smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN1C(=O)N/C(=C/c2ccc(N3CCCCC3)c(F)c2)C1=O ZINC000409191680 530045761 /nfs/dbraw/zinc/04/57/61/530045761.db2.gz KPGCJQXMJYCXBS-JLHYYAGUSA-N 0 0 303.337 2.339 40 10 DECBRN CN(C)c1ccc(CNc2ccc(S(N)(=O)=O)cc2)cc1 ZINC000003852427 181049771 /nfs/dbraw/zinc/04/97/71/181049771.db2.gz LTKHAOIYRFOKFS-UHFFFAOYSA-N 0 0 305.403 2.012 40 10 DECBRN O=C1OC2(CCCCC2)OC(=O)C1=Cc1ccc([N+](=O)[O-])o1 ZINC000000241969 401691943 /nfs/dbraw/zinc/69/19/43/401691943.db2.gz VWSKKZWAOIGZLM-UHFFFAOYSA-N 0 0 307.258 2.332 40 10 DECBRN CCCOc1ccc(Cl)cc1C=C1C(=O)NC(=S)NC1=O ZINC000096193590 402067603 /nfs/dbraw/zinc/06/76/03/402067603.db2.gz XJOCXBRXVGKKTA-UHFFFAOYSA-N 0 0 324.789 2.043 40 10 DECBRN CCOc1cc(/C=C2\C(=O)N(C)C(C)=C2C(=O)OC)ccc1O ZINC000408893968 528195903 /nfs/dbraw/zinc/19/59/03/528195903.db2.gz PEFUZYOOPVWXDT-WQLSENKSSA-N 0 0 317.341 2.093 40 10 DECBRN CCOC(=O)c1ccc(NC=C2SC(=S)NC2=O)cc1 ZINC000584906245 357332241 /nfs/dbraw/zinc/33/22/41/357332241.db2.gz IZOHJQQNEMBGQF-YFHOEESVSA-N 0 0 308.384 2.265 40 10 DECBRN Nc1ccc(CC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000020185695 401823926 /nfs/dbraw/zinc/82/39/26/401823926.db2.gz LOYKIUTXMRCWIL-UHFFFAOYSA-N 0 0 313.376 2.299 40 10 DECBRN CN(C)c1ccc2c(c1)CN(C(=O)c1c[nH]cn1)[C@H]2c1cnco1 ZINC000096086994 402057487 /nfs/dbraw/zinc/05/74/87/402057487.db2.gz PYNDPSHPGVKAOG-MRXNPFEDSA-N 0 0 323.356 2.209 40 10 DECBRN CN1C(=O)/C(=C/c2ccc(C(C)(C)C)cc2)C(=O)NC1=S ZINC000408912896 277005410 /nfs/dbraw/zinc/00/54/10/277005410.db2.gz IBMQOUPBGONBMM-FMIVXFBMSA-N 0 0 302.399 2.241 40 10 DECBRN CCCOc1ccc(C=C2C(=O)NC(=S)NC2=O)cc1Cl ZINC000408872941 528656378 /nfs/dbraw/zinc/65/63/78/528656378.db2.gz LOTAPXUABFUOSU-UHFFFAOYSA-N 0 0 324.789 2.043 40 10 DECBRN CCNC(=O)c1ccc(/C=C2\SC(=S)N(C)C2=O)cc1 ZINC000005374679 181235908 /nfs/dbraw/zinc/23/59/08/181235908.db2.gz RBJVFFVQHNTCMI-FLIBITNWSA-N 0 0 306.412 2.267 40 10 DECBRN COC(=O)C1=C(C)NC(=O)/C1=C\c1cc([N+](=O)[O-])ccc1Cl ZINC000000573233 401701651 /nfs/dbraw/zinc/70/16/51/401701651.db2.gz QSCXIWKVDQTOOR-POHAHGRESA-N 0 0 322.704 2.208 40 10 DECBRN O=C1OC2(CCCC2)OC(=O)C1=Cc1ccc([N+](=O)[O-])cc1 ZINC000058866249 402103103 /nfs/dbraw/zinc/10/31/03/402103103.db2.gz XJRJQWBOJYUQPM-UHFFFAOYSA-N 0 0 303.270 2.349 40 10 DECBRN CN1C(=O)N/C(=C/c2ccc(N3CCCCC3)cc2F)C1=O ZINC000409194110 530045736 /nfs/dbraw/zinc/04/57/36/530045736.db2.gz OAQNEBKEZIKOCB-NTEUORMPSA-N 0 0 303.337 2.339 40 10 DECBRN Cc1nc2c(c(=O)[nH]1)CCN(Cc1ccc3c(c1)CCCN3C)C2 ZINC000019576611 401822454 /nfs/dbraw/zinc/82/24/54/401822454.db2.gz ZPKIXWAKMVBWCB-UHFFFAOYSA-N 0 0 324.428 2.431 40 10 DECBRN O=C1OC2(CCCC2)OC(=O)C1=C/C=C/c1ccc([N+](=O)[O-])o1 ZINC000001868639 280305456 /nfs/dbraw/zinc/30/54/56/280305456.db2.gz JKHXYYXAKJRYHD-ONEGZZNKSA-N 0 0 319.269 2.498 40 10 DECBRN O=C1OC2(CCCC2)OC(=O)C1=Cc1ccc([N+](=O)[O-])s1 ZINC000002024398 280305578 /nfs/dbraw/zinc/30/55/78/280305578.db2.gz LHOBNVRNEMCLDJ-UHFFFAOYSA-N 0 0 309.299 2.410 40 10 DECBRN Cc1cc(C)c(C=C2C(=O)N(C)C(=S)N(C)C2=O)c(C)c1 ZINC000059139691 301181139 /nfs/dbraw/zinc/18/11/39/301181139.db2.gz ICASYLDLMPAMNO-UHFFFAOYSA-N 0 0 302.399 2.211 40 10 DECBRN CC(=O)CC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC000005383003 181237434 /nfs/dbraw/zinc/23/74/34/181237434.db2.gz SVBXBQVRWTXNMF-UHFFFAOYSA-N 0 0 307.305 2.380 40 10 DECBRN CN1C(=O)C(=CNc2cccc3ccccc32)C(=O)N(C)C1=O ZINC000003189447 401722542 /nfs/dbraw/zinc/72/25/42/401722542.db2.gz YOSHEBUFWAUMKX-UHFFFAOYSA-N 0 0 309.325 2.186 40 10 DECBRN COc1ccc(N2CCN(C(=S)NCC(C)C)CC2)cc1 ZINC000000414884 401697180 /nfs/dbraw/zinc/69/71/80/401697180.db2.gz GHMWRQRDDNEEIQ-UHFFFAOYSA-N 0 0 307.463 2.348 40 10 DECBRN CCN1CCN(c2c(N)cc(OC)cc2Br)CC1 ZINC000045886064 401963437 /nfs/dbraw/zinc/96/34/37/401963437.db2.gz BJCSRQVXCZTFRE-UHFFFAOYSA-N 0 0 314.227 2.182 40 10 DECBRN O=C1Cc2c(O)cc(O)cc2OC1c1cc(O)c(O)c(O)c1 ZINC000139664803 340546104 /nfs/dbraw/zinc/54/61/04/340546104.db2.gz WBGFNJJITBCOQW-UHFFFAOYSA-N 0 0 304.254 2.076 40 10 DECBRN COC(=O)C1=C(C)N(C(C)C)C(=O)/C1=C\c1ccccc1O ZINC000059959473 283741264 /nfs/dbraw/zinc/74/12/64/283741264.db2.gz ICAYRXVRIXGGGN-LCYFTJDESA-N 0 0 301.342 2.473 40 10 DECBRN CCN1CCN(C2=NC(=O)/C(=C/c3cccs3)S2)CC1 ZINC000013547706 401800762 /nfs/dbraw/zinc/80/07/62/401800762.db2.gz QNMVZWKWSCNMEA-BENRWUELSA-N 0 0 307.444 2.356 40 10 DECBRN CNC(=O)CCN1C(=O)/C(=C/c2ccccc2)SC1=S ZINC000054360724 276998110 /nfs/dbraw/zinc/99/81/10/276998110.db2.gz GCEJBYODUDIHSX-LUAWRHEFSA-N 0 0 306.412 2.024 40 10 DECBRN CC(C)(C)NC(=S)N1CCN(c2ccc3c(c2)OCO3)CC1 ZINC000408586373 526325691 /nfs/dbraw/zinc/32/56/91/526325691.db2.gz OECZTCBNGDTBTM-UHFFFAOYSA-N 0 0 321.446 2.210 40 10 DECBRN COC(=O)C1=C(C)NC(=O)/C1=C\c1ccccc1Br ZINC000000573243 180825069 /nfs/dbraw/zinc/82/50/69/180825069.db2.gz RKWZJMOKFFAJHT-YFHOEESVSA-N 0 0 322.158 2.409 40 10 DECBRN CCOc1ccc(/C=C2\C(=O)NC(C)=C2C(=O)OC)cc1OC ZINC000014406507 181951139 /nfs/dbraw/zinc/95/11/39/181951139.db2.gz XRYXJQCUQQMFBT-WQLSENKSSA-N 0 0 317.341 2.054 40 10 DECBRN CC(C)c1ccc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc1 ZINC000059139215 276051582 /nfs/dbraw/zinc/05/15/82/276051582.db2.gz CQBPNSOMQCJLCF-UHFFFAOYSA-N 0 0 302.399 2.409 40 10 DECBRN CCN1C(=O)C(=Cc2sccc2C)C(=O)N(CC)C1=S ZINC000006438618 181341402 /nfs/dbraw/zinc/34/14/02/181341402.db2.gz TURLRBKLRFQGTA-UHFFFAOYSA-N 0 0 308.428 2.435 40 10 DECBRN O=C1NC(=S)SC1=C1c2cccc3c2N(CCC3)C1=O ZINC000001256094 401705375 /nfs/dbraw/zinc/70/53/75/401705375.db2.gz TWYYRZTVLSRMHT-PKNBQFBNSA-N 0 0 302.380 2.250 40 10 DECBRN COC(CNC(C)=C1C(C)=NN(c2ccc(F)cc2)C1=O)OC