zinc/95/80/54/570958054.db2.gz KPYJHBIUZSSNTB-UHFFFAOYSA-N 0 0 368.820 5.439 40 5 FKBBRN O=[N+]([O-])c1ccc(NCc2ccccc2OCc2cccc(Cl)c2)cc1 ZINC000408607365 570570083 /nfs/dbraw/zinc/57/00/83/570570083.db2.gz LHRLAYSVFJPIHM-UHFFFAOYSA-N 0 0 368.820 5.439 40 5 FKBBRN O=[N+]([O-])c1ccc(NCc2ccc(OCc3ccc(Cl)cc3)cc2)cc1 ZINC000408608034 570957940 /nfs/dbraw/zinc/95/79/40/570957940.db2.gz MBXROTJGTLPPRE-UHFFFAOYSA-N 0 0 368.820 5.439 40 5 FKBBRN O=[N+]([O-])c1ccc(NCc2ccc(OCc3cccc(Cl)c3)cc2)cc1 ZINC000408609029 570570224 /nfs/dbraw/zinc/57/02/24/570570224.db2.gz NNUDQQFWNPPEHB-UHFFFAOYSA-N 0 0 368.820 5.439 40 5 FKBBRN O=[N+]([O-])c1ccc(NCc2ccc(OCc3ccccc3)c(Cl)c2)cc1 ZINC000408609110 570958287 /nfs/dbraw/zinc/95/82/87/570958287.db2.gz NZXYIIVKSQZIGT-UHFFFAOYSA-N 0 0 368.820 5.439 40 5 FKBBRN CCCOc1c(Cl)cc(CNc2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000408609758 570956469 /nfs/dbraw/zinc/95/64/69/570956469.db2.gz OQXFFRJQCHJVFA-UHFFFAOYSA-N 0 0 355.221 5.303 40 5 FKBBRN O=[N+]([O-])c1ccc(NCc2cccc(OCc3cccc(Cl)c3)c2)cc1 ZINC000408609861 570570422 /nfs/dbraw/zinc/57/04/22/570570422.db2.gz PEQJZIWJSGAHOC-UHFFFAOYSA-N 0 0 368.820 5.439 40 5 FKBBRN O=[N+]([O-])c1ccc(NCc2ccccc2OCc2ccccc2Cl)cc1 ZINC000408613192 570957589 /nfs/dbraw/zinc/95/75/89/570957589.db2.gz XWIAUEUHMASLTG-UHFFFAOYSA-N 0 0 368.820 5.439 40 5 FKBBRN O=[N+]([O-])c1ccc(NCc2cc(Cl)ccc2OCc2ccccc2)cc1 ZINC000408613573 570957325 /nfs/dbraw/zinc/95/73/25/570957325.db2.gz YERVAGSGTARYDW-UHFFFAOYSA-N 0 0 368.820 5.439 40 5 FKBBRN O=[N+]([O-])c1ccc(NCc2cccc(OCc3ccccc3Cl)c2)cc1 ZINC000408613580 570957573 /nfs/dbraw/zinc/95/75/73/570957573.db2.gz YKFMDPSBWHBREZ-UHFFFAOYSA-N 0 0 368.820 5.439 40 5 FKBBRN Cc1cccc(NC(=O)c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)c1C ZINC000408617008 263482281 /nfs/dbraw/zinc/48/22/81/263482281.db2.gz BATZEMMVGZHKJV-UHFFFAOYSA-N 0 0 370.792 5.377 40 5 FKBBRN Cc1c(NC(=O)c2ccc(-c3ccc(F)c(Cl)c3)o2)cccc1[N+](=O)[O-] ZINC000408617666 570959700 /nfs/dbraw/zinc/95/97/00/570959700.db2.gz DAYPCHVSSMPEHH-UHFFFAOYSA-N 0 0 374.755 5.208 40 5 FKBBRN CCc1ccc(NC(=O)c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)cc1 ZINC000408618902 570960217 /nfs/dbraw/zinc/96/02/17/570960217.db2.gz IARAHGNVBGVLBX-UHFFFAOYSA-N 0 0 370.792 5.323 40 5 FKBBRN Cc1ccccc1NC(=O)c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 ZINC000408619459 570960172 /nfs/dbraw/zinc/96/01/72/570960172.db2.gz ILZDWOQPXPYTJB-UHFFFAOYSA-N 0 0 356.765 5.069 