smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCC[C@H](C)[C@H](CC)Oc1cc(O)cc(O)c1[N+](=O)[O-] ZINC001228972913 1131990166 /nfs/dbraw/zinc/99/01/66/1131990166.db2.gz FJWSVJBQKZRJGM-CABZTGNLSA-N 0 2 283.324 3.600 20 5 CHBDLN CCC1(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)CCCCC1 ZINC000483437225 1126788067 /nfs/dbraw/zinc/78/80/67/1126788067.db2.gz HQQBZDLAMBKCBA-UHFFFAOYSA-N 0 2 292.335 3.599 20 5 CHBDLN C[C@H]1CCC[C@H](C)C1Oc1cccc(O)c1[N+](=O)[O-] ZINC001225619783 1122039575 /nfs/dbraw/zinc/03/95/75/1122039575.db2.gz IRXVIBHMOOKPET-UWVGGRQHSA-N 0 2 265.309 3.504 20 5 CHBDLN CC/C=C(\C)[C@H](CC)Oc1cc(O)cc(O)c1[N+](=O)[O-] ZINC001228973169 1131989202 /nfs/dbraw/zinc/98/92/02/1131989202.db2.gz HEYTWGNEMKFTCU-LZGFCCKTSA-N 0 2 281.308 3.520 20 5 CHBDLN CCC[C@H](C)[C@H](Oc1cc(O)cc(O)c1[N+](=O)[O-])C(C)C ZINC001228975276 1131990063 /nfs/dbraw/zinc/99/00/63/1131990063.db2.gz YYTMSFBQNSJNON-ZUZCIYMTSA-N 0 2 297.351 3.846 20 5 CHBDLN CC[C@H](C)CONc1ncc([N+](=O)[O-])c2ccccc21 ZINC001163398549 1133148116 /nfs/dbraw/zinc/14/81/16/1133148116.db2.gz XCBCRJCHNUJDMU-JTQLQIEISA-N 0 2 275.308 3.533 20 5 CHBDLN CC[C@H](C)CON=c1[nH]cc([N+](=O)[O-])c2ccccc21 ZINC001163398549 1133148119 /nfs/dbraw/zinc/14/81/19/1133148119.db2.gz XCBCRJCHNUJDMU-JTQLQIEISA-N 0 2 275.308 3.533 20 5 CHBDLN O=[N+]([O-])c1c(O)cccc1O[C@H](c1ccccc1)C1CC1 ZINC001225624167 1135599144 /nfs/dbraw/zinc/59/91/44/1135599144.db2.gz VNZYVDFURDBWJX-MRXNPFEDSA-N 0 2 285.299 3.831 20 5 CHBDLN Cc1ccc([C@@H](C)Oc2cccc(O)c2[N+](=O)[O-])cc1 ZINC001225619505 1122041239 /nfs/dbraw/zinc/04/12/39/1122041239.db2.gz BOHUSBMDHWQQIJ-LLVKDONJSA-N 0 2 273.288 3.749 20 5 CHBDLN CCCCC[C@@H](CC)C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC001138013835 1131451052 /nfs/dbraw/zinc/45/10/52/1131451052.db2.gz WOPKJVWSFXTCQV-LLVKDONJSA-N 0 2 294.351 3.845 20 5 CHBDLN CCCCCC[C@H](C)Oc1cc(O)cc(O)c1[N+](=O)[O-] ZINC001228972503 1131989389 /nfs/dbraw/zinc/98/93/89/1131989389.db2.gz WZJSODCUOAHNDF-JTQLQIEISA-N 0 2 283.324 3.744 20 5 CHBDLN CC(C)CCCCCC(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC001153456264 1132593975 /nfs/dbraw/zinc/59/39/75/1132593975.db2.gz VWDACCYYWJUVOP-UHFFFAOYSA-N 0 2 294.351 3.845 20 5 CHBDLN O=[N+]([O-])c1ccccc1Nc1cc(-c2ccccc2)no1 ZINC001206140555 1133663139 /nfs/dbraw/zinc/66/31/39/1133663139.db2.gz XGGPXWXLHBGAAL-UHFFFAOYSA-N 0 2 281.271 3.993 20 5 CHBDLN C[C@@H](Oc1cccc(O)c1[N+](=O)[O-])c1cccc(F)c1 ZINC001225620814 1135598025 /nfs/dbraw/zinc/59/80/25/1135598025.db2.gz VYBQYTWPFCZGIK-SECBINFHSA-N 0 2 277.251 3.580 20 5 CHBDLN CC[C@@H](Oc1cccc(O)c1[N+](=O)[O-])C(C)(C)C ZINC001225619714 1135598062 /nfs/dbraw/zinc/59/80/62/1135598062.db2.gz HLPNKDQEUVELLQ-LLVKDONJSA-N 0 2 253.298 3.504 20 5 CHBDLN C/C=C\c1ccc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])cc1 ZINC000360318097 1127495695 /nfs/dbraw/zinc/49/56/95/1127495695.db2.gz LXJUOCJIYZAATH-IHWYPQMZSA-N 0 2 298.298 3.586 20 5 CHBDLN CCC[C@H](Oc1cccc(O)c1[N+](=O)[O-])C(C)(C)C ZINC001225619745 1122039454 /nfs/dbraw/zinc/03/94/54/1122039454.db2.gz IEZMUCNOCSIECX-LBPRGKRZSA-N 0 2 267.325 3.894 20 5 CHBDLN C[C@H]1C[C@@H](Oc2cc(O)cc(O)c2[N+](=O)[O-])CC(C)(C)C1 ZINC001228972193 1131989192 /nfs/dbraw/zinc/98/91/92/1131989192.db2.gz UHNQWOYWIYWZRG-GXSJLCMTSA-N 0 2 295.335 3.600 20 5 CHBDLN CC[C@@H](Oc1cc(O)cc(O)c1[N+](=O)[O-])C1CCCCC1 ZINC001228974069 1131989311 /nfs/dbraw/zinc/98/93/11/1131989311.db2.gz OMEILGBGTCWTEA-CYBMUJFWSA-N 0 2 295.335 3.744 20 5 CHBDLN CCCC/C=C/[C@@H](C)Oc1cccc(O)c1[N+](=O)[O-] ZINC001225619439 1135597490 /nfs/dbraw/zinc/59/74/90/1135597490.db2.gz AFFWMTZVPTUXFP-LXSSAFMLSA-N 0 2 265.309 3.814 20 5 CHBDLN CC(C)CC[C@H](C)Oc1cccc(O)c1[N+](=O)[O-] ZINC001225619635 1135598139 /nfs/dbraw/zinc/59/81/39/1135598139.db2.gz FZEVPPYFWDFFPH-JTQLQIEISA-N 0 2 253.298 3.504 20 5 CHBDLN CCC[C@H](Oc1cccc(O)c1[N+](=O)[O-])[C@@H](C)CC ZINC001225619575 1135598363 /nfs/dbraw/zinc/59/83/63/1135598363.db2.gz CSDCALREBHXJNI-JQWIXIFHSA-N 0 2 267.325 3.894 20 5 CHBDLN CCn1c2cc(C)ccc2nc1-c1ccc(O)c([N+](=O)[O-])c1 ZINC000436932393 262992814 /nfs/dbraw/zinc/99/28/14/262992814.db2.gz NQPQOKQPBHKVSG-UHFFFAOYSA-N 0 2 297.314 3.645 20 5 CHBDLN O=[N+]([O-])c1ccc(-c2nc3cc(F)ccc3s2)cc1O ZINC000498547515 332020978 /nfs/dbraw/zinc/02/09/78/332020978.db2.gz GODJLLAQINURTM-UHFFFAOYSA-N 0 2 290.275 3.716 20 5 CHBDLN CC1(C)CCC[C@@H](Oc2cccc(O)c2[N+](=O)[O-])C1 ZINC001225619930 1135598309 /nfs/dbraw/zinc/59/83/09/1135598309.db2.gz KRJSBUDZXHPKFU-SNVBAGLBSA-N 0 2 265.309 3.648 20 5 CHBDLN CC(C)=CCC[C@@H](C)Oc1cccc(O)c1[N+](=O)[O-] ZINC001225620408 1135598429 /nfs/dbraw/zinc/59/84/29/1135598429.db2.gz