ZINC000103916054 402194808 /nfs/dbraw/zinc/19/48/08/402194808.db2.gz JWGYGMXBXMLXKA-GDNBJRDFSA-N 0 0 321.352 2.031 40 10 DECBRN CCCN1C(=O)N/C(=C/c2cc(C)n(CCOC)c2C)C1=O ZINC000409241935 528173844 /nfs/dbraw/zinc/17/38/44/528173844.db2.gz PJRNGYHLOSZGHA-GXDHUFHOSA-N 0 0 305.378 2.054 40 10 DECBRN CNc1cc([C@H]2CN(c3ccc(OC)cc3)CCO2)nc(C)n1 ZINC000072387800 191145893 /nfs/dbraw/zinc/14/58/93/191145893.db2.gz GSSOZNQUAKNCQM-MRXNPFEDSA-N 0 0 314.389 2.413 40 10 DECBRN CCOC(=O)CN1C(=O)/C(=C/c2cccc(O)c2)SC1=S ZINC000001277111 401705288 /nfs/dbraw/zinc/70/52/88/401705288.db2.gz DCYJGWJEGUHXIB-XFFZJAGNSA-N 0 0 323.395 2.157 40 10 DECBRN CN1C(=O)/C(=C/c2ccc(C(=O)NC3CC3)cc2)SC1=S ZINC000005374687 277005329 /nfs/dbraw/zinc/00/53/29/277005329.db2.gz LFJQIGWFMBTIGS-WQLSENKSSA-N 0 0 318.423 2.410 40 10 DECBRN CC[C@@H](C)N1C(=O)C(=CNNc2ccccc2)C(=O)NC1=S ZINC000038182606 1078219916 /nfs/dbraw/zinc/21/99/16/1078219916.db2.gz QPQYPPBJTAAHTE-WJEYQPDNSA-N 0 0 318.402 2.369 40 10 DECBRN CCCCN1C(=O)C(=CNN2CCCCCC2)C(=O)NC1=S ZINC000038181909 1078220085 /nfs/dbraw/zinc/22/00/85/1078220085.db2.gz IEHASQOGVMMVAV-QXMHVHEDSA-N 0 0 324.450 2.135 40 10 DECBRN Cc1cc(N2CCCC2)c(F)cc1/C=C1/NC(=S)NC1=O ZINC000033704191 354159628 /nfs/dbraw/zinc/15/96/28/354159628.db2.gz YFNYSQAMWJFVCH-XYOKQWHBSA-N 0 0 305.378 2.080 40 10 DECBRN O=C1[N-]C(=O)C(=Cc2ccccc2OCc2ccccc2)C(=O)N1 ZINC000059514535 402104298 /nfs/dbraw/zinc/10/42/98/402104298.db2.gz GEPFYWDDNSFESR-UHFFFAOYSA-N 0 0 322.320 2.015 40 10 DECBRN CCOc1ccccc1/C=C1\C(=O)N(C)C(C)=C1C(=O)OC ZINC000408895808 227247002 /nfs/dbraw/zinc/24/70/02/227247002.db2.gz VVKCBMDVOVREAH-RAXLEYEMSA-N 0 0 301.342 2.388 40 10 DECBRN CNc1cc([C@@H]2CN(c3ccc(OC)cc3)CCO2)nc(C)n1 ZINC000072387799 191146696 /nfs/dbraw/zinc/14/66/96/191146696.db2.gz GSSOZNQUAKNCQM-INIZCTEOSA-N 0 0 314.389 2.413 40 10 DECBRN Nc1ccc(/N=N/c2ccc(N(CCO)CCO)cc2)cc1 ZINC000004520979 181119671 /nfs/dbraw/zinc/11/96/71/181119671.db2.gz NZKTVPCPQIEVQT-VHEBQXMUSA-N 0 0 300.362 2.475 40 10 DECBRN COc1cc(/C=C2/SC(=S)N(C)C2=O)ccc1OC(C)=O ZINC000409353033 533473229 /nfs/dbraw/zinc/47/32/29/533473229.db2.gz ZZPRFWTZSJTSDZ-KPKJPENVSA-N 0 0 323.395 2.452 40 10 DECBRN COC(=O)CN1C(=O)/C(=C/c2ccc(C)s2)SC1=S ZINC000409199909 533500026 /nfs/dbraw/zinc/50/00/26/533500026.db2.gz FOPXPEQNIJKNIY-UITAMQMPSA-N 0 0 313.425 2.431 40 10 DECBRN CC(=O)O[C@@]12C=C[C@](OC(C)=O)(CCc3ccc(o3)CC1)O2 ZINC000006761528 278221567 /nfs/dbraw/zinc/22/15/67/278221567.db2.gz GXKCEGADIFAOCH-HOTGVXAUSA-N 0 0 306.314 2.264 40 10 DECBRN CC(=O)N1C(=O)/C(=C\c2cccc([N+](=O)[O-])c2)SC1=S ZINC000408719773 526508395 /nfs/dbraw/zinc/50/83/95/526508395.db2.gz RIUCDFCRXKMXJU-UXBLZVDNSA-N 0 0 308.340 2.343 40 10 DECBRN CCCCCOc1ccc(C=C2C(=O)NC(=S)NC2=O)cc1 ZINC000408737377 528236406 /nfs/dbraw/zinc/23/64/06/528236406.db2.gz NFEZEWVWAUOREH-UHFFFAOYSA-N 0 0 318.398 2.170 40 10 DECBRN CC[C@H](C)Oc1ccccc1C=C1C(=O)N(C)C(=O)N(C)C1=O ZINC000408602960 529197410 /nfs/dbraw/zinc/19/74/10/529197410.db2.gz PGYWUKPINWNUJN-NSHDSACASA-N 0 0 316.357 2.298 40 10 DECBRN CCN1C(=O)C(=C2C=C(C)N(CCO)C(C)=C2)SC1=S ZINC000584906216 357332235 /nfs/dbraw/zinc/33/22/35/357332235.db2.gz CZZOJPYUYBGCCB-UHFFFAOYSA-N 0 0 310.444 2.236 40 10 DECBRN CC(C)(C)OC(=O)N1CCN(c2ccc3c(c2)OCO3)CC1 ZINC000072220858 257124026 /nfs/dbraw/zinc/12/40/26/257124026.db2.gz RCVBLTREIOKTLM-UHFFFAOYSA-N 0 0 306.362 2.472 40 10 DECBRN CN1C(=O)/C(=C/c2cc3ccccc3n(C)c2=O)SC1=S ZINC000036625740 401906135 /nfs/dbraw/zinc/90/61/35/401906135.db2.gz VNDIZYAIAZVQER-WQLSENKSSA-N 0 0 316.407 2.370 40 10 DECBRN CCOc1ccc(/C=C2\C(=O)N(C)C(C)=C2C(=O)OC)cc1 ZINC000408978414 528369037 /nfs/dbraw/zinc/36/90/37/528369037.db2.gz ZOXFPIHPQHNHNG-UVTDQMKNSA-N 0 0 301.342 2.388 40 10 DECBRN COc1ccc2nc(/N=N/c3c(N)nc(N)nc3N)sc2c1 ZINC000017426709 190644099 /nfs/dbraw/zinc/64/40/99/190644099.db2.gz RFBOHYDWXBWMSO-FMQUCBEESA-N 0 0 316.350 2.257 40 10 DECBRN COc1cc(C(=O)C(=O)c2ccc(O)c(OC)c2)ccc1O ZINC000001747299 401710573 /nfs/dbraw/zinc/71/05/73/401710573.db2.gz MJHMXBDRUWSJOS-UHFFFAOYSA-N 0 0 302.282 2.181 40 10 DECBRN CC(C)Oc1ccccc1C=C1C(=O)N(C)C(=S)N(C)C1=O ZINC000408905375 277703082 /nfs/dbraw/zinc/70/30/82/277703082.db2.gz XZZLURWUUYHUMN-UHFFFAOYSA-N 0 0 318.398 2.073 40 10 DECBRN CS(C)(=O)=Nc1cccc2c1C(=O)c1cccc(N)c1C2=O ZINC000034592556 278121622 /nfs/dbraw/zinc/12/16/22/278121622.db2.gz BLKZKJRBXGQBDZ-UHFFFAOYSA-N 0 0 314.366 2.403 40 10 DECBRN CCN1C(=O)C(=Cc2ccc(OC)cc2)C(=O)N(CC)C1=S ZINC000006438620 181341540 /nfs/dbraw/zinc/34/15/40/181341540.db2.gz IWUQJRLXDAEWOS-UHFFFAOYSA-N 0 0 318.398 2.074 40 10 DECBRN CC(=O)N[C@H](c1cccc([N+](=O)[O-])c1)c1cc(O)ccc1O ZINC000044138091 183396472 /nfs/dbraw/zinc/39/64/72/183396472.db2.gz YGABYCBGSWKPQT-OAHLLOKOSA-N 0 0 302.286 2.232 40 10 DECBRN O=C1NC(=S)NC(=O)C1=Cc1ccc(-c2ccccc2)cc1 ZINC000006575888 284867965 /nfs/dbraw/zinc/86/79/65/284867965.db2.gz WCHLHTXYKWJEJW-UHFFFAOYSA-N 0 0 308.362 2.268 40 10 DECBRN Cc1ccc(-c2ccc(C=C3C(=O)[N-]C(=O)NC3=O)o2)cc1C ZINC000059639459 402104227 /nfs/dbraw/zinc/10/42/27/402104227.db2.gz BKBSDPFVUBHQKY-UHFFFAOYSA-N 0 0 310.309 2.313 40 10 DECBRN COc1ccc(CCNC(=O)Cc2ccc(N)cc2)cc1OC ZINC000020185701 190645597 /nfs/dbraw/zinc/64/55/97/190645597.db2.gz UVJKYXCWYPUIKB-UHFFFAOYSA-N 0 0 314.385 2.187 40 10 DECBRN CCN1C(=O)/C(=C\c2cccc(OC)c2O)C(C(=O)OC)=C1C ZINC000059435699 184138611 /nfs/dbraw/zinc/13/86/11/184138611.db2.gz VOSRMAFKIPVECK-XFXZXTDPSA-N 0 0 317.341 2.093 40 10 DECBRN COc1ccc2nc(N=Nc3c(N)nc(N)[nH]c3=O)sc2c1 ZINC000104090948 402197598 /nfs/dbraw/zinc/19/75/98/402197598.db2.gz XGIOVDHEOFGYLS-HNENSFHCSA-N 0 0 317.334 2.380 40 10 DECBRN