smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [O-]c1cccc(Cl)c1-c1ccccc1 ZINC000001998602 582458964 /nfs/dbraw/zinc/45/89/64/582458964.db2.gz KPFPEXKMIDAQNO-UHFFFAOYSA-N -1 3 204.656 3.713 20 0 BHADHM Cc1ccc(NC(=O)CCC2CCCC2)c([O-])c1 ZINC000006454116 363097442 /nfs/dbraw/zinc/09/74/42/363097442.db2.gz PYBPOXZBFSDCRK-UHFFFAOYSA-N -1 3 247.338 3.610 20 0 BHADHM [O-]c1ccc(/C=C/c2nc3ccccc3o2)cc1 ZINC000023986968 385077607 /nfs/dbraw/zinc/07/76/07/385077607.db2.gz CQIRTPGXUQOCPM-JXMROGBWSA-N -1 3 237.258 3.704 20 0 BHADHM CCCCCC(=O)Nc1cc(Cl)ccc1[O-] ZINC000029464228 356171334 /nfs/dbraw/zinc/17/13/34/356171334.db2.gz CARRWIKAFZTABH-UHFFFAOYSA-N -1 3 241.718 3.564 20 0 BHADHM CC(C)c1csc(-c2ccccc2[O-])n1 ZINC000036155385 384428506 /nfs/dbraw/zinc/42/85/06/384428506.db2.gz WBVNLDLFCOSQES-UHFFFAOYSA-N -1 3 219.309 3.639 20 0 BHADHM CC(C)(C)c1csc(-c2ccccc2[O-])n1 ZINC000036155388 387581158 /nfs/dbraw/zinc/58/11/58/387581158.db2.gz KMVYJDPFFPOPLE-UHFFFAOYSA-N -1 3 233.336 3.813 20 0 BHADHM [O-]c1ccc(Sc2nc3ccccc3o2)cc1 ZINC000038079217 397973678 /nfs/dbraw/zinc/97/36/78/397973678.db2.gz MAGWMSCFBZNCTF-UHFFFAOYSA-N -1 3 243.287 3.685 20 0 BHADHM CCCC[C@@H](CC)C(=O)Nc1ccc(C)cc1[O-] ZINC000040887333 384599906 /nfs/dbraw/zinc/59/99/06/384599906.db2.gz IQMNIGQCVYRLMZ-GFCCVEGCSA-N -1 3 249.354 3.856 20 0 BHADHM CCCC[C@H](CC)C(=O)Nc1ccc(C)cc1[O-] ZINC000040887334 384599744 /nfs/dbraw/zinc/59/97/44/384599744.db2.gz IQMNIGQCVYRLMZ-LBPRGKRZSA-N -1 3 249.354 3.856 20 0 BHADHM Cc1ccc(NC(=O)C2CCCCCC2)c([O-])c1 ZINC000053715181 384720237 /nfs/dbraw/zinc/72/02/37/384720237.db2.gz FOWOBUKBFNAXHH-UHFFFAOYSA-N -1 3 247.338 3.610 20 0 BHADHM [O-]c1ccc(Cl)cc1/C=N/C[C@H]1CC=CCC1 ZINC000065999111 632817955 /nfs/dbraw/zinc/81/79/55/632817955.db2.gz UTDTWUDUILOTAE-YAFRSCOQSA-N -1 3 249.741 3.821 20 0 BHADHM Cc1cc(C(=O)/C=C/c2cccs2)ccc1[O-] ZINC000077166059 641838828 /nfs/dbraw/zinc/83/88/28/641838828.db2.gz WUOWNFUDEMOKEL-FNORWQNLSA-N -1 3 244.315 3.658 20 0 BHADHM CCCCCC(=O)Nc1ccc([O-])cc1Cl ZINC000082879820 345790305 /nfs/dbraw/zinc/79/03/05/345790305.db2.gz CHEVOEQNWQIWMN-UHFFFAOYSA-N -1 3 241.718 3.564 20 0 BHADHM CC1(C)CCc2sc(-c3ccccc3[O-])nc21 ZINC000094309112 386942755 /nfs/dbraw/zinc/94/27/55/386942755.db2.gz OQGYEKJRHPWGCJ-UHFFFAOYSA-N -1 3 245.347 3.740 20 0 BHADHM CCC1(C(=O)Nc2ccc(C)cc2[O-])CCCC1 ZINC000094904092 386967679 /nfs/dbraw/zinc/96/76/79/386967679.db2.gz YQONXWRLRWJQEP-UHFFFAOYSA-N -1 3 247.338 3.610 20 0 BHADHM CC(C)(C)CCCC(=O)Nc1ccccc1[O-] ZINC000103519679 323251784 /nfs/dbraw/zinc/25/17/84/323251784.db2.gz WEQIABLLVVUQSH-UHFFFAOYSA-N -1 3 235.327 3.547 20 0 BHADHM Cc1ccc(NC(=O)CC2=CCCCC2)c([O-])c1 ZINC000104104158 387500312 /nfs/dbraw/zinc/50/03/12/387500312.db2.gz