40 5 FKBBRN Cc1ccc(NC(=O)c2ccc(-c3ccc(F)c(Cl)c3)o2)c([N+](=O)[O-])c1 ZINC000408619499 570960194 /nfs/dbraw/zinc/96/01/94/570960194.db2.gz IQVURHXVJLGHAU-UHFFFAOYSA-N 0 0 374.755 5.208 40 5 FKBBRN Cc1ccc(F)cc1NC(=O)c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 ZINC000408619503 570960189 /nfs/dbraw/zinc/96/01/89/570960189.db2.gz ITKHTWDQBUJUQW-UHFFFAOYSA-N 0 0 374.755 5.208 40 5 FKBBRN Cc1ccc(NC(=O)c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)c(C)c1 ZINC000408619512 570960011 /nfs/dbraw/zinc/96/00/11/570960011.db2.gz IUDSBZFLSBBPKE-UHFFFAOYSA-N 0 0 370.792 5.377 40 5 FKBBRN CCc1ccccc1NC(=O)c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 ZINC000408619588 570583186 /nfs/dbraw/zinc/58/31/86/570583186.db2.gz JPAHEKUIGATCKC-UHFFFAOYSA-N 0 0 370.792 5.323 40 5 FKBBRN Cc1ccc(C)c(NC(=O)c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)c1 ZINC000408620194 570570060 /nfs/dbraw/zinc/57/00/60/570570060.db2.gz KYJPEYFOEROOSQ-UHFFFAOYSA-N 0 0 370.792 5.377 40 5 FKBBRN Cc1cc(NC(=O)c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)ccc1F ZINC000408621092 570960390 /nfs/dbraw/zinc/96/03/90/570960390.db2.gz NPFHKZLTHIXMHE-UHFFFAOYSA-N 0 0 374.755 5.208 40 5 FKBBRN Cc1ccc(NC(=O)c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)cc1C ZINC000408623241 570958283 /nfs/dbraw/zinc/95/82/83/570958283.db2.gz RUWGEGKBMSHUCH-UHFFFAOYSA-N 0 0 370.792 5.377 40 5 FKBBRN Cc1cccc(C)c1NC(=O)c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 ZINC000408623337 570958430 /nfs/dbraw/zinc/95/84/30/570958430.db2.gz SMYBMRLHWJKXDE-UHFFFAOYSA-N 0 0 370.792 5.377 40 5 FKBBRN Cc1ccc(NC(=O)c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)cc1 ZINC000408624078 570958741 /nfs/dbraw/zinc/95/87/41/570958741.db2.gz UERHUSWAJDBIJF-UHFFFAOYSA-N 0 0 356.765 5.069 40 5 FKBBRN Cc1cccc(NC(=O)c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)c1 ZINC000408625786 570570777 /nfs/dbraw/zinc/57/07/77/570570777.db2.gz YDDXHTLNOOYBJH-UHFFFAOYSA-N 0 0 356.765 5.069 40 5 FKBBRN Cc1ccc(NC(=O)c2ccc(-c3ccc(F)c(Cl)c3)o2)cc1[N+](=O)[O-] ZINC000408625908 570958701 /nfs/dbraw/zinc/95/87/01/570958701.db2.gz YQKQSNRCIBMLAN-UHFFFAOYSA-N 0 0 374.755 5.208 40 5 FKBBRN Cc1cc(NC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)ccc1F ZINC000408626136 570570656 /nfs/dbraw/zinc/57/06/56/570570656.db2.gz ZFTXITOYBCHIJB-UHFFFAOYSA-N 0 0 374.755 5.208 40 5 FKBBRN O=C(Oc1ccc(Cl)cc1)c1ccc2nc3[nH]c4ccccc4c3nc2c1 ZINC000408721730 570675569 /nfs/dbraw/zinc/67/55/69/570675569.db2.gz LNYVIVRPGKNIME-UHFFFAOYSA-N 0 0 373.799 5.137 40 5 FKBBRN O=C(Nc1ccccc1Cl)c1ccc2nc3[nH]c4ccccc4c3nc2c1 ZINC000408722144 570971113 /nfs/dbraw/zinc/97/11/13/570971113.db2.gz PCNISSHRWJHIHH-UHFFFAOYSA-N 0 0 372.815 5.170 40 5 FKBBRN O=C(Nc1ccc(Cl)cc1)c1ccc2nc3[nH]c4ccccc4c3nc2c1 ZINC000408722725 570971854 /nfs/dbraw/zinc/97/18/54/570971854.db2.gz WNWNWHAPEKGENB-UHFFFAOYSA-N 0 0 372.815 5.170 40 5 FKBBRN O=c1c2ccccc2c2nc3ccccc3sc-2c1-c1ccc(Cl)cc1 ZINC000408733233 570973808 /nfs/dbraw/zinc/97/38/08/570973808.db2.gz GVLPSWGBLNAHEA-UHFFFAOYSA-N 0 0 373.864 6.235 40 5 FKBBRN Cc1cc(Cl)ccc1NC(=O)c1cc2c(ccc3ccccc32)oc1=O ZINC000408801885 570687809 /nfs/dbraw/zinc/68/78/09/570687809.db2.gz WKHIXRJDYZICAA-UHFFFAOYSA-N 0 0 363.800 5.160 40 5 FKBBRN Cc1c(Cl)cccc1NC(=O)c1cc2c(ccc3ccccc32)oc1=O ZINC000408812435 570688991 /nfs/dbraw/zinc/68/89/91/570688991.db2.gz SNDJFNFTFJJBAQ-UHFFFAOYSA-N 0 0 363.800 5.160 40 5 FKBBRN O=C1OC(Cc2ccccc2)=N/C1=C/c1c2ccccc2cc2ccccc21 ZINC000408848251 571018920 /nfs/dbraw/zinc/01/89/20/571018920.db2.gz VEAPQFQYSNUAJH-XQNSMLJCSA-N 0 0 363.416 5.532 40 5 FKBBRN Cc1cccc(C)c1NC(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000408905878 570696935 /nfs/dbraw/zinc/69/69/35/570696935.db2.gz AMPYZBNJNGPILB-RCCKNPSSSA-N 0 0 372.424 5.391 40 5 FKBBRN Cc1cccc(NC(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)c2ccccc2)c1 ZINC000408905925 571046947 /nfs/dbraw/zinc/04/69/47/571046947.db2.gz BCTOXAGFAVFUPV-RCCKNPSSSA-N 0 0 358.397 5.083 40 5 FKBBRN O=C(Nc1ccc(CSc2ccccc2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000408906159 263507084 /nfs/dbraw/zinc/50/70/84/263507084.db2.gz CRPUOVUSWBPGBU-UHFFFAOYSA-N 0 0 364.426 5.139 40 5 FKBBRN C[C@@H](NC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1)c1ccccc1 ZINC000408906332 570696937 /nfs/dbraw/zinc/69/69/37/570696937.db2.gz GJFCHOLKPOYXCD-FIOICXDGSA-N 0 0 372.424 5.013 40 5 FKBBRN Cc1ccc(NC(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1 ZINC000408906854 570696899 /nfs/dbraw/zinc/69/68/99/570696899.db2.gz JFVCWEQFZMBOGI-RCCKNPSSSA-N 0 0 358.397 5.083 40 5 FKBBRN Cc1ccccc1NC(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000408907748 571046939 /nfs/dbraw/zinc/04/69/39/571046939.db2.gz QNLWSWGZFHDBNK-HMMYKYKNSA-N 0 0 358.397 5.083 40 5 FKBBRN Cc1ccc(NC(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1C ZINC000408907768 570697546 /nfs/dbraw/zinc/69/75/46/570697546.db2.gz