Nc1ccc(CN(Cc2ccco2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000575419970 406809889 /nfs/dbraw/zinc/80/98/89/406809889.db2.gz BVSUMLOQLZKVHW-HNNXBMFYSA-N 0 0 320.414 2.051 40 10 DECBRN CC(C)COc1ccccc1C=C1C(=O)N(C)C(=O)N(C)C1=O ZINC000408600714 528180943 /nfs/dbraw/zinc/18/09/43/528180943.db2.gz FKJFXZXKPBWDJF-UHFFFAOYSA-N 0 0 316.357 2.155 40 10 DECBRN COc1cccc(N(Cc2ccc(N)cc2)S(C)(=O)=O)c1 ZINC000225403532 402316722 /nfs/dbraw/zinc/31/67/22/402316722.db2.gz VOUMOHDDXHUFTL-UHFFFAOYSA-N 0 0 306.387 2.244 40 10 DECBRN CCCC1=NN(c2ccccc2)C(=O)C1=C(C)NCCCO ZINC000103917698 528066446 /nfs/dbraw/zinc/06/64/46/528066446.db2.gz PLEPOJJUKCBRHT-SSZFMOIBSA-N 0 0 301.390 2.435 40 10 DECBRN COC(=O)c1ccc(C(=O)OC)c(-n2c(C)cc(CO)c2C)c1 ZINC000223716782 402312173 /nfs/dbraw/zinc/31/21/73/402312173.db2.gz BRCUJVTUNJKXOA-UHFFFAOYSA-N 0 0 317.341 2.160 40 10 DECBRN O=C(C1CCC1)N1CCCN(c2ccc3c(c2)OCCO3)CC1 ZINC000072339581 191126444 /nfs/dbraw/zinc/12/64/44/191126444.db2.gz NGFUIFXZNNBQNB-UHFFFAOYSA-N 0 0 316.401 2.297 40 10 DECBRN CC(C)CC(=O)NN1C(=O)/C(=C/c2ccc[nH]2)SC1=S ZINC000005552779 401729950 /nfs/dbraw/zinc/72/99/50/401729950.db2.gz YJMMYMKAGDVQCH-YFHOEESVSA-N 0 0 309.416 2.293 40 10 DECBRN COC(=O)CN1C(=O)/C(=C/c2cccc(F)c2)SC1=S ZINC000001238472 401704705 /nfs/dbraw/zinc/70/47/05/401704705.db2.gz IOBCGILPFWTPKF-POHAHGRESA-N 0 0 311.359 2.200 40 10 DECBRN O=C1NC(=S)S/C1=C/c1ccc(N2CCOCC2)c(F)c1 ZINC000409133509 227249926 /nfs/dbraw/zinc/24/99/26/227249926.db2.gz UIPCDNQGDYPPFJ-XYOKQWHBSA-N 0 0 324.402 2.151 40 10 DECBRN CC1=Nc2ccccc2N2C(=O)C(C(=O)C(F)(F)F)=S=C12 ZINC000409415770 276187144 /nfs/dbraw/zinc/18/71/44/276187144.db2.gz JPYHATDCCHKOML-UHFFFAOYSA-N 0 0 312.272 2.306 40 10 DECBRN CC[N@H+](Cc1cc(Br)ccc1O)[C@H](C)C(=O)[O-] ZINC000236919900 521285934 /nfs/dbraw/zinc/28/59/34/521285934.db2.gz SOXZUBGIGZLBPY-MRVPVSSYSA-N 0 0 302.168 2.450 40 10 DECBRN COc1ccc(NC2(NC(C)=O)C(=O)c3ccccc3C2=O)cc1 ZINC000226297898 201773889 /nfs/dbraw/zinc/77/38/89/201773889.db2.gz AAAHGELPLCUGTH-UHFFFAOYSA-N 0 0 324.336 2.019 40 10 DECBRN CC[C@H](C)NC(=S)N1CCN(c2ccc(OC)cc2)CC1 ZINC000000414807 180781373 /nfs/dbraw/zinc/78/13/73/180781373.db2.gz QUAYFZURLLXOQR-ZDUSSCGKSA-N 0 0 307.463 2.490 40 10 DECBRN COc1ccc(N2CCN(C(=O)c3ccccc3O)CC2)cc1 ZINC000069158127 134813166 /nfs/dbraw/zinc/81/31/66/134813166.db2.gz LKKAUKIOAKKPKI-UHFFFAOYSA-N 0 0 312.369 2.363 40 10 DECBRN CC[C@@H](C)NC(=S)N1CCN(c2ccc(OC)cc2)CC1 ZINC000000414806 401696664 /nfs/dbraw/zinc/69/66/64/401696664.db2.gz QUAYFZURLLXOQR-CYBMUJFWSA-N 0 0 307.463 2.490 40 10 DECBRN COC(=O)C1=C(C)N(C)C(=O)/C1=C\c1ccc(OC)cc1OC ZINC000005465374 181246965 /nfs/dbraw/zinc/24/69/65/181246965.db2.gz ZAHMBSCKHOQENK-JYRVWZFOSA-N 0 0 317.341 2.006 40 10 DECBRN CC1(C)[C@H]2CC[C@]1(C(=O)N1CCc3ccccc3C1)C(=O)C2=O ZINC000100261944 281540345 /nfs/dbraw/zinc/54/03/45/281540345.db2.gz UIEXPJLYCJLADP-IFXJQAMLSA-N 0 0 311.381 2.146 40 10 DECBRN CN(C)c1ccc(C=C2C(=O)OC3(CCCCC3)OC2=O)o1 ZINC000000241964 282288524 /nfs/dbraw/zinc/28/85/24/282288524.db2.gz MSZOEBPCPZYMOF-UHFFFAOYSA-N 0 0 305.330 2.489 40 10 DECBRN CN1C(=O)S/C(=C/c2ccc(N3CCOCC3)c(F)c2)C1=O ZINC000409130040 530046323 /nfs/dbraw/zinc/04/63/23/530046323.db2.gz LSWQPJLHZORBSZ-UKTHLTGXSA-N 0 0 322.361 2.328 40 10 DECBRN CO/C=C1\SC(=S)N(c2ccc(NC(C)=O)cc2)C1=O ZINC000005663562 181269412 /nfs/dbraw/zinc/26/94/12/181269412.db2.gz SAKPORDJRLFASA-XFFZJAGNSA-N 0 0 308.384 2.498 40 10 DECBRN CN1c2ccccc2/C(=C\c2nc3ccccc3c(=O)n2C)C1=O ZINC000033248108 283264511 /nfs/dbraw/zinc/26/45/11/283264511.db2.gz OGIYQUBZUJJKRA-SDNWHVSQSA-N 0 0 317.348 2.451 40 10 DECBRN COC(=O)C1=C(C)N(C(C)C)C(=O)/C1=C\c1ccc(O)cc1 ZINC000408996862 283741290 /nfs/dbraw/zinc/74/12/90/283741290.db2.gz FHLPUENRFVAZSA-ZROIWOOFSA-N 0 0 301.342 2.473 40 10 DECBRN COc1cc(OC)c(NN=C2C(=O)N=C(N)N=C2N)cc1Cl ZINC000104125371 193984704 /nfs/dbraw/zinc/98/47/04/193984704.db2.gz AVOQLKIMZMKCBQ-HNENSFHCSA-N 0 0 324.728 2.433 40 10 DECBRN CN(C)c1ccc2c(c1)CN(C(=O)c1c[nH]cn1)[C@@H]2c1cnco1 ZINC000096086993 402057807 /nfs/dbraw/zinc/05/78/07/402057807.db2.gz PYNDPSHPGVKAOG-INIZCTEOSA-N 0 0 323.356 2.209 40 10 DECBRN Cc1ccc(N2[N-]C(=O)/C(=C\c3ccc(O)cc3O)C2=O)cc1C ZINC000059475175 402104401 /nfs/dbraw/zinc/10/44/01/402104401.db2.gz KXRLRZFUFASHIV-OVCLIPMQSA-N 0 0 324.336 2.176 40 10 DECBRN CC1(C)[C@@H]2CC[C@@]1(C(=O)NCc1ccc(F)cc1)C(=O)C2=O ZINC000100261962 402140625 /nfs/dbraw/zinc/14/06/25/402140625.db2.gz RCPAVDBASIFGAJ-PXAZEXFGSA-N 0 0 303.333 2.016 40 10 DECBRN COCCN1C(=O)/C(=C/c2cc(C)n(C)c2C)SC1=S ZINC000409129861 227248250 /nfs/dbraw/zinc/24/82/50/227248250.db2.gz STITUKGJDXDZMH-WQLSENKSSA-N 0 0 310.444 2.490 40 10 DECBRN COc1ccc(N(Cc2ccc(N)cc2)S(C)(=O)=O)cc1 ZINC000225403462 201701916 /nfs/dbraw/zinc/70/19/16/201701916.db2.gz ATIIACNHIMLILB-UHFFFAOYSA-N 0 0 306.387 2.244 40 10 DECBRN CCCCNC(=S)N1CCN(c2ccc(OC)cc2)CC1 ZINC000004216814 181085579 /nfs/dbraw/zinc/08/55/79/181085579.db2.gz INPKKRXAULOHHI-UHFFFAOYSA-N 0 0 307.463 2.492 40 10 DECBRN O=c1c2ccccc2occ1[C@H]1NCCc2cc(O)c(O)cc21 ZINC000016525183 285213886 /nfs/dbraw/zinc/21/38/86/285213886.db2.gz OTPBUNCWPYWHIS-KRWDZBQOSA-N 0 0 309.321 2.439 40 10 DECBRN CCCOC(=O)CN1C(=O)/C(=C/c2cccnc2)SC1=S ZINC000001809432 401711193 /nfs/dbraw/zinc/71/11/93/401711193.db2.gz WINLMSBTEVTGHA-XFFZJAGNSA-N 0 0 322.411 2.236 40 10 DECBRN COCCN1C(=O)/C(=C\c2cccc(C)c2)C(C(=O)OC)=C1C ZINC000014414403 401811939 /nfs/dbraw/zinc/81/19/39/401811939.db2.gz YFTYQGVVFFAXTG-PTNGSMBKSA-N 0 0 315.369 2.314 40 10 DECBRN COc1cc(NN=C2C(=O)N=C(N)N=C2N)c(OC)cc1Cl ZINC000104125408 402198287 /nfs/dbraw/zinc/19/82/87/402198287.db2.gz OZGLQXRHIBTCJP-VHEBQXMUSA-N 