KRDSHVVICXWFQR-UHFFFAOYSA-N -1 3 245.322 3.530 20 0 BHADHM Cc1ccc(NC(=O)C[C@@H](C)C(C)(C)C)c([O-])c1 ZINC000111618424 323162150 /nfs/dbraw/zinc/16/21/50/323162150.db2.gz UBVCURASKFSAKR-LLVKDONJSA-N -1 3 249.354 3.711 20 0 BHADHM Cc1ccc(NC(=O)C[C@H](C)C(C)(C)C)c([O-])c1 ZINC000111618427 323162198 /nfs/dbraw/zinc/16/21/98/323162198.db2.gz UBVCURASKFSAKR-NSHDSACASA-N -1 3 249.354 3.711 20 0 BHADHM C[C@@H](CC1CCCC1)C(=O)Nc1ccccc1[O-] ZINC000114536849 323194960 /nfs/dbraw/zinc/19/49/60/323194960.db2.gz BJWSETSVFARXOX-NSHDSACASA-N -1 3 247.338 3.547 20 0 BHADHM C[C@H](CC1CCCC1)C(=O)Nc1ccccc1[O-] ZINC000114536850 323194935 /nfs/dbraw/zinc/19/49/35/323194935.db2.gz BJWSETSVFARXOX-LLVKDONJSA-N -1 3 247.338 3.547 20 0 BHADHM Cc1ccc(NC(=O)C2(C)CCCCC2)c([O-])c1 ZINC000122391179 398337671 /nfs/dbraw/zinc/33/76/71/398337671.db2.gz RQJLIRJJHCQHSR-UHFFFAOYSA-N -1 3 247.338 3.610 20 0 BHADHM CC(C)(C(=O)Nc1ccccc1[O-])C1CCCC1 ZINC000123044679 324079270 /nfs/dbraw/zinc/07/92/70/324079270.db2.gz TXNNWWVYJTXCGW-UHFFFAOYSA-N -1 3 247.338 3.547 20 0 BHADHM CC(C(=O)Nc1ccc(C)cc1[O-])=C1CCCC1 ZINC000125597856 384733451 /nfs/dbraw/zinc/73/34/51/384733451.db2.gz GWOBXWGQJMJJBW-UHFFFAOYSA-N -1 3 245.322 3.530 20 0 BHADHM Cc1ccc(NC(=O)C2=CCCCCC2)c([O-])c1 ZINC000126835933 345142292 /nfs/dbraw/zinc/14/22/92/345142292.db2.gz ICOJWBCXIWGXMF-UHFFFAOYSA-N -1 3 245.322 3.530 20 0 BHADHM CCCCCCC(=O)Nc1ccc(C)cc1[O-] ZINC000127734556 590766061 /nfs/dbraw/zinc/76/60/61/590766061.db2.gz YWGXSNHDVPFWKO-UHFFFAOYSA-N -1 3 235.327 3.610 20 0 BHADHM Cc1cccc([O-])c1NC(=O)C1=CCCCCC1 ZINC000131999683 179160061 /nfs/dbraw/zinc/16/00/61/179160061.db2.gz CHVKEUOXWFXHBU-UHFFFAOYSA-N -1 3 245.322 3.530 20 0 BHADHM CCCCCC(=O)Nc1ccc(Cl)cc1[O-] ZINC000153646721 326105230 /nfs/dbraw/zinc/10/52/30/326105230.db2.gz NQSKIVCBIBLUQD-UHFFFAOYSA-N -1 3 241.718 3.564 20 0 BHADHM C[C@@H]1CCC[C@H](CC(=O)Nc2ccccc2[O-])C1 ZINC000155871403 326213730 /nfs/dbraw/zinc/21/37/30/326213730.db2.gz WMQFKMDHYAAVLV-NEPJUHHUSA-N -1 3 247.338 3.547 20 0 BHADHM C[C@H]1CCC[C@H](CC(=O)Nc2ccccc2[O-])C1 ZINC000155871523 326213711 /nfs/dbraw/zinc/21/37/11/326213711.db2.gz WMQFKMDHYAAVLV-RYUDHWBXSA-N -1 3 247.338 3.547 20 0 BHADHM C[C@@H]1CCC[C@@H](CC(=O)Nc2ccccc2[O-])C1 ZINC000155871626 326213504 /nfs/dbraw/zinc/21/35/04/326213504.db2.gz WMQFKMDHYAAVLV-VXGBXAGGSA-N -1 3 247.338 3.547 20 0 BHADHM C[C@H]1CCC[C@@H](CC(=O)Nc2ccccc2[O-])C1 ZINC000155871755 326213521 /nfs/dbraw/zinc/21/35/21/326213521.db2.gz WMQFKMDHYAAVLV-NWDGAFQWSA-N -1 3 247.338 3.547 20 0 BHADHM CC1(CC(=O)Nc2ccccc2[O-])CCCCC1 ZINC000156187370 326221253 /nfs/dbraw/zinc/22/12/53/326221253.db2.gz PURBBXZEYNVCAT-UHFFFAOYSA-N -1 3 247.338 3.691 20 0 BHADHM CCCC(CCC)C(=O)Nc1ccccc1[O-] ZINC000156188032 