QQTQFTDXXWSUCF-LLVKDONJSA-N 0 2 265.309 3.814 20 5 CHBDLN CCCCCC(C)(C)C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC001138013783 1131451156 /nfs/dbraw/zinc/45/11/56/1131451156.db2.gz VYTZZZBWVQCGMT-UHFFFAOYSA-N 0 2 294.351 3.845 20 5 CHBDLN CC[C@H](Oc1cc(O)cc(O)c1[N+](=O)[O-])C1CCCCC1 ZINC001228974070 1131989784 /nfs/dbraw/zinc/98/97/84/1131989784.db2.gz OMEILGBGTCWTEA-ZDUSSCGKSA-N 0 2 295.335 3.744 20 5 CHBDLN CCC[C@@H](C)[C@H](Oc1cc(O)cc(O)c1[N+](=O)[O-])C(C)C ZINC001228975275 1131989830 /nfs/dbraw/zinc/98/98/30/1131989830.db2.gz YYTMSFBQNSJNON-MEBBXXQBSA-N 0 2 297.351 3.846 20 5 CHBDLN CCC[C@@H](C)[C@@H](CC)Oc1cc(O)cc(O)c1[N+](=O)[O-] ZINC001228972911 1131989849 /nfs/dbraw/zinc/98/98/49/1131989849.db2.gz FJWSVJBQKZRJGM-BXKDBHETSA-N 0 2 283.324 3.600 20 5 CHBDLN CC[C@@H](Oc1cccc(O)c1[N+](=O)[O-])c1ccccc1F ZINC001225620975 1135598438 /nfs/dbraw/zinc/59/84/38/1135598438.db2.gz YSXZJAFHJIYEGZ-CYBMUJFWSA-N 0 2 291.278 3.970 20 5 CHBDLN Cc1cccc2c1CC[C@@H]2Oc1cccc(O)c1[N+](=O)[O-] ZINC001225623833 1135599129 /nfs/dbraw/zinc/59/91/29/1135599129.db2.gz UCDHIIABBIYMGD-AWEZNQCLSA-N 0 2 285.299 3.675 20 5 CHBDLN CC(C)(C)CCCCC(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000557613174 327016162 /nfs/dbraw/zinc/01/61/62/327016162.db2.gz JJKYTQMWLPXSSK-UHFFFAOYSA-N 0 2 294.351 3.845 20 5 CHBDLN C/C=C\c1ccc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)cc1 ZINC000561648693 327407749 /nfs/dbraw/zinc/40/77/49/327407749.db2.gz YZQSZXLFRLBOCV-IHWYPQMZSA-N 0 2 298.298 3.586 20 5 CHBDLN C[C@H](CCc1ccccc1)Oc1cccc(O)c1[N+](=O)[O-] ZINC001225620385 1135597804 /nfs/dbraw/zinc/59/78/04/1135597804.db2.gz PJMJJCRSEBRKKE-GFCCVEGCSA-N 0 2 287.315 3.701 20 5 CHBDLN CCC[C@@H]1CCCC[C@@H]1Oc1cc(O)cc(O)c1[N+](=O)[O-] ZINC001228975027 1131990044 /nfs/dbraw/zinc/99/00/44/1131990044.db2.gz XJBYKJDIRNWJJV-MFKMUULPSA-N 0 2 295.335 3.744 20 5 CHBDLN O=[N+]([O-])c1ccccc1Nc1cc(-c2ccccc2O)no1 ZINC001206150409 1132113388 /nfs/dbraw/zinc/11/33/88/1132113388.db2.gz SFAASUBYRXBOAS-UHFFFAOYSA-N 0 2 297.270 3.699 20 5 CHBDLN CCCC[C@@H](CC)Oc1cccc(O)c1[N+](=O)[O-] ZINC001225620685 1135597867 /nfs/dbraw/zinc/59/78/67/1135597867.db2.gz SGWJVFFTXWXFKL-SNVBAGLBSA-N 0 2 253.298 3.648 20 5 CHBDLN CC[C@@H](C)C[C@@H](CC)Oc1cccc(O)c1[N+](=O)[O-] ZINC001225619648 1135598328 /nfs/dbraw/zinc/59/83/28/1135598328.db2.gz GNWAKEGQERLGNL-GHMZBOCLSA-N 0 2 267.325 3.894 20 5 CHBDLN CC[C@@H](C)C[C@H](CC)Oc1cccc(O)c1[N+](=O)[O-] ZINC001225619649 1135598357 /nfs/dbraw/zinc/59/83/57/1135598357.db2.gz GNWAKEGQERLGNL-MNOVXSKESA-N 0 2 267.325 3.894 20 5 CHBDLN CCC1CCC(Oc2cccc(O)c2[N+](=O)[O-])CC1 ZINC001225620882 1135598540 /nfs/dbraw/zinc/59/85/40/1135598540.db2.gz XNKNCWDFOLUTJM-UHFFFAOYSA-N 0 2 265.309 3.648 20 5 CHBDLN CCC1(C(=O)Nc2cc([N+](=O)[O-])ccc2O)CCCCC1 ZINC000461455566 331313460 /nfs/dbraw/zinc/31/34/60/331313460.db2.gz LLQWYKKYOYVIJL-UHFFFAOYSA-N 0 2 292.335 3.599 20 5 CHBDLN CC1(C(=O)Nc2cc([N+](=O)[O-])ccc2O)CCCCCC1 ZINC000512012935 332950597 /nfs/dbraw/zinc/95/05/97/332950597.db2.gz XJFJZTQJCRPGQE-UHFFFAOYSA-N 0 2 292.335 3.599 20 5 CHBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)C1CCCCCCC1 ZINC000221010186 1123565203 /nfs/dbraw/zinc/56/52/03/1123565203.db2.gz OZOWFBBYEASSRR-UHFFFAOYSA-N 0 2 292.335 3.599 20 5 CHBDLN Cc1sc(/C=C\c2cc(O)ccc2[N+](=O)[O-])cc1C=O ZINC000772802486 1130460601 /nfs/dbraw/zinc/46/06/01/1130460601.db2.gz QHHHNBYNWXKOIS-RQOWECAXSA-N 0 2 289.312 3.653 20 5 CHBDLN CCC(=O)c1cccc(Nc2ccc(O)c([N+](=O)[O-])c2)c1 ZINC001210399421 1134209307 /nfs/dbraw/zinc/20/93/07/1134209307.db2.gz SCQSDMNFHDATPQ-UHFFFAOYSA-N 0 2 286.287 3.637 20 5 CHBDLN C[C@H](Oc1cccc(O)c1[N+](=O)[O-])c1ccccc1F ZINC001225622684 1135597820 /nfs/dbraw/zinc/59/78/20/1135597820.db2.gz IXWDEFSWLIOXES-VIFPVBQESA-N 0 2 277.251 3.580 20 5 CHBDLN CCCCC[C@@H](C)Oc1cccc(O)c1[N+](=O)[O-] ZINC001225620738 1135597916 /nfs/dbraw/zinc/59/79/16/1135597916.db2.gz UBEUIYDLXUDADV-SNVBAGLBSA-N 0 2 253.298 3.648 20 5 CHBDLN Cc1cccc2c1[C@H](Oc1cccc(O)c1[N+](=O)[O-])CC2 ZINC001225624181 1135599107 /nfs/dbraw/zinc/59/91/07/1135599107.db2.gz VQMNSACLWOCXEL-CYBMUJFWSA-N 0 2 285.299 3.675 20 5 CHBDLN O=[N+]([O-])c1ccc(/C=C\c2nc3ccccc3o2)cc1O ZINC000254969987 1120304872 /nfs/dbraw/zinc/30/48/72/1120304872.db2.gz DDQPWQXTJBYMCG-VURMDHGXSA-N 0 2 282.255 3.612 20 5 CHBDLN CC(C)(C)c1nsc(Nc2cc([N+](=O)[O-])ccc2F)n1 ZINC001175734330 1121441342 /nfs/dbraw/zinc/44/13/42/1121441342.db2.gz FNBPIMDRUXPCRT-UHFFFAOYSA-N 0 2 296.327 3.627 20 5 CHBDLN CCC[C@H]1CCCC[C@H]1Oc1cc(O)cc(O)c1[N+](=O)[O-] ZINC001228975026 1131989326 /nfs/dbraw/zinc/98/93/26/1131989326.db2.gz