0 0 324.728 2.433 40 10 DECBRN CC1(S(=O)(=O)c2ccccc2)C(=O)c2ccccc2C1=O ZINC000216710091 563924405 /nfs/dbraw/zinc/92/44/05/563924405.db2.gz PLCNMUPYOIFZJO-UHFFFAOYSA-N 0 0 300.335 2.298 40 10 DECBRN CN(C)c1ccc(N=Nc2ccc(S(=O)(=O)NN)cc2)cc1 ZINC000256081139 529783261 /nfs/dbraw/zinc/78/32/61/529783261.db2.gz YSSCSLXHGSTCDV-UHFFFAOYSA-N 0 0 319.390 2.320 40 10 DECBRN O=C(Nc1cc(=O)n(-c2ccccc2)[nH]1)NC1CCCCC1 ZINC000006927529 401734801 /nfs/dbraw/zinc/73/48/01/401734801.db2.gz AIMLPOPOGZQUSX-UHFFFAOYSA-N 0 0 300.362 2.369 40 10 DECBRN COc1ccc(N2CCN(C(=O)c3ccc(N)cc3)CC2)cc1 ZINC000225324179 539730206 /nfs/dbraw/zinc/73/02/06/539730206.db2.gz VCJYJJCREPTUCB-UHFFFAOYSA-N 0 0 311.385 2.240 40 10 DECBRN CCOC(=O)NC(NC(=O)OCC)c1ccc(N(C)C)cc1 ZINC000005736854 181278444 /nfs/dbraw/zinc/27/84/44/181278444.db2.gz FBHWCPDYKDXHCX-UHFFFAOYSA-N 0 0 309.366 2.243 40 10 DECBRN COc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1C ZINC000033700472 354160136 /nfs/dbraw/zinc/16/01/36/354160136.db2.gz QPXZENIUTUBWOT-PTNGSMBKSA-N 0 0 308.337 2.465 40 10 DECBRN CCN(CC)c1ccc(CNC(=O)C(=O)N2CCCCC2)cc1 ZINC000408718408 528299520 /nfs/dbraw/zinc/29/95/20/528299520.db2.gz MMAUQRZYGZNWJC-UHFFFAOYSA-N 0 0 317.433 2.162 40 10 DECBRN CCN1C(=O)C(=Cc2ccccc2F)C(=O)N(CC)C1=S ZINC000006757838 181383798 /nfs/dbraw/zinc/38/37/98/181383798.db2.gz PHSGPHWFXHDIMS-UHFFFAOYSA-N 0 0 306.362 2.205 40 10 DECBRN CCCOC(=O)CN1C(=O)/C(=C/c2ccco2)SC1=S ZINC000001809440 401711009 /nfs/dbraw/zinc/71/10/09/401711009.db2.gz WFRGNDZPESEOGH-YFHOEESVSA-N 0 0 311.384 2.434 40 10 DECBRN CCOc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)ccc1O ZINC000041078435 401927023 /nfs/dbraw/zinc/92/70/23/401927023.db2.gz NRFZDAMXPWXQTI-QRBAAVRYSA-N 0 0 313.313 2.241 40 10 DECBRN O=C1c2ccccc2C(=O)c2c1nc1ccc(Cl)cc1[n+]2[O-] ZINC000085409391 280332145 /nfs/dbraw/zinc/33/21/45/280332145.db2.gz KSKDOPSZMREBRU-UHFFFAOYSA-N 0 0 310.696 2.297 40 10 DECBRN C[C@H]1CN(C2=NC(=O)/C(=C\c3ccncc3)S2)C[C@H](C)O1 ZINC000083332741 300231105 /nfs/dbraw/zinc/23/11/05/300231105.db2.gz LBTGLQQURCGEBX-IMXZGNLGSA-N 0 0 303.387 2.161 40 10 DECBRN COc1ccc(OC)c(C=C2C(=O)OC3(CCCC3)OC2=O)c1 ZINC000005916239 181296052 /nfs/dbraw/zinc/29/60/52/181296052.db2.gz OMASFUFGXJYHTR-UHFFFAOYSA-N 0 0 318.325 2.458 40 10 DECBRN COC(=O)c1ccc(C(=O)OC)c(-n2c(C)cc(C=O)c2C)c1 ZINC000009264027 401760532 /nfs/dbraw/zinc/76/05/32/401760532.db2.gz FYEHNVSPVPKOQF-UHFFFAOYSA-N 0 0 315.325 2.480 40 10 DECBRN CCN1C(=O)C(=Cc2ccc(C)cc2)C(=O)N(CC)C1=S ZINC000005715883 276145731 /nfs/dbraw/zinc/14/57/31/276145731.db2.gz BGROLBHYNKOLNM-UHFFFAOYSA-N 0 0 302.399 2.374 40 10 DECBRN COC(=O)C1=C(C)N(C)C(=O)/C1=C\c1ccc(N(C)C)cc1 ZINC000408896262 533265675 /nfs/dbraw/zinc/26/56/75/533265675.db2.gz XDBWDQLOWOGBNX-UVTDQMKNSA-N 0 0 300.358 2.055 40 10 DECBRN O=C1OC2(CCCC2)OC(=O)C1=C/C=C\c1ccc([N+](=O)[O-])o1 ZINC000005572743 401730155 /nfs/dbraw/zinc/73/01/55/401730155.db2.gz JKHXYYXAKJRYHD-ARJAWSKDSA-N 0 0 319.269 2.498 40 10 DECBRN COc1ccc(N2CCC(O)(Cn3ccnc3C)CC2)cc1 ZINC000012221679 401781947 /nfs/dbraw/zinc/78/19/47/401781947.db2.gz WIUNBYYYTMAZSR-UHFFFAOYSA-N 0 0 301.390 2.232 40 10 DECBRN CCN(CC)c1ccc(CNC(=O)C(=O)NC2CCCC2)cc1 ZINC000283314269 403188836 /nfs/dbraw/zinc/18/88/36/403188836.db2.gz QFSGWVACXYDWKN-UHFFFAOYSA-N 0 0 317.433 2.208 40 10 DECBRN CCN(CC)c1ccc(/C=C2/NC(=O)N(C)C2=O)c(OC)c1 ZINC000409191658 528293426 /nfs/dbraw/zinc/29/34/26/528293426.db2.gz ZVOQPYUBGSUGAR-UKTHLTGXSA-N 0 0 303.362 2.064 40 10 DECBRN CC[C@H](C)N1C(=O)C(=CNNc2ccccc2)C(=O)NC1=S ZINC000038182607 1078219977 /nfs/dbraw/zinc/21/99/77/1078219977.db2.gz QPQYPPBJTAAHTE-JMZICWNOSA-N 0 0 318.402 2.369 40 10 DECBRN Cc1cccc(/C=C2\SC(N3CCN(C)CC3)=NC2=O)c1 ZINC000006867173 401733523 /nfs/dbraw/zinc/73/35/23/401733523.db2.gz JSIDIHHVPDGIMP-KAMYIIQDSA-N 0 0 301.415 2.213 40 10 DECBRN O=C1N/C(=C/c2ccc(O)c(O)c2)C(=O)N1Cc1ccccc1 ZINC000409197662 227251524 /nfs/dbraw/zinc/25/15/24/227251524.db2.gz LOQYOPACEHEMFH-MDWZMJQESA-N 0 0 310.309 2.191 40 10 DECBRN CCCCCOc1ccccc1C=C1C(=O)NC(=S)NC1=O ZINC000408737423 528237509 /nfs/dbraw/zinc/23/75/09/528237509.db2.gz PTOGXAYIJJBIFI-UHFFFAOYSA-N 0 0 318.398 2.170 40 10 DECBRN COC(=O)c1cccc(NC(=S)NCc2ccccn2)c1 ZINC000225329913 539730095 /nfs/dbraw/zinc/73/00/95/539730095.db2.gz ASYFVXNYJDCNDT-UHFFFAOYSA-N 0 0 301.371 2.355 40 10 DECBRN CC(=O)N1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S ZINC000005291173 181227199 /nfs/dbraw/zinc/22/71/99/181227199.db2.gz WSSWKRIWZCKGDT-VZUCSPMQSA-N 0 0 307.352 2.163 40 10 DECBRN CC(=O)Nc1cccc2c1C(=O)c1cccc(NC(C)=O)c1C2=O ZINC000004714318 401726924 /nfs/dbraw/zinc/72/69/24/401726924.db2.gz FKRYJILJIVPKTR-UHFFFAOYSA-N 0 0 322.320 2.379 40 10 DECBRN CCCc1c(O)n2c3cc(C)ccc3nc(N(C)C)n2c1=O ZINC000002019585 276046563 /nfs/dbraw/zinc/04/65/63/276046563.db2.gz MPHPHYZQRGLTBO-NSHDSACASA-N 0 0 300.362 2.064 40 10 world DECBRN Cc1ccc(C)n1-c1cccc(C(=O)N2CCn3cnnc3C2)c1 ZINC000072346439 191127839 /nfs/dbraw/zinc/12/78/39/191127839.db2.gz PKQVHLUSNHIZPZ-UHFFFAOYSA-N 0 0 321.384 2.342 40 10 DECBRN CO/C=C1/SC(=S)N(c2ccc(NC(C)=O)cc2)C1=O ZINC000017125963 182076293 /nfs/dbraw/zinc/07/62/93/182076293.db2.gz SAKPORDJRLFASA-YRNVUSSQSA-N 0 0 308.384 2.498 40 10 DECBRN CCCCC(=O)NN1C(=O)/C(=C/c2ccc[nH]2)SC1=S ZINC000005552777 401729994 /nfs/dbraw/zinc/72/99/94/401729994.db2.gz ALFTXUDZNRTSHG-NTMALXAHSA-N 0 0 309.416 2.437 40 10 DECBRN CN1C(=O)C(=Cc2c(F)cccc2Cl)C(=O)N(C)C1=S ZINC000059139326 402104110 /nfs/dbraw/zinc/10/41/10/402104110.db2.gz CZRATZAZPAFIEM-UHFFFAOYSA-N 0 0 312.753 2.078 40 10 DECBRN COCCCN1C(=O)/C(=C\c2ccccc2)C(C(=O)OC)=C1C ZINC000408976747 227250008 /nfs/dbraw/zinc/25/00/08/227250008.db2.gz RYJLLPYRIDROIT-QINSGFPZSA-N 0 0 315.369 2.396 40 10 DECBRN COc1ccc(N2CCN(C(=O)c3cccc(N)c3)CC2)cc1 ZINC000193080116 424867430 /nfs/dbraw/zinc/86/74/30/424867430.db2.gz DYOLQNMWSTWDID-UHFFFAOYSA-N 0 0 311.385 2.240 40 10 DECBRN CCOc1cc(/C=C2\SC(NC(C)=O)=NC2=O)ccc1OC ZINC000408761973 528197800 /nfs/dbraw/zinc/19/78/00/528197800.db2.gz IVXSLAWFSJGNGN-JYRVWZFOSA-N 0 0 320.370 2.200 40 10 DECBRN NC(=O)NCc1cc(Br)cc(Br)c1O ZINC000001729538 401710680 /nfs/dbraw/zinc/71/06/80/401710680.db2.gz BOAZRFJRXMQOES-UHFFFAOYSA-N 0 0 323.972 2.086 40 10 DECBRN CC(C)OC(=O)CN1C(=O)/C(=C/c2cccnc2)SC1=S ZINC000001276875 180852658 /nfs/dbraw/zinc/85/26/58/180852658.db2.gz FGOQWACTGVHVNC-WDZFZDKYSA-N 0 0 322.411 2.234 40 10 DECBRN Cc1ccc(N2NC(=O)/C(=C\c3ccccc3O)C2=O)cc1C ZINC000000437488 401698325 /nfs/dbraw/zinc/69/83/25/401698325.db2.gz GFENLIQQGWVUGL-XNTDXEJSSA-N 0 0 308.337 2.470 40 10 DECBRN CCOC(=O)COc1ccc(C=C2SC(=S)NC2=O)cc1 ZINC000012413397 401785014 /nfs/dbraw/zinc/78/50/14/401785014.db2.gz AXISFPMXIQSBTO-XFFZJAGNSA-N 0 0 323.395 2.117 40 10 DECBRN Cc1nn(-c2ccc([N+](=O)[O-])cc2)c2c1C(=O)C(=O)C(C)(C)C2 ZINC000003102244 282241622 /nfs/dbraw/zinc/24/16/22/282241622.db2.gz RGYUKGVDXVOQDH-UHFFFAOYSA-N 0 0 313.313 2.423 40 10 DECBRN COc1cccc([C@H]2NCCc3cc(O)c(O)cc32)c1OC ZINC000003703467 401724692 /nfs/dbraw/zinc/72/46/92/401724692.db2.gz GWNMBOJDROASRW-MRXNPFEDSA-N 0 0 301.342 2.350 40 10 DECBRN Cc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c(C)n1C(C)C ZINC000408967064 534143185 /nfs/dbraw/zinc/14/31/85/534143185.db2.gz RZCQXROOGSZOOS-UHFFFAOYSA-N 0 0 319.430 2.285 40 10 DECBRN CCN1C(=O)/C(=C/c2ccc(Cl)s2)C(=O)NC1=S ZINC000409393699 528943337 /nfs/dbraw/zinc/94/33/37/528943337.db2.gz ZCNJDKQJHZCWOJ-FNORWQNLSA-N 0 0 300.792 2.048 40 10 DECBRN O=C1c2ccccc2C(=O)c2c(O)c3c(c(O)c21)CCC[C@@H]3O ZINC000004995536 285022634 /nfs/dbraw/zinc/02/26/34/285022634.db2.gz NVNRWHHTJDJRHF-NSHDSACASA-N 0 0 310.305 2.243 40 10 DECBRN CC1(C)[C@@]2(C)CC[C@]1(C(=O)NCc1ccc(F)cc1)C(=O)C2=O ZINC000028580589 401852545 /nfs/dbraw/zinc/85/25/45/401852545.db2.gz DZULUWDRKKFMHB-ZWKOTPCHSA-N 0 0 317.360 2.406 40 10 DECBRN Nc1ccc(CN(c2ccccc2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000575421255 406809653 /nfs/dbraw/zinc/80/96/53/406809653.db2.gz NZKVOHBAHPACNC-KRWDZBQOSA-N 0 0 316.426 2.463 40 10 DECBRN CCN1C(=O)/C(=C\c2cccc(OC)c2)C(C(=O)OC)=C1C ZINC000059435694 184138677 /nfs/dbraw/zinc/13/86/77/184138677.db2.gz MZIFCVATPNCFFB-UVTDQMKNSA-N 0 0 301.342 2.388 40 10 DECBRN CN1CCN(C2=NC(=O)/C(=C\C=C/c3ccccc3)S2)CC1 ZINC000013633080 277103807 /nfs/dbraw/zinc/10/38/07/277103807.db2.gz GZAHMUZEGYENCQ-HAVFLYGMSA-N 0 0 313.426 2.461 40 10 DECBRN Nc1ccc(N2CCN(C(=O)C(Cl)(Cl)Cl)CC2)cc1 ZINC000070461921 190899248 /nfs/dbraw/zinc/89/92/48/190899248.db2.gz MJDMTAHDPNDXAB-UHFFFAOYSA-N 0 0 322.623 2.288 40 10 DECBRN CC(=O)Nc1ccc(NC=C2SC(=S)N(C)C2=O)cc1 ZINC000618255317 363433424 /nfs/dbraw/zinc/43/34/24/363433424.db2.gz WXTRPRGQRVRYHN-XFFZJAGNSA-N 0 0 307.400 2.388 40 10 DECBRN CCOC(=O)[C@@H]1Nc2c(C(=O)OC)cccc2[C@@H]2C=CC[C@@H]21 ZINC000058850733 402103074 /nfs/dbraw/zinc/10/30/74/402103074.db2.gz JZORPBWRAZUARM-ITDIGPHOSA-N 0 0 301.342 2.490 40 10 DECBRN CCN(CC)c1ccc(CNC(=O)C(=O)NCC(C)(C)C)cc1 ZINC000408718267 528298615 /nfs/dbraw/zinc/29/86/15/528298615.db2.gz GYLFMCALEKPQOJ-UHFFFAOYSA-N 0 0 319.449 2.311 40 10 DECBRN CCOc1ccc(/C=C2\SC(NC(C)=O)=NC2=O)cc1OC ZINC000408756927 528370791 /nfs/dbraw/zinc/37/07/91/528370791.db2.gz YIKYQWUELWJOLT-JYRVWZFOSA-N 0 0 320.370 2.200 40 10 DECBRN Cc1ccc(N2C(=O)C(=CNCCCO)SC2=S)cc1 ZINC000618254490 363433230 /nfs/dbraw/zinc/43/32/30/363433230.db2.gz DDRNUODJCKDGEM-XFXZXTDPSA-N 0 0 308.428 2.173 40 10 DECBRN CCOc1cccc(/C=C2\C(=O)N(C)C(C)=C2C(=O)OC)c1O ZINC000014406531 401811977 /nfs/dbraw/zinc/81/19/77/401811977.db2.gz YFMIJYMJXPYUMU-XFXZXTDPSA-N 0 0 317.341 2.093 40 10 DECBRN CC(C)Oc1ccc(C=C2C(=O)NC(=S)NC2=O)cc1Cl ZINC000408875735 528146766 /nfs/dbraw/zinc/14/67/66/528146766.db2.gz KJVPPZVMWPZQKC-UHFFFAOYSA-N 0 0 324.789 2.042 40 10 DECBRN O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(O)cc2)ccc1F ZINC000020024726 182180511 /nfs/dbraw/zinc/18/05/11/182180511.db2.gz PQTMIJBPKVEXRI-UHFFFAOYSA-N 0 0 312.278 2.240 40 10 DECBRN COC1(NC(=O)c2cccc(C)c2)C(=O)c2ccccc2C1=O ZINC000226297923 402326649 /nfs/dbraw/zinc/32/66/49/402326649.db2.gz DTHSEZUZQXQLJD-UHFFFAOYSA-N 0 0 309.321 2.147 40 10 DECBRN O=C1C(=CNc2nc[nH]n2)SC(=S)N1c1ccccc1 ZINC000618255346 422523940 /nfs/dbraw/zinc/52/39/40/422523940.db2.gz YOCFXYWZZGSXLZ-TWGQIWQCSA-N 0 0 303.372 2.123 40 10 DECBRN CN1C(=O)C(=CNc2ccc3ccccc3c2)C(=O)N(C)C1=O ZINC000123780652 530039890 /nfs/dbraw/zinc/03/98/90/530039890.db2.gz KOWXYMKEWBPQOP-UHFFFAOYSA-N 0 0 309.325 2.186 40 10 DECBRN S=C(NCc1ccccn1)Nc1ccc2c(c1)OCCO2 ZINC000017449850 401820804 /nfs/dbraw/zinc/82/08/04/401820804.db2.gz VBAOQOHELXLKRL-UHFFFAOYSA-N 0 0 301.371 2.339 40 10 DECBRN N=C1/C(=C/c2ccco2)C(=O)N=C2SC(C(F)(F)F)=NN21 ZINC000000507644 295023352 /nfs/dbraw/zinc/02/33/52/295023352.db2.gz HGRXOGALGDRSAM-JYXXCXAHSA-N 0 0 314.248 2.461 40 10 DECBRN O=C1N=C(NCCCO)SC1=Cc1c[nH]c2ccccc12 ZINC000256055292 333802613 /nfs/dbraw/zinc/80/26/13/333802613.db2.gz AWZUDHDXSIOWLA-JYRVWZFOSA-N 0 0 301.371 2.110 40 10 DECBRN Cn1c(=O)cc2c3c1ccc(NCCO)c3C(=O)c1ccccc1-2 ZINC000001803022 539326836 /nfs/dbraw/zinc/32/68/36/539326836.db2.gz ZVCXJUSEEODMTI-UHFFFAOYSA-N 0 0 320.348 2.154 40 10 DECBRN CNC(=O)N[C@H](c1ccc(F)cc1)c1cc2c(cc1O)OCO2 ZINC000001587925 180876239 /nfs/dbraw/zinc/87/62/39/180876239.db2.gz RMLIHUMSCWMAFD-OAHLLOKOSA-N 0 0 318.304 2.278 