QZLHHMDKTNNETJ-PXLXIMEGSA-N 0 0 372.424 5.391 40 5 FKBBRN Cc1cc(C)cc(NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)c1 ZINC000408907780 571046945 /nfs/dbraw/zinc/04/69/45/571046945.db2.gz RNRLPQOBRADBCU-PXLXIMEGSA-N 0 0 372.424 5.391 40 5 FKBBRN C[C@H](NC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1)c1ccccc1 ZINC000408909069 571047321 /nfs/dbraw/zinc/04/73/21/571047321.db2.gz GJFCHOLKPOYXCD-JMMZKRSASA-N 0 0 372.424 5.013 40 5 FKBBRN C[C@@H](NC(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1)c1ccccc1 ZINC000408910341 571047711 /nfs/dbraw/zinc/04/77/11/571047711.db2.gz KDKQUWXAHANIJV-FIOICXDGSA-N 0 0 372.424 5.013 40 5 FKBBRN CCc1ccccc1NC(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000408921356 571051257 /nfs/dbraw/zinc/05/12/57/571051257.db2.gz GSOSQLQAINEDGG-LTGZKZEYSA-N 0 0 372.424 5.337 40 5 FKBBRN Cc1cc(C)cc(NC(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)c2ccccc2)c1 ZINC000408921602 571052425 /nfs/dbraw/zinc/05/24/25/571052425.db2.gz JLLIAWGMOJAAFT-PXLXIMEGSA-N 0 0 372.424 5.391 40 5 FKBBRN Cc1ccc(NC(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)c2ccccc2)c(C)c1 ZINC000408923634 571054285 /nfs/dbraw/zinc/05/42/85/571054285.db2.gz YVFZHKFLKXJPDN-RCCKNPSSSA-N 0 0 372.424 5.391 40 5 FKBBRN Cc1ccc(C)c(NC(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)c2ccccc2)c1 ZINC000408925324 570699483 /nfs/dbraw/zinc/69/94/83/570699483.db2.gz PBERDNKVCCBXJF-RCCKNPSSSA-N 0 0 372.424 5.391 40 5 FKBBRN Cc1cccc(C)c1NC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000408927330 571054650 /nfs/dbraw/zinc/05/46/50/571054650.db2.gz ZBEKJHZQJTXCLC-RCCKNPSSSA-N 0 0 372.424 5.391 40 5 FKBBRN O=C(Nc1ccc(Nc2ccccc2)cc1)c1coc2ccc([N+](=O)[O-])cc12 ZINC000408964007 570704136 /nfs/dbraw/zinc/70/41/36/570704136.db2.gz BCDLJTMVJXUHBE-UHFFFAOYSA-N 0 0 373.368 5.337 40 5 FKBBRN O=C(Nc1ccc2ccccc2c1)Nc1cc2cccnc2c2cccnc12 ZINC000408973348 570705462 /nfs/dbraw/zinc/70/54/62/570705462.db2.gz AOGQFAOQOJCBIV-UHFFFAOYSA-N 0 0 364.408 5.580 40 5 FKBBRN O=C(Nc1ccc2ccccc2c1)Nc1cc2ncccc2c2cccnc12 ZINC000408973803 571085377 /nfs/dbraw/zinc/08/53/77/571085377.db2.gz BURWMMUVBIUHLT-UHFFFAOYSA-N 0 0 364.408 5.580 40 5 FKBBRN Cc1ccc(NC(=S)Nc2cc3ccncc3c3ncccc23)cc1C ZINC000408973940 570705478 /nfs/dbraw/zinc/70/54/78/570705478.db2.gz CUABSIPGORMCCW-UHFFFAOYSA-N 0 0 358.470 5.209 40 5 FKBBRN O=C(Nc1cccc2ccccc21)Nc1cc2ncccc2c2cccnc12 ZINC000408974274 571085476 /nfs/dbraw/zinc/08/54/76/571085476.db2.gz