XJBYKJDIRNWJJV-GXFFZTMASA-N 0 2 295.335 3.744 20 5 CHBDLN CCC[C@@H](C)[C@@H](Oc1cc(O)cc(O)c1[N+](=O)[O-])C(C)C ZINC001228975273 1131989803 /nfs/dbraw/zinc/98/98/03/1131989803.db2.gz YYTMSFBQNSJNON-BMIGLBTASA-N 0 2 297.351 3.846 20 5 CHBDLN CCC[C@@H](C)[C@H](CC)Oc1cc(O)cc(O)c1[N+](=O)[O-] ZINC001228972916 1131990093 /nfs/dbraw/zinc/99/00/93/1131990093.db2.gz FJWSVJBQKZRJGM-SKDRFNHKSA-N 0 2 283.324 3.600 20 5 CHBDLN C[C@H](Oc1cccc(O)c1[N+](=O)[O-])c1ccc(F)cc1 ZINC001225620783 1135598055 /nfs/dbraw/zinc/59/80/55/1135598055.db2.gz VCSJQKDQROWYBS-VIFPVBQESA-N 0 2 277.251 3.580 20 5 CHBDLN O=[N+]([O-])c1c(O)cccc1O[C@@H]1CCc2cc(F)ccc21 ZINC001225626481 1135598953 /nfs/dbraw/zinc/59/89/53/1135598953.db2.gz RXAUJFHETGHSGF-CYBMUJFWSA-N 0 2 289.262 3.506 20 5 CHBDLN CCC[C@H](C)[C@H](CC)Oc1cccc(O)c1[N+](=O)[O-] ZINC001225626850 1135599224 /nfs/dbraw/zinc/59/92/24/1135599224.db2.gz WSSBSHSOGFDUAF-JQWIXIFHSA-N 0 2 267.325 3.894 20 5 CHBDLN CC(C)n1c2ccccc2nc1-c1ccc([N+](=O)[O-])c(O)c1 ZINC000523655276 333335107 /nfs/dbraw/zinc/33/51/07/333335107.db2.gz SVSKRWRDLSSHIU-UHFFFAOYSA-N 0 2 297.314 3.898 20 5 CHBDLN C[C@@H](CC(=O)Nc1ccc(O)c([N+](=O)[O-])c1)CC(C)(C)C ZINC000614271673 1121590555 /nfs/dbraw/zinc/59/05/55/1121590555.db2.gz IVHUCJPTFLLRJL-JTQLQIEISA-N 0 2 294.351 3.701 20 5 CHBDLN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)C1CCCCCCC1 ZINC000776196830 1123132093 /nfs/dbraw/zinc/13/20/93/1123132093.db2.gz LSVOJZJIEOZQLW-UHFFFAOYSA-N 0 2 292.335 3.599 20 5 CHBDLN CCC[C@H](C)[C@@H](CC)Oc1cc(O)cc(O)c1[N+](=O)[O-] ZINC001228972914 1131989542 /nfs/dbraw/zinc/98/95/42/1131989542.db2.gz FJWSVJBQKZRJGM-JOYOIKCWSA-N 0 2 283.324 3.600 20 5 CHBDLN CC[C@@H](C)CONc1ncc([N+](=O)[O-])c2ccccc21 ZINC001163398550 1133147859 /nfs/dbraw/zinc/14/78/59/1133147859.db2.gz XCBCRJCHNUJDMU-SNVBAGLBSA-N 0 2 275.308 3.533 20 5 CHBDLN CC[C@@H](C)CON=c1[nH]cc([N+](=O)[O-])c2ccccc21 ZINC001163398550 1133147861 /nfs/dbraw/zinc/14/78/61/1133147861.db2.gz XCBCRJCHNUJDMU-SNVBAGLBSA-N 0 2 275.308 3.533 20 5 CHBDLN CC(C)=CCC[C@H](C)Oc1cccc(O)c1[N+](=O)[O-] ZINC001225620409 1135597766 /nfs/dbraw/zinc/59/77/66/1135597766.db2.gz QQTQFTDXXWSUCF-NSHDSACASA-N 0 2 265.309 3.814 20 5 CHBDLN C[C@@H]1CCC[C@@H](Oc2cccc(O)c2[N+](=O)[O-])[C@@H]1C ZINC001225620131 1135598545 /nfs/dbraw/zinc/59/85/45/1135598545.db2.gz NHANRWPNESJZER-CKYFFXLPSA-N 0 2 265.309 3.504 20 5 CHBDLN CC[C@H](C)CC[C@H](C)Oc1cc(O)cc(O)c1[N+](=O)[O-] ZINC001228974403 1125341248 /nfs/dbraw/zinc/34/12/48/1125341248.db2.gz SBJRZZKZKAKGIF-UWVGGRQHSA-N 0 2 283.324 3.600 20 5 CHBDLN CCCC[C@H](CCC)Oc1cc(O)cc(O)c1[N+](=O)[O-] ZINC001228974088 1131990016 /nfs/dbraw/zinc/99/00/16/1131990016.db2.gz OWPHGFVPULFGNH-NSHDSACASA-N 0 2 283.324 3.744 20 5 CHBDLN CC(=O)c1ccc(C)c(Nc2ccc(O)c([N+](=O)[O-])c2)c1 ZINC001210398674 1134209037 /nfs/dbraw/zinc/20/90/37/1134209037.db2.gz NVUZRGQYUILUNQ-UHFFFAOYSA-N 0 2 286.287 3.555 20 5 CHBDLN CC[C@H](C)CC[C@H](C)Oc1cccc(O)c1[N+](=O)[O-] ZINC001225619472 1135597324 /nfs/dbraw/zinc/59/73/24/1135597324.db2.gz BCTUVSXOMZVSBA-QWRGUYRKSA-N 0 2 267.325 3.894 20 5 CHBDLN CC[C@@H]1CCCC[C@@H]1Oc1cccc(O)c1[N+](=O)[O-] ZINC001225619877 1135597813 /nfs/dbraw/zinc/59/78/13/1135597813.db2.gz JHUCVDBKJNDAJC-PWSUYJOCSA-N 0 2 265.309 3.648 20 5 CHBDLN O=C(CC1CCCCCC1)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000483435150 1126787532 /nfs/dbraw/zinc/78/75/32/1126787532.db2.gz PYMHUGKRTOWJJL-UHFFFAOYSA-N 0 2 292.335 3.599 20 5 CHBDLN CC1(C)CC(c2noc([C@@H]3C[C@H]3[N+](=O)[O-])n2)CC(C)(C)C1 ZINC000854096597 1123469515 /nfs/dbraw/zinc/46/95/15/1123469515.db2.gz SYVBFSMDMYPBNM-GHMZBOCLSA-N 0 2 293.367 3.522 20 5 CHBDLN O=[N+]([O-])c1ccccc1Nc1cc(Cc2ccccc2)no1 ZINC001206140020 1133662670 /nfs/dbraw/zinc/66/26/70/1133662670.db2.gz FDKVRJIXMCCWAB-UHFFFAOYSA-N 0 2 295.298 3.917 20 5 CHBDLN CCCC(CCC)Oc1cccc(O)c1[N+](=O)[O-] ZINC001225621024 1135598161 /nfs/dbraw/zinc/59/81/61/1135598161.db2.gz ZHHSJZGKXQUMGM-UHFFFAOYSA-N 0 2 253.298 3.648 20 5 CHBDLN O=[N+]([O-])c1c(O)cccc1O[C@@H](c1ccccc1)C1CC1 ZINC001225624165 1135598980 /nfs/dbraw/zinc/59/89/80/1135598980.db2.gz VNZYVDFURDBWJX-INIZCTEOSA-N 0 2 285.299 3.831 20 5 CHBDLN CC/C=C(\C)[C@@H](CC)Oc1cc(O)cc(O)c1[N+](=O)[O-] ZINC001228973170 1131989125 /nfs/dbraw/zinc/98/91/25/1131989125.db2.gz HEYTWGNEMKFTCU-UVMWJGKXSA-N 0 2 281.308 3.520 20 5 CHBDLN O=[N+]([O-])c1ccccc1Nc1cc(-c2ccco2)no1 ZINC001206150160 1133664756 /nfs/dbraw/zinc/66/47/56/1133664756.db2.gz GFSOPOXMSAEDGB-UHFFFAOYSA-N 0 2 271.232 3.586 20 5 CHBDLN CC1(C)CCC[C@H](Oc2cccc(O)c2[N+](=O)[O-])C1 ZINC001225619929 1135598230 /nfs/dbraw/zinc/59/82/30/1135598230.db2.gz