40 10 DECBRN CCN1CCN(C2=NC(=O)/C(=C\c3cccc(O)c3)S2)CC1 ZINC000033320411 401890398 /nfs/dbraw/zinc/89/03/98/401890398.db2.gz QOOMGBURMIJYSP-SDNWHVSQSA-N 0 0 317.414 2.000 40 10 DECBRN COc1ccc2nc(/N=N\c3c(N)nc(N)nc3N)sc2c1 ZINC000104091019 402197636 /nfs/dbraw/zinc/19/76/36/402197636.db2.gz RFBOHYDWXBWMSO-VXPUYCOJSA-N 0 0 316.350 2.257 40 10 DECBRN CCCCCc1[nH]nc(C(=O)OC)c1N=NN1CCOCC1 ZINC000104119093 402198369 /nfs/dbraw/zinc/19/83/69/402198369.db2.gz AAKAOEQFXCFXKB-ISLYRVAYSA-N 0 0 309.370 2.260 40 10 DECBRN CN1C(=O)/C(=C/c2cccc([N+](=O)[O-])c2)C(=O)N1c1ccccc1 ZINC000005006739 181190156 /nfs/dbraw/zinc/19/01/56/181190156.db2.gz YJXRDKFPNGFOFB-PTNGSMBKSA-N 0 0 323.308 2.398 40 10 DECBRN CC(=O)NN1C(=O)/C(=C/c2c[nH]c3ccccc23)SC1=S ZINC000005453606 181245476 /nfs/dbraw/zinc/24/54/76/181245476.db2.gz FJQUAEKFHBBMCW-SDQBBNPISA-N 0 0 317.395 2.420 40 10 DECBRN COC(=O)c1cc2c(cc1C(=O)OC)C(=O)c1ccccc1C2=O ZINC000005809519 181285488 /nfs/dbraw/zinc/28/54/88/181285488.db2.gz CAETZBDNCHXMNP-UHFFFAOYSA-N 0 0 324.288 2.035 40 10 DECBRN CCN1C(=O)/C(=C\c2ccccc2[N+](=O)[O-])C(C(=O)OC)=C1C ZINC000032109272 401876146 /nfs/dbraw/zinc/87/61/46/401876146.db2.gz GZGJLLWNFIBCAN-XFXZXTDPSA-N 0 0 316.313 2.287 40 10 DECBRN CC(C)COc1ccc(C=C2C(=O)N(C)C(=O)N(C)C2=O)cc1 ZINC000068933186 402209563 /nfs/dbraw/zinc/20/95/63/402209563.db2.gz OXLQIFOZYWNZFZ-UHFFFAOYSA-N 0 0 316.357 2.155 40 10 DECBRN CC[C@H](C)N1C(=O)C(=CNN2CCCCCC2)C(=O)NC1=S ZINC000038179479 1078219263 /nfs/dbraw/zinc/21/92/63/1078219263.db2.gz CYDOMTUFKOSRSB-NIANNCQZSA-N 0 0 324.450 2.133 40 10 DECBRN COc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(C)c1 ZINC000034702717 354162026 /nfs/dbraw/zinc/16/20/26/354162026.db2.gz YPMXBQJIOVAZSM-WJDWOHSUSA-N 0 0 308.337 2.465 40 10 DECBRN COC(=O)C1=C(C)N(C)C(=O)/C1=C\c1cccc(OC)c1OC ZINC000408724358 533265723 /nfs/dbraw/zinc/26/57/23/533265723.db2.gz CRMZKLMNEVNHKJ-XFXZXTDPSA-N 0 0 317.341 2.006 40 10 DECBRN O=C1NC(=S)NC(=O)C1=Cc1cc([N+](=O)[O-])ccc1Cl ZINC000003208042 401722585 /nfs/dbraw/zinc/72/25/85/401722585.db2.gz INYPCGOXDHHUPG-UHFFFAOYSA-N 0 0 311.706 2.003 40 10 DECBRN COc1ccc2c(c1)CCCN2CC(=O)Nc1cn(C)nc1C ZINC000019658842 401823175 /nfs/dbraw/zinc/82/31/75/401823175.db2.gz XZHNVCPYAGKLJE-UHFFFAOYSA-N 0 0 314.389 2.128 40 10 DECBRN CC1(C)[C@H]2CC[C@]1(C(=O)NCc1ccc(F)cc1)C(=O)C2=O ZINC000100261957 402140684 /nfs/dbraw/zinc/14/06/84/402140684.db2.gz RCPAVDBASIFGAJ-YVEFUNNKSA-N 0 0 303.333 2.016 40 10 DECBRN CNC(=O)/C(=C\c1ccc(N(C)C)cc1)NC(=O)c1ccccc1 ZINC000004601159 181129132 /nfs/dbraw/zinc/12/91/32/181129132.db2.gz MIJILFNTGRHNCB-GHRIWEEISA-N 0 0 323.396 2.270 40 10 DECBRN CNc1nc(Nc2cc(Cl)ccc2O)cc(C(F)(F)F)n1 ZINC000328996597 404195313 /nfs/dbraw/zinc/19/53/13/404195313.db2.gz JKKKDMVCLUKWBZ-UHFFFAOYSA-N 0 0 318.686 2.484 40 10 DECBRN O=C1NC(=S)NC(=O)C1=Cc1cccc(Oc2ccccc2)c1 ZINC000059502965 184138792 /nfs/dbraw/zinc/13/87/92/184138792.db2.gz WWBVIEPDCLNTBS-UHFFFAOYSA-N 0 0 324.361 2.393 40 10 DECBRN O=C1c2c(O)ccc(O)c2C(=O)c2c(F)c(F)c(F)c(F)c21 ZINC000004974078 285013760 /nfs/dbraw/zinc/01/37/60/285013760.db2.gz PKJLMPNJHMHOIE-UHFFFAOYSA-N 0 0 312.174 2.430 40 10 DECBRN CC(=O)Oc1cccc(C=C2C(=O)OC3(CCCC3)OC2=O)c1 ZINC000058866179 402103206 /nfs/dbraw/zinc/10/32/06/402103206.db2.gz JUFYPQLVBHYWPG-UHFFFAOYSA-N 0 0 316.309 2.366 40 10 DECBRN CCCc1c(O)n2c3cc(C)ccc3nc(N(C)C)n2c1=O ZINC000000005349 276026861 /nfs/dbraw/zinc/02/68/61/276026861.db2.gz MPHPHYZQRGLTBO-LLVKDONJSA-N 0 0 300.362 2.064 40 10 world DECBRN CN1C(=O)/C(=C/c2ccc(N3CCOCC3)cc2)SC1=S ZINC000193405423 530039774 /nfs/dbraw/zinc/03/97/74/530039774.db2.gz SVLZKNWRRVMEAX-RAXLEYEMSA-N 0 0 320.439 2.354 40 10 DECBRN COc1ccc(N2CCN(C(=O)C(C)(C)C)CC2)c([N+](=O)[O-])c1 ZINC000006186684 353995336 /nfs/dbraw/zinc/99/53/36/353995336.db2.gz GTHZODBBOZTOMC-UHFFFAOYSA-N 0 0 321.377 2.298 40 10 DECBRN COCCN1C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)SC1=S ZINC000009189386 181606194 /nfs/dbraw/zinc/60/61/94/181606194.db2.gz GZZNJWWRPUTLEY-FLIBITNWSA-N 0 0 324.383 2.442 40 10 DECBRN COc1cc(OC)c(NN=C2C(=O)N=C(N)N=C2N)cc1Cl ZINC000016952177 182065786 /nfs/dbraw/zinc/06/57/86/182065786.db2.gz AVOQLKIMZMKCBQ-VHEBQXMUSA-N 0 0 324.728 2.433 40 10 DECBRN COc1cc(N2CCCCC2)ccc1/C=C1/NC(=S)NC1=O ZINC000409241499 532954678 /nfs/dbraw/zinc/95/46/78/532954678.db2.gz XXRCLQTUQBTKFJ-UKTHLTGXSA-N 0 0 317.414 2.031 40 10 DECBRN COc1ccc2cc3n(cc-2c1=O)CCc1cc(O)c(O)cc1-3 ZINC000685936001 542767845 /nfs/dbraw/zinc/76/78/45/542767845.db2.gz AWADIQNNYPZANL-UHFFFAOYSA-O 0 0 310.329 2.476 40 10 DECBRN CC(=O)N1C(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)SC1=S ZINC000005291166 401729573 /nfs/dbraw/zinc/72/95/73/401729573.db2.gz IBRYIIBNUORDJX-UXBLZVDNSA-N 0 0 308.340 2.343 40 10 DECBRN COc1ccc(C(=O)C(=O)c2ccc(O)c(OC)c2)cc1OC ZINC000001595860 401709021 /nfs/dbraw/zinc/70/90/21/401709021.db2.gz UKAOQGQKJJRFOX-UHFFFAOYSA-N 0 0 316.309 2.484 40 10 DECBRN CC[N@H+](Cc1cc(Br)ccc1O)[C@@H](C)C(=O)[O-] ZINC000236919874 521285980 /nfs/dbraw/zinc/28/59/80/521285980.db2.gz SOXZUBGIGZLBPY-QMMMGPOBSA-N 0 0 302.168 2.450 40 10 DECBRN CC[C@@H](C)Oc1ccccc1C=C1C(=O)N(C)C(=O)N(C)C1=O ZINC000408602957 529387580 /nfs/dbraw/zinc/38/75/80/529387580.db2.gz PGYWUKPINWNUJN-LLVKDONJSA-N 0 0 316.357 2.298 40 10 DECBRN COc1cc(NN=C2C(=O)N=C(N)N=C2N)c(OC)cc1Cl ZINC000017885623 182086874 /nfs/dbraw/zinc/08/68/74/182086874.db2.gz OZGLQXRHIBTCJP-HNENSFHCSA-N 0 0 324.728 2.433 40 10 DECBRN O=C(NN1C(=O)CSC1=S)c1cccc(C(F)(F)F)c1 ZINC000036611942 182827634 /nfs/dbraw/zinc/82/76/34/182827634.db2.gz GBQSCAHZADGHRJ-UHFFFAOYSA-N 0 0 320.317 2.211 40 10 DECBRN