326221101 /nfs/dbraw/zinc/22/11/01/326221101.db2.gz GPXMBIJLAKLRAN-UHFFFAOYSA-N -1 3 235.327 3.547 20 0 BHADHM CC(C)CC1(C(=O)Nc2ccccc2[O-])CCC1 ZINC000157749102 326294339 /nfs/dbraw/zinc/29/43/39/326294339.db2.gz FUPLBMSCGOCMIX-UHFFFAOYSA-N -1 3 247.338 3.547 20 0 BHADHM O=C(CCCC1CCCC1)Nc1ccccc1[O-] ZINC000175083255 374289342 /nfs/dbraw/zinc/28/93/42/374289342.db2.gz XWRIGBFJNMYMLT-UHFFFAOYSA-N -1 3 247.338 3.691 20 0 BHADHM Cc1ccc(NC(=O)C(C)(C)CC(C)C)c([O-])c1 ZINC000175521528 365560282 /nfs/dbraw/zinc/56/02/82/365560282.db2.gz OJBFNNZGJLIGED-UHFFFAOYSA-N -1 3 249.354 3.711 20 0 BHADHM O=C(CC1CCCCCC1)Nc1ccccc1[O-] ZINC000176123264 343758405 /nfs/dbraw/zinc/75/84/05/343758405.db2.gz OIKPJCLNBSVPET-UHFFFAOYSA-N -1 3 247.338 3.691 20 0 BHADHM CC1(C)CCC[C@H](C(=O)Nc2ccccc2[O-])C1 ZINC000178952237 366189597 /nfs/dbraw/zinc/18/95/97/366189597.db2.gz VBNJMENZIYDIBV-NSHDSACASA-N -1 3 247.338 3.547 20 0 BHADHM CC1(C)CCC[C@@H](C(=O)Nc2ccccc2[O-])C1 ZINC000178952243 366189318 /nfs/dbraw/zinc/18/93/18/366189318.db2.gz VBNJMENZIYDIBV-LLVKDONJSA-N -1 3 247.338 3.547 20 0 BHADHM Cc1cccc([O-])c1NC(=O)CC1=CCCCC1 ZINC000179546848 179160634 /nfs/dbraw/zinc/16/06/34/179160634.db2.gz FZWQMAIGQOYCMG-UHFFFAOYSA-N -1 3 245.322 3.530 20 0 BHADHM Cc1cccc([O-])c1NC(=O)CC1CCCCC1 ZINC000179552482 179160948 /nfs/dbraw/zinc/16/09/48/179160948.db2.gz BLTMNHGJJRHBBZ-UHFFFAOYSA-N -1 3 247.338 3.610 20 0 BHADHM Cc1cccc([O-])c1NC(=O)CCC1CCCC1 ZINC000179560791 179160875 /nfs/dbraw/zinc/16/08/75/179160875.db2.gz XXNHMRSOAZTBNS-UHFFFAOYSA-N -1 3 247.338 3.610 20 0 BHADHM Cc1cccc([O-])c1NC(=O)CCCC(C)(C)C ZINC000179566320 179159730 /nfs/dbraw/zinc/15/97/30/179159730.db2.gz LRGRZTDXUNHGSL-UHFFFAOYSA-N -1 3 249.354 3.856 20 0 BHADHM CC1(C(=O)Nc2ccccc2[O-])CCCCCC1 ZINC000181826385 384997473 /nfs/dbraw/zinc/99/74/73/384997473.db2.gz LWHTVHRNRPPHDP-UHFFFAOYSA-N -1 3 247.338 3.691 20 0 BHADHM CC(C(=O)Nc1c(C)cccc1[O-])=C1CCCC1 ZINC000183022450 385729025 /nfs/dbraw/zinc/72/90/25/385729025.db2.gz RQKOPWYANHQUNR-UHFFFAOYSA-N -1 3 245.322 3.530 20 0 BHADHM Cc1cccc([O-])c1NC(=O)C1CCCCCC1 ZINC000183040317 179160157 /nfs/dbraw/zinc/16/01/57/179160157.db2.gz IQRPEXJIUULJMB-UHFFFAOYSA-N -1 3 247.338 3.610 20 0 BHADHM CC[C@@H](CC(=O)Nc1c(C)cccc1[O-])C(C)C ZINC000183040769 385731871 /nfs/dbraw/zinc/73/18/71/385731871.db2.gz VEMWCDFVHIRFTA-LBPRGKRZSA-N -1 3 249.354 3.711 20 0 BHADHM CC[C@H](CC(=O)Nc1c(C)cccc1[O-])C(C)C ZINC000183040787 385732501 /nfs/dbraw/zinc/73/25/01/385732501.db2.gz VEMWCDFVHIRFTA-GFCCVEGCSA-N -1 3 249.354 3.711 20 0 BHADHM CCC[C@H](C(=O)Nc1c(C)cccc1[O-])C(C)C ZINC000183050606 385732565 /nfs/dbraw/zinc/73/25/65/385732565.db2.gz JECUECABAGUWIR-LBPRGKRZSA-N -1 3 249.354 3.711 20 0 BHADHM