KRJSBUDZXHPKFU-JTQLQIEISA-N 0 2 265.309 3.648 20 5 CHBDLN C[C@H](Oc1cccc(O)c1[N+](=O)[O-])c1cccc(F)c1 ZINC001225624199 1135598960 /nfs/dbraw/zinc/59/89/60/1135598960.db2.gz VYBQYTWPFCZGIK-VIFPVBQESA-N 0 2 277.251 3.580 20 5 CHBDLN CC/C=C(\C)[C@@H](CC)Oc1cccc(O)c1[N+](=O)[O-] ZINC001225624488 1135599466 /nfs/dbraw/zinc/59/94/66/1135599466.db2.gz COWZGRQAWNDFHI-OFFHKIPUSA-N 0 2 265.309 3.814 20 5 CHBDLN CCC[C@@H](C)[C@@H](CC)Oc1cccc(O)c1[N+](=O)[O-] ZINC001225626854 1135599572 /nfs/dbraw/zinc/59/95/72/1135599572.db2.gz WSSBSHSOGFDUAF-ZYHUDNBSSA-N 0 2 267.325 3.894 20 5 CHBDLN C/C=C/c1ccc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)cc1 ZINC000561648694 327407768 /nfs/dbraw/zinc/40/77/68/327407768.db2.gz YZQSZXLFRLBOCV-NSCUHMNNSA-N 0 2 298.298 3.586 20 5 CHBDLN CC1(CC(=O)Nc2ccc(O)c([N+](=O)[O-])c2)CCCCC1 ZINC000483441371 331875632 /nfs/dbraw/zinc/87/56/32/331875632.db2.gz OFVNHWZXSFDLTI-UHFFFAOYSA-N 0 2 292.335 3.599 20 5 CHBDLN C/C=C/c1ccc(NC(=O)c2cccc(O)c2[N+](=O)[O-])cc1 ZINC000489953485 332074076 /nfs/dbraw/zinc/07/40/76/332074076.db2.gz OICBNYXAXUZHRZ-DUXPYHPUSA-N 0 2 298.298 3.586 20 5 CHBDLN C[C@@H]1CC[C@@H](Oc2cccc(O)c2[N+](=O)[O-])C[C@H]1C ZINC001225619480 1135597368 /nfs/dbraw/zinc/59/73/68/1135597368.db2.gz BEVKHJNQOWYOTD-GMTAPVOTSA-N 0 2 265.309 3.504 20 5 CHBDLN CC[C@H]1CCCC[C@H]1Oc1cccc(O)c1[N+](=O)[O-] ZINC001225619874 1135598188 /nfs/dbraw/zinc/59/81/88/1135598188.db2.gz JHUCVDBKJNDAJC-CMPLNLGQSA-N 0 2 265.309 3.648 20 5 CHBDLN Cc1cccc2c1CC[C@H]2Oc1cccc(O)c1[N+](=O)[O-] ZINC001225623838 1135599428 /nfs/dbraw/zinc/59/94/28/1135599428.db2.gz UCDHIIABBIYMGD-CQSZACIVSA-N 0 2 285.299 3.675 20 5 CHBDLN O=C(CC1CCCCCC1)Nc1cc([N+](=O)[O-])ccc1O ZINC000221014407 333171975 /nfs/dbraw/zinc/17/19/75/333171975.db2.gz LNSZXBOXOUDOLF-UHFFFAOYSA-N 0 2 292.335 3.599 20 5 CHBDLN C/C=C/c1ccc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])cc1 ZINC000360318107 1127495681 /nfs/dbraw/zinc/49/56/81/1127495681.db2.gz LXJUOCJIYZAATH-NSCUHMNNSA-N 0 2 298.298 3.586 20 5 CHBDLN CCC[C@H](C)[C@@H](Oc1cc(O)cc(O)c1[N+](=O)[O-])C(C)C ZINC001228975274 1131989276 /nfs/dbraw/zinc/98/92/76/1131989276.db2.gz YYTMSFBQNSJNON-BONVTDFDSA-N 0 2 297.351 3.846 20 5 CHBDLN CC(C)(C)Cc1cc(Nc2ccccc2[N+](=O)[O-])on1 ZINC001206140014 1132061291 /nfs/dbraw/zinc/06/12/91/1132061291.db2.gz DZJCNDQAQUIJLD-UHFFFAOYSA-N 0 2 275.308 3.915 20 5 CHBDLN C[C@@H](Oc1cccc(O)c1[N+](=O)[O-])c1ccc(F)c(F)c1 ZINC001225619562 1135596643 /nfs/dbraw/zinc/59/66/43/1135596643.db2.gz CONQTUJEJQXROJ-MRVPVSSYSA-N 0 2 295.241 3.719 20 5 CHBDLN CCCCC[C@H](C)Oc1cccc(O)c1[N+](=O)[O-] ZINC001225620736 1135597837 /nfs/dbraw/zinc/59/78/37/1135597837.db2.gz UBEUIYDLXUDADV-JTQLQIEISA-N 0 2 253.298 3.648 20 5 CHBDLN CC[C@H]1CCCC[C@@H]1Oc1cccc(O)c1[N+](=O)[O-] ZINC001225619876 1135597850 /nfs/dbraw/zinc/59/78/50/1135597850.db2.gz JHUCVDBKJNDAJC-JQWIXIFHSA-N 0 2 265.309 3.648 20 5 CHBDLN C[C@@H](Oc1cccc(O)c1[N+](=O)[O-])c1ccccc1F ZINC001225619801 1135598081 /nfs/dbraw/zinc/59/80/81/1135598081.db2.gz IXWDEFSWLIOXES-SECBINFHSA-N 0 2 277.251 3.580 20 5 CHBDLN Cc1ccc2c(c1)CC[C@H]2Oc1cccc(O)c1[N+](=O)[O-] ZINC001225622053 1135598119 /nfs/dbraw/zinc/59/81/19/1135598119.db2.gz DTYYJUGJVSELEL-CQSZACIVSA-N 0 2 285.299 3.675 20 5 CHBDLN CC[C@H](C[C@@H](C)CC)Oc1cccc(O)c1[N+](=O)[O-] ZINC001225619651 1135598178 /nfs/dbraw/zinc/59/81/78/1135598178.db2.gz GNWAKEGQERLGNL-WDEREUQCSA-N 0 2 267.325 3.894 20 5 CHBDLN C[C@@H]1CC[C@@H](C)[C@@H](Oc2cccc(O)c2[N+](=O)[O-])C1 ZINC001225619941 1135598197 /nfs/dbraw/zinc/59/81/97/1135598197.db2.gz KUDBEABLHCCMAE-BREBYQMCSA-N 0 2 265.309 3.504 20 5 CHBDLN C[C@H]1C[C@H](Oc2cccc(O)c2[N+](=O)[O-])C[C@@H](C)C1 ZINC001225619886 1135598217 /nfs/dbraw/zinc/59/82/17/1135598217.db2.gz JNMMWJBZMBGOMV-URLYPYJESA-N 0 2 265.309 3.504 20 5 CHBDLN CCC[C@H](Oc1cccc(O)c1[N+](=O)[O-])[C@H](C)CC ZINC001225619576 1135598504 /nfs/dbraw/zinc/59/85/04/1135598504.db2.gz CSDCALREBHXJNI-PWSUYJOCSA-N 0 2 267.325 3.894 20 5 CHBDLN C[C@@H]1CCC[C@@H](C)C1Oc1cccc(O)c1[N+](=O)[O-] ZINC001225619782 1122040242 /nfs/dbraw/zinc/04/02/42/1122040242.db2.gz IRXVIBHMOOKPET-NXEZZACHSA-N 0 2 265.309 3.504 20 5 CHBDLN C[C@H](CCC(C)(C)C)C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000542651737 1118164131 /nfs/dbraw/zinc/16/41/31/1118164131.db2.gz ZKAJEYLMJSSVEA-SNVBAGLBSA-N 0 2 294.351 3.701 20 5 CHBDLN C[C@@H]1C[C@H](Oc2cc(O)cc(O)c2[N+](=O)[O-])CC(C)(C)C1 ZINC001228972194 1131989676 /nfs/dbraw/zinc/98/96/76/1131989676.db2.gz UHNQWOYWIYWZRG-KOLCDFICSA-N 0 2 295.335 3.600 20 5 CHBDLN C[C@@H](Oc1cccc(O)c1[N+](=O)[O-])c1c(F)cccc1F ZINC001225624535 1135599191 /nfs/dbraw/zinc/59/91/91/1135599191.db2.gz