CC(=O)N[C@@H](c1cccc([N+](=O)[O-])c1)c1cc(O)ccc1O ZINC000044138089 183396432 /nfs/dbraw/zinc/39/64/32/183396432.db2.gz YGABYCBGSWKPQT-HNNXBMFYSA-N 0 0 302.286 2.232 40 10 DECBRN Cc1cc(CN(C)Cc2ccc(N3CCOCC3)c(F)c2)[nH]n1 ZINC000019658377 401822818 /nfs/dbraw/zinc/82/28/18/401822818.db2.gz ZBFQIEIRVGYGBG-UHFFFAOYSA-N 0 0 318.396 2.326 40 10 DECBRN Cc1cc(/C=C2\NC(=S)NC2=O)c(C)n1-c1ccc(C)cn1 ZINC000015012665 401815097 /nfs/dbraw/zinc/81/50/97/401815097.db2.gz VPWQQKFHUAVYDM-QPEQYQDCSA-N 0 0 312.398 2.143 40 10 DECBRN O=C1NC(=S)NC(=O)C1=CC=CCc1ccc2ccccc2n1 ZINC000005338555 181231800 /nfs/dbraw/zinc/23/18/00/181231800.db2.gz FPILZTINLSWJBP-OBBGFGQDSA-N 0 0 323.377 2.023 40 10 DECBRN COC(=O)CN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S ZINC000001205279 283829399 /nfs/dbraw/zinc/82/93/99/283829399.db2.gz XHCFTTPOODTGGE-POHAHGRESA-N 0 0 311.359 2.200 40 10 DECBRN COC(=O)/C=C1/SC(c2nc3ccccc3nc2C)=NC1=O ZINC000016265141 182038816 /nfs/dbraw/zinc/03/88/16/182038816.db2.gz DYTIOYVMJJCPKB-YRNVUSSQSA-N 0 0 313.338 2.015 40 10 DECBRN CC(C)c1ccc(NC=C2C(=O)N(C)C(=S)N(C)C2=O)cc1 ZINC000005836371 401731063 /nfs/dbraw/zinc/73/10/63/401731063.db2.gz FVKNKWAISPHEDQ-UHFFFAOYSA-N 0 0 317.414 2.321 40 10 DECBRN COc1ccc([C@@H]2NCCc3cc(O)c(O)cc32)c(OC)c1 ZINC000004724923 286364859 /nfs/dbraw/zinc/36/48/59/286364859.db2.gz UQDIDFQFKYQBNN-KRWDZBQOSA-N 0 0 301.342 2.350 40 10 DECBRN COc1ccc2nc(N=Nc3c(N)nc(N)[nH]c3=O)sc2c1 ZINC000018059242 182091420 /nfs/dbraw/zinc/09/14/20/182091420.db2.gz XGIOVDHEOFGYLS-VHEBQXMUSA-N 0 0 317.334 2.380 40 10 DECBRN CCCCC(=O)NN1C(=O)/C(=C/c2cccn2C)SC1=S ZINC000005552645 401730050 /nfs/dbraw/zinc/73/00/50/401730050.db2.gz CLBXAZWUZBIFGE-LUAWRHEFSA-N 0 0 323.443 2.448 40 10 DECBRN O=C([O-])[C@@H]1Cc2c3ccccc3[nH]c2[C@H](c2ccc(O)cc2O)[NH2+]1 ZINC000003019201 280071368 /nfs/dbraw/zinc/07/13/68/280071368.db2.gz ARALPLKQENYHNR-HOCLYGCPSA-N 0 0 324.336 2.267 40 10 DECBRN NC=C1C(=O)N(c2ccccc2)C(=O)N(c2ccccc2)C1=O ZINC000005104482 295216091 /nfs/dbraw/zinc/21/60/91/295216091.db2.gz XPYMAWRYKVSVRC-UHFFFAOYSA-N 0 0 307.309 2.029 40 10 DECBRN O=C1C(O)c2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1 ZINC001560407559 1075139903 /nfs/dbraw/zinc/13/99/03/1075139903.db2.gz QVBGIXAYDAMHJX-OAHLLOKOSA-N 0 0 303.246 2.300 40 10 DECBRN CN(C)C(=O)c1ccc(NC(=S)NCc2ccccn2)cc1 ZINC000225330787 539730021 /nfs/dbraw/zinc/73/00/21/539730021.db2.gz LKMRDDRLYFMMFQ-UHFFFAOYSA-N 0 0 314.414 2.270 40 10 DECBRN COc1cc(N2CCCCC2)ccc1/C=C1/NC(=O)N(C)C1=O ZINC000409190042 532954582 /nfs/dbraw/zinc/95/45/82/532954582.db2.gz VDOLVCSJHDNACI-GXDHUFHOSA-N 0 0 315.373 2.208 40 10 DECBRN O=C1c2ccccc2C(=O)c2c(O)c3c(c(O)c21)CCC[C@H]3O ZINC000006583056 285022642 /nfs/dbraw/zinc/02/26/42/285022642.db2.gz NVNRWHHTJDJRHF-LLVKDONJSA-N 0 0 310.305 2.243 40 10 DECBRN O=C1NC(=S)NC(=O)C1=Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000001580993 401708270 /nfs/dbraw/zinc/70/82/70/401708270.db2.gz OXSPNEMHGWXEAV-UHFFFAOYSA-N 0 0 311.706 2.003 40 10 DECBRN O=C(Cc1cccs1)NCc1ccc(N2CCOCC2)cc1 ZINC000049740530 402021195 /nfs/dbraw/zinc/02/11/95/402021195.db2.gz YUMAGGCXKVFWCQ-UHFFFAOYSA-N 0 0 316.426 2.444 40 10 DECBRN COC(=O)C1=C(C)N(C)C(=O)/C1=C\c1ccc(OC)c(OC)c1 ZINC000100276325 402141007 /nfs/dbraw/zinc/14/10/07/402141007.db2.gz ALCOYQNNKBCMLU-WQLSENKSSA-N 0 0 317.341 2.006 40 10 DECBRN Nc1ccc(CN(Cc2ccco2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000575419971 406809754 /nfs/dbraw/zinc/80/97/54/406809754.db2.gz BVSUMLOQLZKVHW-OAHLLOKOSA-N 0 0 320.414 2.051 40 10 DECBRN C/C(C=C1C(=O)N(C)C(=S)N(C)C1=O)=C\c1ccccc1 ZINC000059139694 273480749 /nfs/dbraw/zinc/48/07/49/273480749.db2.gz GBDKOPHFLKBNOC-PKNBQFBNSA-N 0 0 300.383 2.232 40 10 DECBRN COc1ccc(Cl)cc1/C=C1\SC(NC(C)=O)=NC1=O ZINC000409025202 533833207 /nfs/dbraw/zinc/83/32/07/533833207.db2.gz ROANJVPZZZMBFW-WDZFZDKYSA-N 0 0 310.762 2.455 40 10 DECBRN O=C1NC(=S)NC(=O)C1=Cc1ccc(Oc2ccccc2)cc1 ZINC000005604125 181262930 /nfs/dbraw/zinc/26/29/30/181262930.db2.gz YIYCGYXIDCCILN-UHFFFAOYSA-N 0 0 324.361 2.393 40 10 DECBRN CCN1C(=O)/C(=C\c2ccccc2OC)C(C(=O)OC)=C1C ZINC000059435693 184138680 /nfs/dbraw/zinc/13/86/80/184138680.db2.gz FASWMFNZDMSBAX-RAXLEYEMSA-N 0 0 301.342 2.388 40 10 DECBRN O=C1OC2(CCCC2)OC(=O)C1=Cc1cc([N+](=O)[O-])ccc1F ZINC000059489892 296402445 /nfs/dbraw/zinc/40/24/45/296402445.db2.gz RMOOTHMXGUMKGY-UHFFFAOYSA-N 0 0 321.260 2.488 40 10 DECBRN O=c1c2ccccc2occ1[C@@H]1NCCc2cc(O)c(O)cc21 ZINC000016525181 285213919 /nfs/dbraw/zinc/21/39/19/285213919.db2.gz OTPBUNCWPYWHIS-QGZVFWFLSA-N 0 0 309.321 2.439 40 10 DECBRN O=C1OC2(CCCC2)OC(=O)C1=Cc1cccc([N+](=O)[O-])c1 ZINC000058866116 402102804 /nfs/dbraw/zinc/10/28/04/402102804.db2.gz DEVGWAKYXIEJOO-UHFFFAOYSA-N 0 0 303.270 2.349 40 10 DECBRN COc1ccc(/C=C2\SC(NC(C)=O)=NC2=O)cc1Cl ZINC000409026943 227249374 /nfs/dbraw/zinc/24/93/74/227249374.db2.gz JBBIBGQFRUESRY-WDZFZDKYSA-N 0 0 310.762 2.455 40 10 DECBRN CCN1C(=O)/C(=C/c2cc(C)n(CCOC)c2C)N(C)C1=S ZINC000409137808 528943613 /nfs/dbraw/zinc/94/36/13/528943613.db2.gz YXQTYDQVVUGDHM-UVTDQMKNSA-N 0 0 321.446 2.171 40 10 DECBRN O=C1/C(=C/N2CCOCC2)SC(=S)N1c1ccccc1 ZINC000059397228 354605330 /nfs/dbraw/zinc/60/53/30/354605330.db2.gz XHGBZCYJBRAMKA-BENRWUELSA-N 0 0 306.412 2.225 40 10 DECBRN Nc1ccc(CN(c2ccccc2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000575421264 406809873 /nfs/dbraw/zinc/80/98/73/406809873.db2.gz NZKVOHBAHPACNC-QGZVFWFLSA-N 0 0 316.426 2.463 40 10 DECBRN CC(=O)O[C@]12C=C[C@@](OC(C)=O)(CCc3ccc(o3)CC1)O2 ZINC000006761561 278222605 /nfs/dbraw/zinc/22/26/05/278222605.db2.gz GXKCEGADIFAOCH-HZPDHXFCSA-N 0 0 306.314 2.264 40 10 DECBRN