CCC[C@@H](C(=O)Nc1c(C)cccc1[O-])C(C)C ZINC000183050620 169346416 /nfs/dbraw/zinc/34/64/16/169346416.db2.gz JECUECABAGUWIR-GFCCVEGCSA-N -1 3 249.354 3.711 20 0 BHADHM Cc1cccc([O-])c1NC(=O)C[C@@H](C)CC(C)C ZINC000183063587 398088539 /nfs/dbraw/zinc/08/85/39/398088539.db2.gz ZZLIOQPWMJQVIY-NSHDSACASA-N -1 3 249.354 3.711 20 0 BHADHM Cc1cccc([O-])c1NC(=O)C[C@H](C)CC(C)C ZINC000183063608 256617093 /nfs/dbraw/zinc/61/70/93/256617093.db2.gz ZZLIOQPWMJQVIY-LLVKDONJSA-N -1 3 249.354 3.711 20 0 BHADHM CCC1(C(=O)Nc2ccccc2[O-])CCCCC1 ZINC000184100195 388575008 /nfs/dbraw/zinc/57/50/08/388575008.db2.gz NIABPJRDDPQVMC-UHFFFAOYSA-N -1 3 247.338 3.691 20 0 BHADHM Cc1ccc(NCc2cc([O-])cc(F)c2)c(C)c1 ZINC000184130796 385620147 /nfs/dbraw/zinc/62/01/47/385620147.db2.gz LGYGXSWPDVGLTE-UHFFFAOYSA-N -1 3 245.297 3.760 20 0 BHADHM Cc1ccc(NCc2cc([O-])cc(F)c2)cc1C ZINC000184131911 397981808 /nfs/dbraw/zinc/98/18/08/397981808.db2.gz HBAUWGOXWFCECT-UHFFFAOYSA-N -1 3 245.297 3.760 20 0 BHADHM Cc1cc(C)cc(NCc2cc([O-])cc(F)c2)c1 ZINC000184132248 397981695 /nfs/dbraw/zinc/98/16/95/397981695.db2.gz RFNNVTPUEJIDMW-UHFFFAOYSA-N -1 3 245.297 3.760 20 0 BHADHM Cc1ccc(F)cc1NCc1cc([O-])cc(F)c1 ZINC000184132267 134358921 /nfs/dbraw/zinc/35/89/21/134358921.db2.gz SHQKGIGCMBVQRD-UHFFFAOYSA-N -1 3 249.260 3.591 20 0 BHADHM CCc1ccc(NCc2cc([O-])cc(F)c2)cc1 ZINC000184132289 397981911 /nfs/dbraw/zinc/98/19/11/397981911.db2.gz UFVFJYCFOQPIIG-UHFFFAOYSA-N -1 3 245.297 3.706 20 0 BHADHM Cc1ccc(NCc2cc([O-])cc(F)c2)cc1F ZINC000184132306 134358879 /nfs/dbraw/zinc/35/88/79/134358879.db2.gz QIWQYKNHQQWIQI-UHFFFAOYSA-N -1 3 249.260 3.591 20 0 BHADHM CCc1ccccc1NCc1cc([O-])cc(F)c1 ZINC000184132326 397981934 /nfs/dbraw/zinc/98/19/34/397981934.db2.gz WPYVNBDUEFVJPS-UHFFFAOYSA-N -1 3 245.297 3.706 20 0 BHADHM Cc1cc(F)ccc1NCc1cc([O-])cc(F)c1 ZINC000184132388 134359143 /nfs/dbraw/zinc/35/91/43/134359143.db2.gz AYJFUXSBJPTFJK-UHFFFAOYSA-N -1 3 249.260 3.591 20 0 BHADHM CCc1cccc(NCc2cc([O-])cc(F)c2)c1 ZINC000184132421 397981819 /nfs/dbraw/zinc/98/18/19/397981819.db2.gz BJACNUDPJSZOMK-UHFFFAOYSA-N -1 3 245.297 3.706 20 0 BHADHM Cc1cccc(NCc2cc([O-])cc(F)c2)c1C ZINC000184132496 397981864 /nfs/dbraw/zinc/98/18/64/397981864.db2.gz BKLCYVWJERXKEE-UHFFFAOYSA-N -1 3 245.297 3.760 20 0 BHADHM Cc1ccc(C)c(NCc2cc([O-])cc(F)c2)c1 ZINC000184132537 397982112 /nfs/dbraw/zinc/98/21/12/397982112.db2.gz OBYKFWMKIALKEU-UHFFFAOYSA-N -1 3 245.297 3.760 20 0 BHADHM Cc1ccc(NCc2cc([O-])cc(F)c2)c(F)c1 ZINC000184135413 134359118 /nfs/dbraw/zinc/35/91/18/134359118.db2.gz VWKXFXDOWKMUQN-UHFFFAOYSA-N -1 3 249.260 3.591 20 0 BHADHM Cc1ccc(F)c(NCc2cc([O-])cc(F)c2)c1 ZINC000184135434 134359175 /nfs/dbraw/zinc/35/91/75/134359175.db2.gz OIKMSAJOPWZNPP-UHFFFAOYSA-N -1 3 249.260 