DSLUMKODKZAOBP-UHFFFAOYSA-N 0 0 364.408 5.580 40 5 FKBBRN O=C(Nc1ccc2nc3[nH]c4ccccc4c3nc2c1)OCc1ccccc1 ZINC000408974305 570705465 /nfs/dbraw/zinc/70/54/65/570705465.db2.gz DWYJVAOOBJMGSV-UHFFFAOYSA-N 0 0 368.396 5.013 40 5 FKBBRN O=C(Nc1cccc2ccccc21)Nc1cc2cccnc2c2cccnc12 ZINC000408974617 571085431 /nfs/dbraw/zinc/08/54/31/571085431.db2.gz FODXHTSIMMLVEI-UHFFFAOYSA-N 0 0 364.408 5.580 40 5 FKBBRN CC(C)(C)CC(C)(C)NC(=O)Nc1cc2ncccc2c2cccnc12 ZINC000408974649 571085354 /nfs/dbraw/zinc/08/53/54/571085354.db2.gz GAQLDICOSIJSFK-UHFFFAOYSA-N 0 0 350.466 5.119 40 5 FKBBRN Cc1ccc(N(C)C(=S)Nc2cc3ncccc3c3cccnc23)cc1C ZINC000408974667 571085467 /nfs/dbraw/zinc/08/54/67/571085467.db2.gz GKJGEGOGEZPJQK-UHFFFAOYSA-N 0 0 372.497 5.233 40 5 FKBBRN O=C(Nc1ccccc1F)c1ccc2sc3nc4ccccc4nc3c2c1 ZINC000408974740 570705844 /nfs/dbraw/zinc/70/58/44/570705844.db2.gz CYVCTMKMCIVKHW-UHFFFAOYSA-N 0 0 373.412 5.389 40 5 FKBBRN O=C(c1ccc2sc3nc4ccccc4nc3c2c1)N1CCCCCC1 ZINC000408974755 263513359 /nfs/dbraw/zinc/51/33/59/263513359.db2.gz DKESNTKHRAASRF-UHFFFAOYSA-N 0 0 361.470 5.014 40 5 FKBBRN O=C(Nc1ccccc1)c1ccc2sc3nc4ccccc4nc3c2c1 ZINC000408974770 571085333 /nfs/dbraw/zinc/08/53/33/571085333.db2.gz DSXILEBRWDSRSL-UHFFFAOYSA-N 0 0 355.422 5.250 40 5 FKBBRN S=C(Nc1ccccc1Cl)Nc1cc2ncccc2c2cccnc12 ZINC000408974831 263513377 /nfs/dbraw/zinc/51/33/77/263513377.db2.gz HFRBKUMNIHKBLO-UHFFFAOYSA-N 0 0 364.861 5.245 40 5 FKBBRN S=C(Nc1ccccc1Cl)Nc1cc2cccnc2c2cccnc12 ZINC000408974868 570705914 /nfs/dbraw/zinc/70/59/14/570705914.db2.gz HTLNYUPROLAAES-UHFFFAOYSA-N 0 0 364.861 5.245 40 5 FKBBRN Cc1ccc(NC(=S)Nc2ccc3nc4ccccc4nc3c2)cc1C ZINC000408974937 570705848 /nfs/dbraw/zinc/70/58/48/570705848.db2.gz GEUQLWJSSIVSCH-UHFFFAOYSA-N 0 0 358.470 5.209 40 5 FKBBRN CC(C)(C)c1ccc(OC(=O)c2ccc3nc4ccccc4nc3c2)cc1 ZINC000408975086 263512932 /nfs/dbraw/zinc/51/29/32/263512932.db2.gz JWKIEASEIWQUHU-UHFFFAOYSA-N 0 0 356.425 5.300 40 5 FKBBRN CC(C)(C)CC(C)(C)NC(=O)c1ccc2[nH]c3nc4ccccc4nc3c2c1 ZINC000408975167 263513016 /nfs/dbraw/zinc/51/30/16/263513016.db2.gz IQMJSZBPGNNNGS-UHFFFAOYSA-N 0 0 374.488 5.209 40 5 FKBBRN Cc1ccc(NC(=S)Nc2cc3cccnc3c3cccnc23)cc1C ZINC000408975255 571085846 /nfs/dbraw/zinc/08/58/46/571085846.db2.gz LJKPWWMMTSYJRD-UHFFFAOYSA-N 0 0 358.470 5.209 40 5 FKBBRN Cc1ccc(N(C)C(=S)Nc2cc3ccncc3c3ncccc23)cc1C ZINC000408975302 263513096 /nfs/dbraw/zinc/51/30/96/263513096.db2.gz LYUGIGBNGHCKIH-UHFFFAOYSA-N 0 0 372.497 5.233 40 5 FKBBRN