ZDZFJOMEECEMTA-MRVPVSSYSA-N 0 2 295.241 3.719 20 5 CHBDLN O=C1CCCc2ccc(Nc3ccc(O)c([N+](=O)[O-])c3)cc21 ZINC001210400142 1134208636 /nfs/dbraw/zinc/20/86/36/1134208636.db2.gz CFGNPRIVOWNSSI-UHFFFAOYSA-N 0 2 298.298 3.563 20 5 CHBDLN CC[C@@H](C)CC[C@@H](C)Oc1cccc(O)c1[N+](=O)[O-] ZINC001225619469 1135597534 /nfs/dbraw/zinc/59/75/34/1135597534.db2.gz BCTUVSXOMZVSBA-GHMZBOCLSA-N 0 2 267.325 3.894 20 5 CHBDLN CCCCC[C@H](CC)C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC001138013837 1131450720 /nfs/dbraw/zinc/45/07/20/1131450720.db2.gz WOPKJVWSFXTCQV-NSHDSACASA-N 0 2 294.351 3.845 20 5 CHBDLN CCCC/C=C/[C@H](C)Oc1cc(O)cc(O)c1[N+](=O)[O-] ZINC001228972609 1131989408 /nfs/dbraw/zinc/98/94/08/1131989408.db2.gz ALMRKIHHHRTNEL-FGEFZZPRSA-N 0 2 281.308 3.520 20 5 CHBDLN CCC[C@@H]1CCCC[C@H]1Oc1cc(O)cc(O)c1[N+](=O)[O-] ZINC001228975028 1131989997 /nfs/dbraw/zinc/98/99/97/1131989997.db2.gz XJBYKJDIRNWJJV-ZWNOBZJWSA-N 0 2 295.335 3.744 20 5 CHBDLN CC/C=C(\C)[C@H](CC)Oc1cccc(O)c1[N+](=O)[O-] ZINC001225624489 1135599369 /nfs/dbraw/zinc/59/93/69/1135599369.db2.gz COWZGRQAWNDFHI-PMDBQALLSA-N 0 2 265.309 3.814 20 5 CHBDLN C[C@@H]1CCC[C@H](Oc2cccc(O)c2[N+](=O)[O-])[C@H]1C ZINC001225620134 1135598400 /nfs/dbraw/zinc/59/84/00/1135598400.db2.gz NHANRWPNESJZER-SCVCMEIPSA-N 0 2 265.309 3.504 20 5 CHBDLN O=C(CCCC1CCCC1)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000483444168 1126787896 /nfs/dbraw/zinc/78/78/96/1126787896.db2.gz XRQIMZRINIWNSN-UHFFFAOYSA-N 0 2 292.335 3.599 20 5 CHBDLN CC(C)(C)CCCCC(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC001138013227 1131450897 /nfs/dbraw/zinc/45/08/97/1131450897.db2.gz JSQBORZCULDUGK-UHFFFAOYSA-N 0 2 294.351 3.845 20 5 CHBDLN CC[C@@H](C)CC[C@H](C)Oc1cccc(O)c1[N+](=O)[O-] ZINC001225619471 1135597065 /nfs/dbraw/zinc/59/70/65/1135597065.db2.gz BCTUVSXOMZVSBA-MNOVXSKESA-N 0 2 267.325 3.894 20 5 CHBDLN O=[N+]([O-])c1c(O)cccc1O[C@H]1CCCc2ccccc21 ZINC001225624260 1135599136 /nfs/dbraw/zinc/59/91/36/1135599136.db2.gz XEOVDJLYYGHORS-AWEZNQCLSA-N 0 2 285.299 3.757 20 5 CHBDLN Cc1coc(C)c1-c1nc(-c2ccc([N+](=O)[O-])s2)no1 ZINC000347123338 226034161 /nfs/dbraw/zinc/03/41/61/226034161.db2.gz NPINBIFLHGYWDY-UHFFFAOYSA-N 0 2 291.288 3.583 20 5 CHBDLN Cc1ccc([C@H](C)Oc2cccc(O)c2[N+](=O)[O-])cc1 ZINC001225619507 1122039638 /nfs/dbraw/zinc/03/96/38/1122039638.db2.gz BOHUSBMDHWQQIJ-NSHDSACASA-N 0 2 273.288 3.749 20 5 CHBDLN CC(C)Cc1cc(Nc2ccccc2[N+](=O)[O-])on1 ZINC001206140159 1132050678 /nfs/dbraw/zinc/05/06/78/1132050678.db2.gz MDBQLEVEIQYOMH-UHFFFAOYSA-N 0 2 261.281 3.525 20 5 CHBDLN C[C@@H](CCc1ccccc1)Oc1cccc(O)c1[N+](=O)[O-] ZINC001225620386 1135597987 /nfs/dbraw/zinc/59/79/87/1135597987.db2.gz PJMJJCRSEBRKKE-LBPRGKRZSA-N 0 2 287.315 3.701 20 5 CHBDLN C[C@H](Oc1cccc(O)c1[N+](=O)[O-])c1cccc(F)c1F ZINC001225619775 1135598349 /nfs/dbraw/zinc/59/83/49/1135598349.db2.gz INUJQBGNAIJUTL-QMMMGPOBSA-N 0 2 295.241 3.719 20 5 CHBDLN CC(C)CCC[C@@H](C)Oc1cccc(O)c1[N+](=O)[O-] ZINC001225619970 1135598585 /nfs/dbraw/zinc/59/85/85/1135598585.db2.gz LTWIAAYRJUBGPL-LLVKDONJSA-N 0 2 267.325 3.894 20 5 CHBDLN Cc1ccc2c(c1)[C@@H](Oc1cccc(O)c1[N+](=O)[O-])CC2 ZINC001225623171 1135599343 /nfs/dbraw/zinc/59/93/43/1135599343.db2.gz NCWOMYJXSFCMKE-AWEZNQCLSA-N 0 2 285.299 3.675 20 5 CHBDLN CCCn1c2ccccc2nc1-c1ccc([N+](=O)[O-])c(O)c1 ZINC000463902013 331353437 /nfs/dbraw/zinc/35/34/37/331353437.db2.gz SEEGIFVBJOSQQZ-UHFFFAOYSA-N 0 2 297.314 3.727 20 5 CHBDLN CCC[C@@H](Oc1cccc(O)c1[N+](=O)[O-])C(C)C ZINC001225620844 1122043186 /nfs/dbraw/zinc/04/31/86/1122043186.db2.gz XBVSELGSMOWJAU-LLVKDONJSA-N 0 2 253.298 3.504 20 5 CHBDLN CC[C@H](C)CC[C@@H](C)Oc1cc(O)cc(O)c1[N+](=O)[O-] ZINC001228974408 1125341195 /nfs/dbraw/zinc/34/11/95/1125341195.db2.gz SBJRZZKZKAKGIF-VHSXEESVSA-N 0 2 283.324 3.600 20 5 CHBDLN Cc1sc(/C=C\c2ccc(O)c([N+](=O)[O-])c2)cc1C=O ZINC000760263242 1125429541 /nfs/dbraw/zinc/42/95/41/1125429541.db2.gz FNBKHAZGYIBBNH-RQOWECAXSA-N 0 2 289.312 3.653 20 5 CHBDLN CCCC/C=C/[C@@H](C)Oc1cc(O)cc(O)c1[N+](=O)[O-] ZINC001228972610 1131989104 /nfs/dbraw/zinc/98/91/04/1131989104.db2.gz ALMRKIHHHRTNEL-VQCYPWCPSA-N 0 2 281.308 3.520 20 5 CHBDLN O=[N+]([O-])c1ccc(O)cc1/C=C/c1nc2ccccc2o1 ZINC000157215533 334763662 /nfs/dbraw/zinc/76/36/62/334763662.db2.gz RLJXOUXTOQYUDL-VMPITWQZSA-N 0 2 282.255 3.612 20 5 CHBDLN C[C@@H](CCC(C)(C)C)C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000483435897 1126786828 /nfs/dbraw/zinc/78/68/28/1126786828.db2.gz DTLQXGITAUNOLF-JTQLQIEISA-N 0 2 294.351 3.701 20 5 CHBDLN O=[N+]([O-])c1ccccc1Nc1cc(C2CCCC2)no1 ZINC001206140367 1132050650 /nfs/dbraw/zinc/05/06/50/1132050650.db2.gz