3.591 20 0 BHADHM Cc1c(F)cccc1NCc1cc([O-])cc(F)c1 ZINC000184141620 134359011 /nfs/dbraw/zinc/35/90/11/134359011.db2.gz KVFNPYZWTCZQGC-UHFFFAOYSA-N -1 3 249.260 3.591 20 0 BHADHM Cc1cc(NCc2cc([O-])cc(F)c2)ccc1F ZINC000184142316 134359156 /nfs/dbraw/zinc/35/91/56/134359156.db2.gz HTPLOKJWFSWEAZ-UHFFFAOYSA-N -1 3 249.260 3.591 20 0 BHADHM Cc1cc(F)cc(NCc2cc([O-])cc(F)c2)c1 ZINC000184143469 134358948 /nfs/dbraw/zinc/35/89/48/134358948.db2.gz DYYFYHUQNLEKRW-UHFFFAOYSA-N -1 3 249.260 3.591 20 0 BHADHM Cc1cccc(NCc2cc([O-])cc(F)c2)c1F ZINC000185618954 385734210 /nfs/dbraw/zinc/73/42/10/385734210.db2.gz BQPZXGOLFYINHD-UHFFFAOYSA-N -1 3 249.260 3.591 20 0 BHADHM C/C(=C\C(C)(C)C)C(=O)Nc1c(C)cccc1[O-] ZINC000185917247 188170631 /nfs/dbraw/zinc/17/06/31/188170631.db2.gz RAVSBCQKCNLVBJ-PKNBQFBNSA-N -1 3 247.338 3.632 20 0 BHADHM CC1(C)CCCC[C@@H]1C(=O)Nc1ccccc1[O-] ZINC000193883703 387806416 /nfs/dbraw/zinc/80/64/16/387806416.db2.gz XOYLAYUJTNZZJO-LLVKDONJSA-N -1 3 247.338 3.547 20 0 BHADHM CC1(C)CCCC[C@H]1C(=O)Nc1ccccc1[O-] ZINC000193883715 387807513 /nfs/dbraw/zinc/80/75/13/387807513.db2.gz XOYLAYUJTNZZJO-NSHDSACASA-N -1 3 247.338 3.547 20 0 BHADHM CCN(Cc1cc([O-])cc(F)c1)c1ccccc1 ZINC000223751544 134339285 /nfs/dbraw/zinc/33/92/85/134339285.db2.gz OXJAGWCXUDVHJD-UHFFFAOYSA-N -1 3 245.297 3.558 20 0 BHADHM CCCC(CCC)C(=O)Nc1ccc(C)cc1[O-] ZINC000227964517 388762718 /nfs/dbraw/zinc/76/27/18/388762718.db2.gz LUOUXBAFXIUKCB-UHFFFAOYSA-N -1 3 249.354 3.856 20 0 BHADHM CC[C@H]1CC[C@H](C(=O)Nc2ccccc2[O-])CC1 ZINC000249843151 388734725 /nfs/dbraw/zinc/73/47/25/388734725.db2.gz OAUGJGMFHYNNKS-HAQNSBGRSA-N -1 3 247.338 3.547 20 0 BHADHM [O-]c1ccc(Cl)cc1C=Nc1ccccc1F ZINC000254372635 635135989 /nfs/dbraw/zinc/13/59/89/635135989.db2.gz ULFWXQFFPMLFML-UHFFFAOYSA-N -1 3 249.672 3.935 20 0 BHADHM [O-]c1ccc(Cl)cc1C=Nc1cccc(F)c1 ZINC000254827129 635154507 /nfs/dbraw/zinc/15/45/07/635154507.db2.gz JBAVLOGIZIWPKC-UHFFFAOYSA-N -1 3 249.672 3.935 20 0 BHADHM C/C=C(\C=C\C(=O)Nc1c(C)cccc1[O-])CC ZINC000272369424 385898174 /nfs/dbraw/zinc/89/81/74/385898174.db2.gz APOCDQUWTZZRAP-XBXLSIANSA-N -1 3 245.322 3.552 20 0 BHADHM Cc1cccc([O-])c1NC(=O)C=C1CCCCC1 ZINC000272439572 179160618 /nfs/dbraw/zinc/16/06/18/179160618.db2.gz IKYJRRVQTZCKAA-UHFFFAOYSA-N -1 3 245.322 3.530 20 0 BHADHM Cc1cccc([O-])c1NC(=O)CC1(C)CCCC1 ZINC000291665050 179159922 /nfs/dbraw/zinc/15/99/22/179159922.db2.gz LEMIHSKZDRYEAW-UHFFFAOYSA-N -1 3 247.338 3.610 20 0 BHADHM Cc1sc(-c2ccccc2[O-])nc1C1CC1 ZINC000300748986 226372005 /nfs/dbraw/zinc/37/20/05/226372005.db2.gz KILKAWPLMRVUDZ-UHFFFAOYSA-N -1 3 231.320 3.702 20 0 BHADHM Cc1ccc(NC(=O)CCCC(C)(C)C)c([O-])c1 ZINC000303223843 388852989 /nfs/dbraw/zinc/85/29/89/388852989.db2.gz