Cc1ccc(NC(=O)c2ccc3[nH]c4nc5ccccc5nc4c3c2)cc1C ZINC000408975451 570706178 /nfs/dbraw/zinc/70/61/78/570706178.db2.gz KLKJVPPGKKNDGD-UHFFFAOYSA-N 0 0 366.424 5.133 40 5 FKBBRN O=C(Oc1ccc2nc3[nH]c4ccccc4c3nc2c1)c1cccc(Cl)c1 ZINC000408975529 570706328 /nfs/dbraw/zinc/70/63/28/570706328.db2.gz MMTAKVOPQDBPLG-UHFFFAOYSA-N 0 0 373.799 5.137 40 5 FKBBRN O=C(Nc1ccc2ccccc2c1)Nc1cc2ccncc2c2ncccc12 ZINC000408975578 571085828 /nfs/dbraw/zinc/08/58/28/571085828.db2.gz NJCUBCBMTFWGHR-UHFFFAOYSA-N 0 0 364.408 5.580 40 5 FKBBRN O=C(Oc1ccc(Cl)cc1)c1ccc2[nH]c3nc4ccccc4nc3c2c1 ZINC000408975757 570706282 /nfs/dbraw/zinc/70/62/82/570706282.db2.gz MTYZYVIXEBJFGW-UHFFFAOYSA-N 0 0 373.799 5.137 40 5 FKBBRN O=C(Nc1cccc2ccccc21)Nc1cc2ccncc2c2ncccc12 ZINC000408975820 263512958 /nfs/dbraw/zinc/51/29/58/263512958.db2.gz NXTHQPGDLVFUSF-UHFFFAOYSA-N 0 0 364.408 5.580 40 5 FKBBRN CCCN(Cc1ccccc1)C(=O)Nc1cc2ncccc2c2cccnc12 ZINC000408975842 571086245 /nfs/dbraw/zinc/08/62/45/571086245.db2.gz OCLWBCSWSMKGHA-UHFFFAOYSA-N 0 0 370.456 5.227 40 5 FKBBRN CCCN(Cc1ccccc1)C(=O)Nc1cc2cccnc2c2cccnc12 ZINC000408975862 570706316 /nfs/dbraw/zinc/70/63/16/570706316.db2.gz OKZXBFCKHIVYDU-UHFFFAOYSA-N 0 0 370.456 5.227 40 5 FKBBRN Cc1ccc(N(C)C(=S)Nc2cc3cccnc3c3ncccc23)cc1C ZINC000408975958 263513146 /nfs/dbraw/zinc/51/31/46/263513146.db2.gz NYVDKJJCHOVWDJ-UHFFFAOYSA-N 0 0 372.497 5.233 40 5 FKBBRN O=C(Nc1ccccc1Cl)c1ccc2[nH]c3nc4ccccc4nc3c2c1 ZINC000408975969 570706351 /nfs/dbraw/zinc/70/63/51/570706351.db2.gz OBLIWUQVVRMREU-UHFFFAOYSA-N 0 0 372.815 5.170 40 5 FKBBRN O=C(Nc1ccc(F)cc1)c1ccc2sc3nc4ccccc4nc3c2c1 ZINC000408976115 570706210 /nfs/dbraw/zinc/70/62/10/570706210.db2.gz PMZSDCDXSKCFBN-UHFFFAOYSA-N 0 0 373.412 5.389 40 5 FKBBRN Cc1ccc(N(C)C(=O)Nc2cc3ccncc3c3ncccc23)cc1C ZINC000408976160 570706156 /nfs/dbraw/zinc/70/61/56/570706156.db2.gz PUWUPXROZSVWSE-UHFFFAOYSA-N 0 0 356.429 5.068 40 5 FKBBRN CC(C)N(C(=O)c1ccc2sc3nc4ccccc4nc3c2c1)C(C)C ZINC000408976522 571089739 /nfs/dbraw/zinc/08/97/39/571089739.db2.gz RVXNOWVXIHTTNQ-UHFFFAOYSA-N 0 0 363.486 5.257 40 5 FKBBRN Cc1ccc(NC(=O)c2ccc3sc4nc5ccccc5nc4c3c2)cc1 ZINC000408976704 570706548 /nfs/dbraw/zinc/70/65/48/570706548.db2.gz SKMXCOMXAPZHBG-UHFFFAOYSA-N 0 0 369.449 5.558 40 5 FKBBRN Cc1ccc(OC(=O)c2ccc3sc4nc5ccccc5nc4c3c2)cc1 ZINC000408976717 570706672 /nfs/dbraw/zinc/70/66/72/570706672.db2.gz SLNSCPCOFYISMD-UHFFFAOYSA-N 0 0 370.433 5.525 40 5 FKBBRN CC(C)(C)CC(C)(C)NC(=S)Nc1cc2cccnc2c2ncccc12 ZINC000408976817 570706545 /nfs/dbraw/zinc/70/65/45/570706545.db2.gz UCZLKYDYUFYKLH-UHFFFAOYSA-N 0 0 366.534 5.284 40 5 FKBBRN O=C(NC1CCCCC1)c1ccc2sc3nc4ccccc4nc3c2c1 ZINC000408976864 571089723 /nfs/dbraw/zinc/08/97/23/571089723.db2.gz UHXVABPMUFRIQE-UHFFFAOYSA-N 0 0 361.470 5.060 40 5 FKBBRN S=C(Nc1ccccc1Cl)Nc1cc2ccncc2c2ncccc12 ZINC000408976972 570706684 /nfs/dbraw/zinc/70/66/84/570706684.db2.gz UCRMUFXATMIZOK-UHFFFAOYSA-N 0 0 364.861 5.245 40 5 FKBBRN Cc1ccc(NC(=S)Nc2cc3ncccc3c3cccnc23)cc1C ZINC000408977114 571089666 /nfs/dbraw/zinc/08/96/66/571089666.db2.gz UFOWUSROECBLBO-UHFFFAOYSA-N 0 0 358.470 5.209 40 5 FKBBRN CN(C(=O)c1ccc2nc3ccccc3nc2c1)c1ccc2ccccc2c1 ZINC000408977200 570706691 /nfs/dbraw/zinc/70/66/91/570706691.db2.gz UVIOWDMNESMALR-UHFFFAOYSA-N 0 0 363.420 5.213 40 5 FKBBRN Cc1ccc(N(C)C(=O)Nc2cc3cccnc3c3cccnc23)cc1C ZINC000408977247 571089825 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364.451 6.023 40 5 FKBBRN COc1cccc(NC(=S)Nc2ccc3cc4ccccc4nc3c2)c1 ZINC000409190762 263538735 /nfs/dbraw/zinc/53/87/35/263538735.db2.gz WAKFHZYESCSELP-UHFFFAOYSA-N 0 0 359.454 5.206 40 5 FKBBRN CN(C)c1ccc(NC(=S)Nc2ccc3cc4ccccc4nc3c2)cc1 ZINC000409190842 571216914 /nfs/dbraw/zinc/21/69/14/571216914.db2.gz WTQMYKPGIXPPDW-UHFFFAOYSA-N 0 0 372.497 5.263 40 5 FKBBRN O=[N+]([O-])c1ccc2c(c1)[C@@H]1OCC[C@@H]1[C@H](c1ccc(Cl)cc1Cl)N2 ZINC000409191018 570737606 /nfs/dbraw/zinc/73/76/06/570737606.db2.gz YOCKJKGLZXCQBG-OAUYIBNBSA-N 0 0 365.216 5.146 40 5 FKBBRN O=[N+]([O-])c1ccc(-c2ccc(-c3nc4ccccc4s3)o2)c(Cl)c1 ZINC000409191132 570737589 /nfs/dbraw/zinc/73/75/89/570737589.db2.gz SXWDNORWCQVHET-UHFFFAOYSA-N 0 0 356.790 5.785 40 5 FKBBRN O=[N+]([O-])c1cc(-c2ccc(-c3nc4ccccc4s3)o2)ccc1Cl ZINC000409191605 570738090 /nfs/dbraw/zinc/73/80/90/570738090.db2.gz JAKZYYNOWUJHSA-UHFFFAOYSA-N 0 0 356.790 5.785 40 5 FKBBRN Cc1cc(-c2ccc(-c3nc4ccccc4s3)o2)cc([N+](=O)[O-])c1C ZINC000409192077 570583740 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O=[N+]([O-])c1ccc(Sc2ccccc2)c(-c2nc3ccccc3s2)c1 ZINC000409196387 570739030 /nfs/dbraw/zinc/73/90/30/570739030.db2.gz ZVRWYLFOHFXYNL-UHFFFAOYSA-N 0 0 364.451 6.023 40 5 FKBBRN S=C(Nc1ccccc1Cl)Nc1cc2cccnc2c2ncccc12 ZINC000409319484 570750015 /nfs/dbraw/zinc/75/00/15/570750015.db2.gz GZYKGMOFRNJTGG-UHFFFAOYSA-N 0 0 364.861 5.245 40 5 FKBBRN CCOc1cc(Oc2cc(C(F)(F)F)ccc2Cl)ccc1[N+](=O)[O-] ZINC000521219277 571107624 /nfs/dbraw/zinc/10/76/24/571107624.db2.gz FOVQBHZSDNJRFM-UHFFFAOYSA-N 0 0 361.703 5.458 40 5 FKBBRN