RGMDXWOXUFGNDP-UHFFFAOYSA-N 0 2 273.292 3.984 20 5 CHBDLN C[C@@H]1CCC[C@H](Oc2cccc(O)c2[N+](=O)[O-])[C@@H]1C ZINC001225620132 1135597908 /nfs/dbraw/zinc/59/79/08/1135597908.db2.gz NHANRWPNESJZER-FOGDFJRCSA-N 0 2 265.309 3.504 20 5 CHBDLN C[C@@H](Oc1cccc(O)c1[N+](=O)[O-])c1cccc(F)c1F ZINC001225619774 1135598589 /nfs/dbraw/zinc/59/85/89/1135598589.db2.gz INUJQBGNAIJUTL-MRVPVSSYSA-N 0 2 295.241 3.719 20 5 CHBDLN O=[N+]([O-])/C=C/c1ccc(Nc2ccccc2S)cc1 ZINC001175902921 1121494787 /nfs/dbraw/zinc/49/47/87/1121494787.db2.gz XDRXMDRQNFXRIM-MDZDMXLPSA-N 0 2 272.329 3.966 20 5 CHBDLN C[C@H](CC(=O)Nc1ccc(O)c([N+](=O)[O-])c1)CC(C)(C)C ZINC000614271674 1121590295 /nfs/dbraw/zinc/59/02/95/1121590295.db2.gz IVHUCJPTFLLRJL-SNVBAGLBSA-N 0 2 294.351 3.701 20 5 CHBDLN CC[C@@H](C)CC[C@H](C)Oc1cc(O)cc(O)c1[N+](=O)[O-] ZINC001228974412 1125341364 /nfs/dbraw/zinc/34/13/64/1125341364.db2.gz SBJRZZKZKAKGIF-ZJUUUORDSA-N 0 2 283.324 3.600 20 5 CHBDLN CCCC[C@@H](CCC)Oc1cc(O)cc(O)c1[N+](=O)[O-] ZINC001228974087 1131989889 /nfs/dbraw/zinc/98/98/89/1131989889.db2.gz OWPHGFVPULFGNH-LLVKDONJSA-N 0 2 283.324 3.744 20 5 CHBDLN Cc1ccc(Nc2cc(C(F)(F)F)no2)c([N+](=O)[O-])c1 ZINC001214165568 1134515901 /nfs/dbraw/zinc/51/59/01/1134515901.db2.gz XSYIHTSDFCVHGJ-UHFFFAOYSA-N 0 2 287.197 3.654 20 5 CHBDLN C[C@@H]1CC(Oc2cccc(O)c2[N+](=O)[O-])C[C@@H](C)C1 ZINC001225619887 1135597882 /nfs/dbraw/zinc/59/78/82/1135597882.db2.gz JNMMWJBZMBGOMV-UWVGGRQHSA-N 0 2 265.309 3.504 20 5 CHBDLN O=[N+]([O-])c1c(O)cccc1O[C@@H]1CCCc2ccccc21 ZINC001225620866 1135598578 /nfs/dbraw/zinc/59/85/78/1135598578.db2.gz XEOVDJLYYGHORS-CQSZACIVSA-N 0 2 285.299 3.757 20 5 CHBDLN Cc1cccc2c1[C@@H](Oc1cccc(O)c1[N+](=O)[O-])CC2 ZINC001225624183 1135598826 /nfs/dbraw/zinc/59/88/26/1135598826.db2.gz VQMNSACLWOCXEL-ZDUSSCGKSA-N 0 2 285.299 3.675 20 5 CHBDLN C/C=C\c1ccc(NC(=O)c2cccc(O)c2[N+](=O)[O-])cc1 ZINC000489953487 332073963 /nfs/dbraw/zinc/07/39/63/332073963.db2.gz OICBNYXAXUZHRZ-RQOWECAXSA-N 0 2 298.298 3.586 20 5 CHBDLN C[C@H](Oc1cccc(O)c1[N+](=O)[O-])c1ccc(F)c(F)c1 ZINC001225619563 1135596851 /nfs/dbraw/zinc/59/68/51/1135596851.db2.gz CONQTUJEJQXROJ-QMMMGPOBSA-N 0 2 295.241 3.719 20 5 CHBDLN CCCC/C=C/[C@H](C)Oc1cccc(O)c1[N+](=O)[O-] ZINC001225619437 1135597151 /nfs/dbraw/zinc/59/71/51/1135597151.db2.gz AFFWMTZVPTUXFP-IOCXFXADSA-N 0 2 265.309 3.814 20 5 CHBDLN Cc1ccc2c(c1)CC[C@@H]2Oc1cccc(O)c1[N+](=O)[O-] ZINC001225622051 1135598105 /nfs/dbraw/zinc/59/81/05/1135598105.db2.gz DTYYJUGJVSELEL-AWEZNQCLSA-N 0 2 285.299 3.675 20 5 CHBDLN C[C@@H]1CC[C@H](C)[C@@H](Oc2cccc(O)c2[N+](=O)[O-])C1 ZINC001225619944 1135598252 /nfs/dbraw/zinc/59/82/52/1135598252.db2.gz KUDBEABLHCCMAE-NRUUGDAUSA-N 0 2 265.309 3.504 20 5 CHBDLN CCC(CC)[C@H](CC)Oc1cccc(O)c1[N+](=O)[O-] ZINC001225620961 1135598489 /nfs/dbraw/zinc/59/84/89/1135598489.db2.gz YQQMJARVJPZYIF-LBPRGKRZSA-N 0 2 267.325 3.894 20 5 CHBDLN C/C=C/c1ccc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)cc1 ZINC000436745954 330684064 /nfs/dbraw/zinc/68/40/64/330684064.db2.gz WJRCNGLYOLPMCG-NSCUHMNNSA-N 0 2 298.298 3.586 20 5 CHBDLN CC[C@H](C)CC[C@@H](C)Oc1cccc(O)c1[N+](=O)[O-] ZINC001225619473 1122039690 /nfs/dbraw/zinc/03/96/90/1122039690.db2.gz BCTUVSXOMZVSBA-WDEREUQCSA-N 0 2 267.325 3.894 20 5 CHBDLN O=C(CCC1CCCCC1)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000544407450 1123319390 /nfs/dbraw/zinc/31/93/90/1123319390.db2.gz GOLBUMWMHLLPMT-UHFFFAOYSA-N 0 2 292.335 3.599 20 5 CHBDLN CC(=O)c1cccc(Nc2ccc(O)c([N+](=O)[O-])c2)c1C ZINC001210399813 1134209585 /nfs/dbraw/zinc/20/95/85/1134209585.db2.gz VWIFSTKJWDJUPL-UHFFFAOYSA-N 0 2 286.287 3.555 20 5 CHBDLN Cc1ccccc1[C@H](C)Oc1cccc(O)c1[N+](=O)[O-] ZINC001225619967 1135598498 /nfs/dbraw/zinc/59/84/98/1135598498.db2.gz LPMBBGFMUUTWAI-NSHDSACASA-N 0 2 273.288 3.749 20 5 CHBDLN CC[C@H](Oc1cccc(O)c1[N+](=O)[O-])C(C)(C)C ZINC001225619715 1135598566 /nfs/dbraw/zinc/59/85/66/1135598566.db2.gz HLPNKDQEUVELLQ-NSHDSACASA-N 0 2 253.298 3.504 20 5 CHBDLN CCC[C@@H](C)[C@H](CC)Oc1cccc(O)c1[N+](=O)[O-] ZINC001225626852 1135599592 /nfs/dbraw/zinc/59/95/92/1135599592.db2.gz WSSBSHSOGFDUAF-PWSUYJOCSA-N 0 2 267.325 3.894 20 5 CHBDLN CC1(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)CCCCCC1 ZINC000483431261 1126785456 /nfs/dbraw/zinc/78/54/56/1126785456.db2.gz AOQKPTOBTJJSTB-UHFFFAOYSA-N 0 2 292.335 3.599 20 5 CHBDLN CC(C)C[C@@H](Oc1cccc(O)c1[N+](=O)[O-])C(C)C ZINC001225619624 1135598457 /nfs/dbraw/zinc/59/84/57/1135598457.db2.gz FOLHFUGWLHPHMQ-CYBMUJFWSA-N 0 2 267.325 3.750 20 5 CHBDLN C[C@H](Oc1cccc(O)c1[N+](=O)[O-])c1cccs1 ZINC001225624251 1135599245 /nfs/dbraw/zinc/59/92/45/1135599245.db2.gz XBASWZMZBZGHOD-QMMMGPOBSA-N 0 2 265.290 3.502 20 5 CHBDLN CCC[C@H](C)[C@@H](CC)Oc1cccc(O)c1[N+](=O)[O-] ZINC001225626849 1135599500 /nfs/dbraw/zinc/59/95/00/1135599500.db2.gz WSSBSHSOGFDUAF-CMPLNLGQSA-N 0 2 267.325 3.894 20 5 CHBDLN Nc1nonc1Nc1c2ccccc2cc2ccccc21 ZINC001175352264 1121293530 /nfs/dbraw/zinc/29/35/30/1121293530.db2.gz IAHCYPHNXXTJRL-UHFFFAOYSA-N 0 2 276.299 3.702 20 5 CHBDLN O=[N+]([O-])/C=C/c1ccc(Nc2ccc(S)cc2)cc1 ZINC001175902879 1121494886 /nfs/dbraw/zinc/49/48/86/1121494886.db2.gz KLPSGOKNYRXZMA-MDZDMXLPSA-N 0 2 272.329 3.966 20 5 CHBDLN CCCn1c2ccccc2nc1-c1ccc(O)c([N+](=O)[O-])c1 ZINC000436684638 1122571968 /nfs/dbraw/zinc/57/19/68/1122571968.db2.gz DDTOUGAATDAGMF-UHFFFAOYSA-N 0 2 297.314 3.727 20 5 CHBDLN C[C@@H]1CCC[C@@H](Oc2cccc(O)c2[N+](=O)[O-])[C@H]1C ZINC001225620133 1135597973 /nfs/dbraw/zinc/59/79/73/1135597973.db2.gz NHANRWPNESJZER-JFGNBEQYSA-N 0 2 265.309 3.504 20 5 CHBDLN CC(C)CC[C@@H](C)Oc1cccc(O)c1[N+](=O)[O-] ZINC001225619636 1135598470 /nfs/dbraw/zinc/59/84/70/1135598470.db2.gz FZEVPPYFWDFFPH-SNVBAGLBSA-N 0 2 253.298 3.504 20 5 CHBDLN C[C@@H](Oc1cccc(O)c1[N+](=O)[O-])c1cccs1 ZINC001225624249 1135599097 /nfs/dbraw/zinc/59/90/97/1135599097.db2.gz XBASWZMZBZGHOD-MRVPVSSYSA-N 0 2 265.290 3.502 20 5 CHBDLN CCC[C@@H](Oc1cccc(O)c1[N+](=O)[O-])C(C)(C)C ZINC001225619744 1135598241 /nfs/dbraw/zinc/59/82/41/1135598241.db2.gz IEZMUCNOCSIECX-GFCCVEGCSA-N 0 2 267.325 3.894 20 5 CHBDLN O=[N+]([O-])c1c(O)cccc1O[C@@H]1CCC=CCCC1 ZINC001225620116 1135598304 /nfs/dbraw/zinc/59/83/04/1135598304.db2.gz MYSVQRDXMNAJTI-LLVKDONJSA-N 0 2 263.293 3.568 20 5 CHBDLN CCC[C@H](Oc1cccc(O)c1[N+](=O)[O-])C(C)C ZINC001225620845 1122042433 /nfs/dbraw/zinc/04/24/33/1122042433.db2.gz XBVSELGSMOWJAU-NSHDSACASA-N 0 2 253.298 3.504 20 5 CHBDLN CC(C)CON=c1ccc([N+](=O)[O-])c(-c2ccccc2)[nH]1 ZINC000788077093 1130173016 /nfs/dbraw/zinc/17/30/16/1130173016.db2.gz SKRDDQLWEILWLI-UHFFFAOYSA-N 0 2 287.319 3.656 20 5 CHBDLN CCC[C@H]1CCCC[C@@H]1Oc1cc(O)cc(O)c1[N+](=O)[O-] ZINC001228975025 1131990110 /nfs/dbraw/zinc/99/01/10/1131990110.db2.gz XJBYKJDIRNWJJV-GWCFXTLKSA-N 0 2 295.335 3.744 20 5 CHBDLN C[C@@H]1CC[C@H](Oc2cccc(O)c2[N+](=O)[O-])C[C@H]1C ZINC001225619481 1135597313 /nfs/dbraw/zinc/59/73/13/1135597313.db2.gz BEVKHJNQOWYOTD-MXWKQRLJSA-N 0 2 265.309 3.504 20 5 CHBDLN CC[C@H]1CC[C@H](Oc2cccc(O)c2[N+](=O)[O-])CC1 ZINC001225620883 1135598235 /nfs/dbraw/zinc/59/82/35/1135598235.db2.gz XNKNCWDFOLUTJM-XYPYZODXSA-N 0 2 265.309 3.648 20 5 CHBDLN C[C@@H]1CCC[C@H](C)[C@H]1Oc1cccc(O)c1[N+](=O)[O-] ZINC001225619781 1135597779 /nfs/dbraw/zinc/59/77/79/1135597779.db2.gz IRXVIBHMOOKPET-MSRIBSCDSA-N 0 2 265.309 3.504 20 5 CHBDLN O=[N+]([O-])c1cc(-c2nc3cc(F)ccc3s2)ccc1O ZINC000436659315 330682417 /nfs/dbraw/zinc/68/24/17/330682417.db2.gz ZUZGHJVRBVRDKR-UHFFFAOYSA-N 0 2 290.275 3.716 20 5 CHBDLN C[C@@H]1CC[C@@H](C)[C@H](Oc2cccc(O)c2[N+](=O)[O-])C1 ZINC001225619943 1135598298 /nfs/dbraw/zinc/59/82/98/1135598298.db2.gz KUDBEABLHCCMAE-GIPNMCIBSA-N 0 2 265.309 3.504 20 5 CHBDLN CC(C)n1c2ccccc2nc1-c1ccc(O)c([N+](=O)[O-])c1 ZINC000603836116 1119610161 /nfs/dbraw/zinc/61/01/61/1119610161.db2.gz RMPSROBLUDDVQX-UHFFFAOYSA-N 0 2 297.314 3.898 20 5 CHBDLN O=[N+]([O-])c1ccccc1Nc1cc(C2CCC2)no1 ZINC001206140524 1133662786 /nfs/dbraw/zinc/66/27/86/1133662786.db2.gz WMOZQUALLHGDDW-UHFFFAOYSA-N 0 2 259.265 3.594 20 5 CHBDLN O=[N+]([O-])c1cc(F)ccc1Nc1cc(-c2ccco2)no1 ZINC001210952804 1134338071 /nfs/dbraw/zinc/33/80/71/1134338071.db2.gz QPTCJEFYZBIRNG-UHFFFAOYSA-N 0 2 289.222 3.726 20 5 CHBDLN CC[C@H](C)C[C@H](CC)Oc1cccc(O)c1[N+](=O)[O-] ZINC001225619650 1135598013 /nfs/dbraw/zinc/59/80/13/1135598013.db2.gz GNWAKEGQERLGNL-QWRGUYRKSA-N 0 2 267.325 3.894 20 5 CHBDLN O=[N+]([O-])c1c(O)cccc1O[C@H]1CCC=CCCC1 ZINC001225620117 1135598044 /nfs/dbraw/zinc/59/80/44/1135598044.db2.gz MYSVQRDXMNAJTI-NSHDSACASA-N 0 2 263.293 3.568 20 5 CHBDLN CCC[C@@H](Oc1cccc(O)c1[N+](=O)[O-])[C@@H](C)CC ZINC001225619574 1135598151 /nfs/dbraw/zinc/59/81/51/1135598151.db2.gz CSDCALREBHXJNI-CMPLNLGQSA-N 0 2 267.325 3.894 20 5 CHBDLN CCC[C@@H](Oc1cccc(O)c1[N+](=O)[O-])[C@H](C)CC ZINC001225619577 1135598221 /nfs/dbraw/zinc/59/82/21/1135598221.db2.gz CSDCALREBHXJNI-ZYHUDNBSSA-N 0 2 267.325 3.894 20 5 CHBDLN Cc1ccccc1[C@@H](C)Oc1cccc(O)c1[N+](=O)[O-] ZINC001225619966 1135598523 /nfs/dbraw/zinc/59/85/23/1135598523.db2.gz LPMBBGFMUUTWAI-LLVKDONJSA-N 0 2 273.288 3.749 20 5 CHBDLN C[C@H](Oc1cccc(O)c1[N+](=O)[O-])c1c(F)cccc1F ZINC001225624536 1135599215 /nfs/dbraw/zinc/59/92/15/1135599215.db2.gz ZDZFJOMEECEMTA-QMMMGPOBSA-N 0 2 295.241 3.719 20 5 CHBDLN