SNSLMOQOISNRPW-UHFFFAOYSA-N -1 3 249.354 3.856 20 0 BHADHM Cc1cscc1NCc1cc([O-])cc(F)c1 ZINC000309616048 384651604 /nfs/dbraw/zinc/65/16/04/384651604.db2.gz BTTVGBJSWFIUHL-UHFFFAOYSA-N -1 3 237.299 3.513 20 0 BHADHM Cc1ccc(NC(=O)C(C)(C)C(C)(C)C)c([O-])c1 ZINC000311167622 388493604 /nfs/dbraw/zinc/49/36/04/388493604.db2.gz ORKZZWDMMLPFOK-UHFFFAOYSA-N -1 3 249.354 3.711 20 0 BHADHM CCCC(C)(C)NCc1cccc([O-])c1Cl ZINC000328078306 387865566 /nfs/dbraw/zinc/86/55/66/387865566.db2.gz BBEGPEMTZXOWPR-UHFFFAOYSA-N -1 3 241.762 3.714 20 0 BHADHM CC(C)C[C@H](C)NCc1cccc([O-])c1Cl ZINC000328212197 324240254 /nfs/dbraw/zinc/24/02/54/324240254.db2.gz IWUIQYNIPAXPIV-JTQLQIEISA-N -1 3 241.762 3.570 20 0 BHADHM CC(C)C[C@@H](C)NCc1cccc([O-])c1Cl ZINC000328212198 324240345 /nfs/dbraw/zinc/24/03/45/324240345.db2.gz IWUIQYNIPAXPIV-SNVBAGLBSA-N -1 3 241.762 3.570 20 0 BHADHM C[C@@H](NCc1cccc([O-])c1Cl)C(C)(C)C ZINC000328214763 487630044 /nfs/dbraw/zinc/63/00/44/487630044.db2.gz JPPWLOSQGSKKLE-SECBINFHSA-N -1 3 241.762 3.570 20 0 BHADHM CCC(C)(C)N(C)Cc1cccc([O-])c1Cl ZINC000328268949 324367561 /nfs/dbraw/zinc/36/75/61/324367561.db2.gz WPNUOIUWOMCAKI-UHFFFAOYSA-N -1 3 241.762 3.666 20 0 BHADHM CC(C)CCCNCc1cccc([O-])c1Cl ZINC000328278212 324389569 /nfs/dbraw/zinc/38/95/69/324389569.db2.gz YISCLMZOPNRXGB-UHFFFAOYSA-N -1 3 241.762 3.571 20 0 BHADHM CCCN(CCC)Cc1cccc([O-])c1Cl ZINC000328340187 388615199 /nfs/dbraw/zinc/61/51/99/388615199.db2.gz LYNSTRLURFEUMD-UHFFFAOYSA-N -1 3 241.762 3.668 20 0 BHADHM CCN(Cc1cccc([O-])c1Cl)CC(C)C ZINC000328340707 388616054 /nfs/dbraw/zinc/61/60/54/388616054.db2.gz MEEUILSOYYPRNA-UHFFFAOYSA-N -1 3 241.762 3.524 20 0 BHADHM CCC[C@H](C)N(C)Cc1cccc([O-])c1Cl ZINC000328411308 388642364 /nfs/dbraw/zinc/64/23/64/388642364.db2.gz XMGKJUBXQIVSAT-JTQLQIEISA-N -1 3 241.762 3.666 20 0 BHADHM CCC[C@@H](C)N(C)Cc1cccc([O-])c1Cl ZINC000328411309 388642896 /nfs/dbraw/zinc/64/28/96/388642896.db2.gz XMGKJUBXQIVSAT-SNVBAGLBSA-N -1 3 241.762 3.666 20 0 BHADHM CC(C)CCN(C)Cc1cccc([O-])c1Cl ZINC000328468197 388415564 /nfs/dbraw/zinc/41/55/64/388415564.db2.gz MGARYTKWJYNRFL-UHFFFAOYSA-N -1 3 241.762 3.524 20 0 BHADHM CN(Cc1cccc([O-])c1Cl)CC(C)(C)C ZINC000328476057 388643644 /nfs/dbraw/zinc/64/36/44/388643644.db2.gz ONSGIUFUBPPMRW-UHFFFAOYSA-N -1 3 241.762 3.524 20 0 BHADHM CC(C)(C)CCNCc1cccc([O-])c1Cl ZINC000328489679 323204163 /nfs/dbraw/zinc/20/41/63/323204163.db2.gz RYHCXNIOOCBUSK-UHFFFAOYSA-N -1 3 241.762 3.571 20 0 BHADHM CCCC1(C(=O)Nc2ccc(C)cc2[O-])CCC1 ZINC000340031483 385689362 /nfs/dbraw/zinc/68/93/62/385689362.db2.gz COAVBLRIVLQTBV-UHFFFAOYSA-N -1 3 247.338 3.610 20 0 BHADHM CC1CCC(CC(=O)Nc2ccccc2[O-])CC1 ZINC000340121791 168152037 /nfs/dbraw/zinc/15/20/37/168152037.db2.gz