Cc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c(C)n1C1CC1 ZINC000008334218 291881564 /nfs/dbraw/zinc/88/15/64/291881564.db2.gz ZFHXGFSYZMVBGE-UHFFFAOYSA-N 0 0 317.414 2.039 40 10 DECBRN COc1cc(Br)c(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000045957701 401963879 /nfs/dbraw/zinc/96/38/79/401963879.db2.gz NBNVFVKDFRXCJI-UHFFFAOYSA-N 0 0 317.139 2.203 40 10 DECBRN COCCN1C(=O)S/C(=C/c2ccc(N(C)C)cc2)C1=O ZINC000409146812 227248919 /nfs/dbraw/zinc/24/89/19/227248919.db2.gz LCYHXBKCGGGCGR-JLHYYAGUSA-N 0 0 306.387 2.435 40 10 DECBRN CC(NCCO)=C1C(=O)N(c2ccccc2)N=C1c1ccccc1 ZINC000101842547 402156202 /nfs/dbraw/zinc/15/62/02/402156202.db2.gz UIZMGJOIYDJEFK-SAPNQHFASA-N 0 0 321.380 2.293 40 10 DECBRN CCCN1C(=O)/C(=C\c2ccc(O)cc2)C(C(=O)OC)=C1C ZINC000409206508 276256872 /nfs/dbraw/zinc/25/68/72/276256872.db2.gz KIMXWXYBLUCQLF-UVTDQMKNSA-N 0 0 301.342 2.475 40 10 DECBRN CN(C)C=C1C(=O)N(c2ccccc2)N(c2ccccc2)C1=O ZINC000016163101 289072450 /nfs/dbraw/zinc/07/24/50/289072450.db2.gz FJSJIHHHWCVTCN-UHFFFAOYSA-N 0 0 307.353 2.427 40 10 DECBRN COc1ccc(N2CCOCC2)c(NC(=O)C(F)(F)F)c1 ZINC000007496649 333004824 /nfs/dbraw/zinc/00/48/24/333004824.db2.gz YLPZKTCEHYCLCH-UHFFFAOYSA-N 0 0 304.268 2.033 40 10 DECBRN CC(C)Oc1ccc(Cl)cc1C=C1C(=O)NC(=S)NC1=O ZINC000408865090 528166433 /nfs/dbraw/zinc/16/64/33/528166433.db2.gz AYTOLBVDSFCBPH-UHFFFAOYSA-N 0 0 324.789 2.042 40 10 DECBRN CNC(=O)N[C@@H](c1ccc(F)cc1)c1cc2c(cc1O)OCO2 ZINC000006378854 181335783 /nfs/dbraw/zinc/33/57/83/181335783.db2.gz RMLIHUMSCWMAFD-HNNXBMFYSA-N 0 0 318.304 2.278 40 10 DECBRN CC1(C)[C@@H]2CC[C@@]1(C(=O)N1CCc3ccccc3C1)C(=O)C2=O ZINC000100261946 193798034 /nfs/dbraw/zinc/79/80/34/193798034.db2.gz UIEXPJLYCJLADP-KUHUBIRLSA-N 0 0 311.381 2.146 40 10 DECBRN CC(=O)Oc1ccc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)cc1 ZINC000041078379 401927134 /nfs/dbraw/zinc/92/71/34/401927134.db2.gz RPAQGILLLRCTRZ-FZGTXKIXSA-N 0 0 311.297 2.062 40 10 DECBRN O=C([O-])c1ccc(O)c(C[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000096530267 402099105 /nfs/dbraw/zinc/09/91/05/402099105.db2.gz SGDFRSJAZBYKEC-UHFFFAOYSA-N 0 0 312.369 2.413 40 10 DECBRN CCCN1C(=O)/C(=C\c2cccc(O)c2)C(C(=O)OC)=C1C ZINC000409204421 528163513 /nfs/dbraw/zinc/16/35/13/528163513.db2.gz HBORBFFOBBGKAP-UVTDQMKNSA-N 0 0 301.342 2.475 40 10 DECBRN CCN1C(=O)/C(=C/c2ccccc2OC(C)C)C(=O)NC1=S ZINC000409393692 528942871 /nfs/dbraw/zinc/94/28/71/528942871.db2.gz ZAMKSIHQRWHLQT-FMIVXFBMSA-N 0 0 318.398 2.120 40 10 DECBRN CC(=O)c1c2cc(CO)ccn2c2c1C(=O)c1ccccc1C2=O ZINC000005545064 539327161 /nfs/dbraw/zinc/32/71/61/539327161.db2.gz HDJIZGFDYJTXDK-UHFFFAOYSA-N 0 0 319.316 2.410 40 10 DECBRN CCCCCc1[nH]nc(C(=O)OC)c1N=NN1CCOCC1 ZINC000016932196 182065011 /nfs/dbraw/zinc/06/50/11/182065011.db2.gz AAKAOEQFXCFXKB-ZCXUNETKSA-N 0 0 309.370 2.260 40 10 DECBRN COC1(NC(=O)c2ccc(C)cc2)C(=O)c2ccccc2C1=O ZINC000226297944 402326640 /nfs/dbraw/zinc/32/66/40/402326640.db2.gz LEMPNWSHSDELLR-UHFFFAOYSA-N 0 0 309.321 2.147 40 10 DECBRN CC(=O)Oc1ccccc1C=C1C(=O)OC2(CCCC2)OC1=O ZINC000058866190 278222837 /nfs/dbraw/zinc/22/28/37/278222837.db2.gz XTABPCDWILCFMF-UHFFFAOYSA-N 0 0 316.309 2.366 40 10 DECBRN CCOc1cc2c(cc1C=C1SC(=S)NC1=O)OCO2 ZINC000409107126 528337701 /nfs/dbraw/zinc/33/77/01/528337701.db2.gz QGHLRYYQRAQRKO-WCIBSUBMSA-N 0 0 309.368 2.303 40 10 DECBRN CC[C@@H](C)N1C(=O)C(=CNN2CCCCCC2)C(=O)NC1=S ZINC000038179478 1078219415 /nfs/dbraw/zinc/21/94/15/1078219415.db2.gz CYDOMTUFKOSRSB-JPQYHBGPSA-N 0 0 324.450 2.133 40 10 DECBRN COc1ccc(NC(=O)COc2ccc(N)cc2)c(OC)c1 ZINC000031895856 182628389 /nfs/dbraw/zinc/62/83/89/182628389.db2.gz KQNQFOCSPPQFGU-UHFFFAOYSA-N 0 0 302.330 2.304 40 10 DECBRN COc1ccc([C@H]2NCCc3cc(O)c(O)cc32)c(OC)c1 ZINC000004724922 401726715 /nfs/dbraw/zinc/72/67/15/401726715.db2.gz UQDIDFQFKYQBNN-QGZVFWFLSA-N 0 0 301.342 2.350 40 10 DECBRN CC(C)CC(=O)NN1C(=O)/C(=C/c2cccn2C)SC1=S ZINC000005552647 401730322 /nfs/dbraw/zinc/73/03/22/401730322.db2.gz MSPGATHPXUMKRY-FLIBITNWSA-N 0 0 323.443 2.304 40 10 DECBRN CC(C)Oc1ccc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc1 ZINC000059139318 273541528 /nfs/dbraw/zinc/54/15/28/273541528.db2.gz OXMADWSNBBRKSO-UHFFFAOYSA-N 0 0 318.398 2.073 40 10 DECBRN CC(=O)Oc1ccc(C=C2C(=O)OC3(CCCC3)OC2=O)cc1 ZINC000058866172 277094171 /nfs/dbraw/zinc/09/41/71/277094171.db2.gz XITGKGYZGWDXTA-UHFFFAOYSA-N 0 0 316.309 2.366 40 10 DECBRN CC(C)OC(=O)CN1C(=O)/C(=C/c2ccccn2)SC1=S ZINC000001276877 180852572 /nfs/dbraw/zinc/85/25/72/180852572.db2.gz CTQWEYZDRYYXIZ-XFFZJAGNSA-N 0 0 322.411 2.234 40 10 DECBRN CCCN1C(=O)/C(=C\c2ccccc2O)C(C(=O)OC)=C1C ZINC000000574473 353990557 /nfs/dbraw/zinc/99/05/57/353990557.db2.gz ISOPDEOTCGYWQM-RAXLEYEMSA-N 0 0 301.342 2.475 40 10 DECBRN COCCN1C(=O)/C(=C\c2cccc(F)c2)C(C(=O)OC)=C1C ZINC000006348279 181333260 /nfs/dbraw/zinc/33/32/60/181333260.db2.gz SHJSSJFEJFPGMD-UVTDQMKNSA-N 0 0 319.332 2.145 40 10 DECBRN CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C(N)=O)cc1 ZINC000017023004 182068206 /nfs/dbraw/zinc/06/82/06/182068206.db2.gz LQTPQUHUPWEKPE-VBKFSLOCSA-N 0 0 309.369 2.009 40 10 DECBRN CC1(C)[C@]2(C)CC[C@@]1(C(=O)NCc1ccc(F)cc1)C(=O)C2=O ZINC000028580588 401852901 /nfs/dbraw/zinc/85/29/01/401852901.db2.gz DZULUWDRKKFMHB-MSOLQXFVSA-N 0 0 317.360 2.406 40 10 DECBRN CCC[NH+]=C(C)C1=C([O-])N(c2ccccc2)NC1=CC(=O)OC ZINC000017053257 182071478 /nfs/dbraw/zinc/07/14/78/182071478.db2.gz GJYOQKUNHGPOPE-VBKFSLOCSA-N 0 0 315.373 2.226 40 10 DECBRN CCN1C(=O)C(=Cc2ccc(F)cc2)C(=O)N(CC)C1=S ZINC000006144881 276145825 /nfs/dbraw/zinc/14/58/25/276145825.db2.gz XEPQGXHCCANEPR-UHFFFAOYSA-N 0 0 306.362 2.205 40 10 DECBRN