C[C@H](CCC(C)(C)C)C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000483435898 331875582 /nfs/dbraw/zinc/87/55/82/331875582.db2.gz DTLQXGITAUNOLF-SNVBAGLBSA-N 0 2 294.351 3.701 20 5 CHBDLN C[C@@H](CCC(C)(C)C)C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000542651736 1118164098 /nfs/dbraw/zinc/16/40/98/1118164098.db2.gz ZKAJEYLMJSSVEA-JTQLQIEISA-N 0 2 294.351 3.701 20 5 CHBDLN CCC(CC)[C@H](CC)Oc1cc(O)cc(O)c1[N+](=O)[O-] ZINC001228971608 1125340759 /nfs/dbraw/zinc/34/07/59/1125340759.db2.gz QWMRUMXGGKZQBA-LBPRGKRZSA-N 0 2 283.324 3.600 20 5 CHBDLN C[C@H]1C[C@H](Oc2cc(O)cc(O)c2[N+](=O)[O-])CC(C)(C)C1 ZINC001228972196 1131989168 /nfs/dbraw/zinc/98/91/68/1131989168.db2.gz UHNQWOYWIYWZRG-ONGXEEELSA-N 0 2 295.335 3.600 20 5 CHBDLN C[C@@H]1C[C@@H](Oc2cc(O)cc(O)c2[N+](=O)[O-])CC(C)(C)C1 ZINC001228972195 1131989903 /nfs/dbraw/zinc/98/99/03/1131989903.db2.gz UHNQWOYWIYWZRG-MWLCHTKSSA-N 0 2 295.335 3.600 20 5 CHBDLN CC(C)CCC[C@H](C)Oc1cccc(O)c1[N+](=O)[O-] ZINC001225619971 1135598038 /nfs/dbraw/zinc/59/80/38/1135598038.db2.gz LTWIAAYRJUBGPL-NSHDSACASA-N 0 2 267.325 3.894 20 5 CHBDLN Cc1cccc([C@H](C)Oc2cccc(O)c2[N+](=O)[O-])c1 ZINC001225619637 1135598261 /nfs/dbraw/zinc/59/82/61/1135598261.db2.gz GBFJQNVJNPYUKU-NSHDSACASA-N 0 2 273.288 3.749 20 5 CHBDLN CC(C)[C@H]1CC[C@H](Oc2cc(O)cc(O)c2[N+](=O)[O-])CC1 ZINC001228973137 1131989750 /nfs/dbraw/zinc/98/97/50/1131989750.db2.gz GIAXGOPZVRRFMF-UMSPYCQHSA-N 0 2 295.335 3.600 20 5 CHBDLN CC(C)(C)c1cc(Nc2ccccc2[N+](=O)[O-])on1 ZINC001206144376 1132080579 /nfs/dbraw/zinc/08/05/79/1132080579.db2.gz JMHWZSOJXNMKNV-UHFFFAOYSA-N 0 2 261.281 3.624 20 5 CHBDLN C[C@@H]1CC[C@H](C)[C@H](Oc2cccc(O)c2[N+](=O)[O-])C1 ZINC001225619942 1135598571 /nfs/dbraw/zinc/59/85/71/1135598571.db2.gz KUDBEABLHCCMAE-GBIKHYSHSA-N 0 2 265.309 3.504 20 5 CHBDLN O=[N+]([O-])c1c(O)cccc1O[C@H]1CCc2cc(F)ccc21 ZINC001225626482 1135599277 /nfs/dbraw/zinc/59/92/77/1135599277.db2.gz RXAUJFHETGHSGF-ZDUSSCGKSA-N 0 2 289.262 3.506 20 5 CHBDLN C[C@@H](Oc1cccc(O)c1[N+](=O)[O-])c1ccc(F)cc1 ZINC001225624149 1135599437 /nfs/dbraw/zinc/59/94/37/1135599437.db2.gz VCSJQKDQROWYBS-SECBINFHSA-N 0 2 277.251 3.580 20 5 CHBDLN O=[N+]([O-])c1c(O)cccc1OC1CCCCCCC1 ZINC001225621014 1135598319 /nfs/dbraw/zinc/59/83/19/1135598319.db2.gz YYHYWWDJOXEHIW-UHFFFAOYSA-N 0 2 265.309 3.792 20 5 CHBDLN CC[C@@H](C)CC[C@@H](C)Oc1cc(O)cc(O)c1[N+](=O)[O-] ZINC001228974402 1125341275 /nfs/dbraw/zinc/34/12/75/1125341275.db2.gz SBJRZZKZKAKGIF-NXEZZACHSA-N 0 2 283.324 3.600 20 5 CHBDLN C[C@H]1CC(Oc2cccc(O)c2[N+](=O)[O-])C[C@H](C)C1 ZINC001225619885 1135597937 /nfs/dbraw/zinc/59/79/37/1135597937.db2.gz JNMMWJBZMBGOMV-NXEZZACHSA-N 0 2 265.309 3.504 20 5 CHBDLN CCCC[C@H](CC)Oc1cccc(O)c1[N+](=O)[O-] ZINC001225620684 1135598092 /nfs/dbraw/zinc/59/80/92/1135598092.db2.gz SGWJVFFTXWXFKL-JTQLQIEISA-N 0 2 253.298 3.648 20 5 CHBDLN CCC(CC)[C@@H](CC)Oc1cccc(O)c1[N+](=O)[O-] ZINC001225620957 1135598281 /nfs/dbraw/zinc/59/82/81/1135598281.db2.gz YQQMJARVJPZYIF-GFCCVEGCSA-N 0 2 267.325 3.894 20 5 CHBDLN CC1(C)CCC(Oc2cccc(O)c2[N+](=O)[O-])CC1 ZINC001225623729 1135599477 /nfs/dbraw/zinc/59/94/77/1135599477.db2.gz RDZSIIXIVZYGRS-UHFFFAOYSA-N 0 2 265.309 3.648 20 5 CHBDLN CCCCCC(C)(C)C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000776199342 1123130723 /nfs/dbraw/zinc/13/07/23/1123130723.db2.gz GYFIYPJDWAJBNL-UHFFFAOYSA-N 0 2 294.351 3.845 20 5 CHBDLN C[C@@H]1CC[C@@H](Oc2cccc(O)c2[N+](=O)[O-])C[C@@H]1C ZINC001225619482 1135596954 /nfs/dbraw/zinc/59/69/54/1135596954.db2.gz BEVKHJNQOWYOTD-OUAUKWLOSA-N 0 2 265.309 3.504 20 5 CHBDLN C[C@@H]1CC[C@H](Oc2cccc(O)c2[N+](=O)[O-])C[C@@H]1C ZINC001225619484 1135596970 /nfs/dbraw/zinc/59/69/70/1135596970.db2.gz BEVKHJNQOWYOTD-VWYCJHECSA-N 0 2 265.309 3.504 20 5 CHBDLN CC(C)C[C@H](Oc1cccc(O)c1[N+](=O)[O-])C(C)C ZINC001225619625 1135597898 /nfs/dbraw/zinc/59/78/98/1135597898.db2.gz FOLHFUGWLHPHMQ-ZDUSSCGKSA-N 0 2 267.325 3.750 20 5 CHBDLN CC[C@@H](Oc1cccc(O)c1[N+](=O)[O-])c1ccccc1 ZINC001225622129 1135598275 /nfs/dbraw/zinc/59/82/75/1135598275.db2.gz FTFHPCFCSLAWJJ-CYBMUJFWSA-N 0 2 273.288 3.831 20 5 CHBDLN CC[C@H](Oc1cccc(O)c1[N+](=O)[O-])c1ccccc1F ZINC001225620976 1135598481 /nfs/dbraw/zinc/59/84/81/1135598481.db2.gz YSXZJAFHJIYEGZ-ZDUSSCGKSA-N 0 2 291.278 3.970 20 5 CHBDLN CC[C@@H]1CCCC[C@H]1Oc1cccc(O)c1[N+](=O)[O-] ZINC001225619878 1135598515 /nfs/dbraw/zinc/59/85/15/1135598515.db2.gz JHUCVDBKJNDAJC-ZYHUDNBSSA-N 0 2 265.309 3.648 20 5 CHBDLN Cc1ccc2c(c1)[C@H](Oc1cccc(O)c1[N+](=O)[O-])CC2 ZINC001225623273 1135599044 /nfs/dbraw/zinc/59/90/44/1135599044.db2.gz NCWOMYJXSFCMKE-CQSZACIVSA-N 0 2 285.299 3.675 20 5 CHBDLN