PHKOJRTUSFYHOF-UHFFFAOYSA-N -1 3 247.338 3.547 20 0 BHADHM CC[C@H](C)CN(C)Cc1cccc([O-])c1Cl ZINC000381977644 367475555 /nfs/dbraw/zinc/47/55/55/367475555.db2.gz APDWYEMBZQDYAZ-JTQLQIEISA-N -1 3 241.762 3.524 20 0 BHADHM CC[C@@H](C)CN(C)Cc1cccc([O-])c1Cl ZINC000381977647 347006675 /nfs/dbraw/zinc/00/66/75/347006675.db2.gz APDWYEMBZQDYAZ-SNVBAGLBSA-N -1 3 241.762 3.524 20 0 BHADHM CCCN(Cc1cccc([O-])c1Cl)C(C)C ZINC000382187922 487532740 /nfs/dbraw/zinc/53/27/40/487532740.db2.gz HGLMCOCGFMOHGV-UHFFFAOYSA-N -1 3 241.762 3.666 20 0 BHADHM CC(C)[C@H](C)N(C)Cc1cccc([O-])c1Cl ZINC000382311160 397881359 /nfs/dbraw/zinc/88/13/59/397881359.db2.gz QDDAMTSOOOWFBU-JTQLQIEISA-N -1 3 241.762 3.522 20 0 BHADHM CC(C)[C@@H](C)N(C)Cc1cccc([O-])c1Cl ZINC000382311161 397881415 /nfs/dbraw/zinc/88/14/15/397881415.db2.gz QDDAMTSOOOWFBU-SNVBAGLBSA-N -1 3 241.762 3.522 20 0 BHADHM CCCC[C@H](C)c1nc(-c2ccc([O-])cc2)no1 ZINC000385411908 367826281 /nfs/dbraw/zinc/82/62/81/367826281.db2.gz SMHJWFUKGHPWKV-JTQLQIEISA-N -1 3 246.310 3.736 20 0 BHADHM CCCC[C@@H](C)c1nc(-c2ccc([O-])cc2)no1 ZINC000385411910 367826340 /nfs/dbraw/zinc/82/63/40/367826340.db2.gz SMHJWFUKGHPWKV-SNVBAGLBSA-N -1 3 246.310 3.736 20 0 BHADHM CCCCN(CC)Cc1cccc([O-])c1Cl ZINC000392962597 387305110 /nfs/dbraw/zinc/30/51/10/387305110.db2.gz PSNVRXWAVDPJQZ-UHFFFAOYSA-N -1 3 241.762 3.668 20 0 BHADHM CCC(C)(C)CNCc1cccc([O-])c1Cl ZINC000393221471 387875005 /nfs/dbraw/zinc/87/50/05/387875005.db2.gz CBDOPSDXHOIXNP-UHFFFAOYSA-N -1 3 241.762 3.571 20 0 BHADHM CCC(CC)c1noc(-c2cccc(C)c2[O-])n1 ZINC000395180042 386963444 /nfs/dbraw/zinc/96/34/44/386963444.db2.gz DOTSNEQCTVNOAL-UHFFFAOYSA-N -1 3 246.310 3.654 20 0 BHADHM CCC(CC)c1noc(-c2cc(C)ccc2[O-])n1 ZINC000395213847 262784779 /nfs/dbraw/zinc/78/47/79/262784779.db2.gz LMUIXEXEDZUNAX-UHFFFAOYSA-N -1 3 246.310 3.654 20 0 BHADHM C[C@H](c1nc(-c2ccc([O-])cc2)no1)C(C)(C)C ZINC000399131773 386419007 /nfs/dbraw/zinc/41/90/07/386419007.db2.gz RORZMERULDZLIF-SECBINFHSA-N -1 3 246.310 3.592 20 0 BHADHM C[C@@H](c1nc(-c2ccc([O-])cc2)no1)C(C)(C)C ZINC000399131774 386418921 /nfs/dbraw/zinc/41/89/21/386418921.db2.gz RORZMERULDZLIF-VIFPVBQESA-N -1 3 246.310 3.592 20 0 BHADHM Cc1nc(-c2ccccc2[O-])sc1C(C)C ZINC000400200221 344428268 /nfs/dbraw/zinc/42/82/68/344428268.db2.gz FIPGIDHSNUSZTJ-UHFFFAOYSA-N -1 3 233.336 3.948 20 0 BHADHM CC[C@H](CC(C)C)C(=O)Nc1c(C)cccc1[O-] ZINC000413663422 191403562 /nfs/dbraw/zinc/40/35/62/191403562.db2.gz BWLOQNMUASFXPT-GFCCVEGCSA-N -1 3 249.354 3.711 20 0 BHADHM CC[C@@H](CC(C)C)C(=O)Nc1c(C)cccc1[O-] ZINC000413663425 385854604 /nfs/dbraw/zinc/85/46/04/385854604.db2.gz BWLOQNMUASFXPT-LBPRGKRZSA-N -1 3 249.354 3.711 20 0 BHADHM CCCC(C)(C)CC(=O)Nc1c(C)cccc1[O-] ZINC000426952168 191049662 /nfs/dbraw/zinc/04/96/62/191049662.db2.gz VIKZLINGAJRLJH-UHFFFAOYSA-N -1 3 249.354 3.856 20 0 BHADHM CCC(=Cc1nc(-c2ccc([O-])cc2)no1)CC ZINC000436530840 201332291 /nfs/dbraw/zinc/33/22/91/201332291.db2.gz GILAUENKLWMABL-UHFFFAOYSA-N -1 3 244.294 3.646 20 0 BHADHM CC(C)(C)/C=C/c1nc(-c2ccc([O-])cc2)no1 ZINC000436815793 201338883 /nfs/dbraw/zinc/33/88/83/201338883.db2.gz YERPUNMOELBKDE-CMDGGOBGSA-N -1 3 244.294 3.502 20 0 BHADHM CC(C)(C)/C=C\c1nc(-c2ccc([O-])cc2)no1 ZINC000436815794 201339637 /nfs/dbraw/zinc/33/96/37/201339637.db2.gz YERPUNMOELBKDE-HJWRWDBZSA-N -1 3 244.294 3.502 20 0 BHADHM CC(C)C[C@H](C)c1nc(-c2ccc([O-])cc2)no1 ZINC000436868136 201337675 /nfs/dbraw/zinc/33/76/75/201337675.db2.gz GRIFOUPEGKQXSC-JTQLQIEISA-N -1 3 246.310 3.592 20 0 BHADHM CC(C)C[C@@H](C)c1nc(-c2ccc([O-])cc2)no1 ZINC000436868137 201339758 /nfs/dbraw/zinc/33/97/58/201339758.db2.gz GRIFOUPEGKQXSC-SNVBAGLBSA-N -1 3 246.310 3.592 20 0 BHADHM CC(C)Cc1csc(-c2ccccc2[O-])n1 ZINC000436891427 201339949 /nfs/dbraw/zinc/33/99/49/201339949.db2.gz INMMVKRQPTZFGI-UHFFFAOYSA-N -1 3 233.336 3.714 20 0 BHADHM C[C@H](c1noc(-c2ccccc2[O-])n1)C(C)(C)C ZINC000436935074 201342026 /nfs/dbraw/zinc/34/20/26/201342026.db2.gz ZTPVRPBPWWYXNA-SECBINFHSA-N -1 3 246.310 3.592 20 0 BHADHM C[C@@H](c1noc(-c2ccccc2[O-])n1)C(C)(C)C ZINC000436935075 201339978 /nfs/dbraw/zinc/33/99/78/201339978.db2.gz ZTPVRPBPWWYXNA-VIFPVBQESA-N -1 3 246.310 3.592 20 0 BHADHM CC1(c2csc(-c3ccccc3[O-])n2)CC1 ZINC000436984344 201341218 /nfs/dbraw/zinc/34/12/18/201341218.db2.gz APOKSXGCHIBDAT-UHFFFAOYSA-N -1 3 231.320 3.567 20 0 BHADHM [O-]c1ccccc1-c1nc(C2CCC2)cs1 ZINC000440518477 201485189 /nfs/dbraw/zinc/48/51/89/201485189.db2.gz KPWUENNQPYTBMY-UHFFFAOYSA-N -1 3 231.320 3.783 20 0 BHADHM CCC[C@@H]1CCC[C@@H]1C(=O)Nc1ccccc1[O-] ZINC000448765700 384529599 /nfs/dbraw/zinc/52/95/99/384529599.db2.gz ZWBTYDGTEGJJDG-NEPJUHHUSA-N -1 3 247.338 3.547 20 0 BHADHM CCC[C@H]1CCC[C@H]1C(=O)Nc1ccccc1[O-] ZINC000448765701 384529439 /nfs/dbraw/zinc/52/94/39/384529439.db2.gz ZWBTYDGTEGJJDG-NWDGAFQWSA-N -1 3 247.338 3.547 20 0 BHADHM CCC[C@H]1CCC[C@@H]1C(=O)Nc1ccccc1[O-] ZINC000448765702 384529923 /nfs/dbraw/zinc/52/99/23/384529923.db2.gz ZWBTYDGTEGJJDG-RYUDHWBXSA-N -1 3 247.338 3.547 20 0 BHADHM CCC[C@@H]1CCC[C@H]1C(=O)Nc1ccccc1[O-] ZINC000448765703 384529985 /nfs/dbraw/zinc/52/99/85/384529985.db2.gz ZWBTYDGTEGJJDG-VXGBXAGGSA-N -1 3 247.338 3.547 20 0 BHADHM CC(C)CCCCC(=O)Nc1ccccc1[O-] ZINC000457453956 203064739 /nfs/dbraw/zinc/06/47/39/203064739.db2.gz KQPPDUOZHNHHPH-UHFFFAOYSA-N -1 3 235.327 3.547 20 0 BHADHM Cc1cccc([O-])c1NC(=O)CCCCC(C)C ZINC000457692494 203089477 /nfs/dbraw/zinc/08/94/77/203089477.db2.gz LUDNSZVVUVUXNK-UHFFFAOYSA-N -1 3 249.354 3.856 20 0 BHADHM CCCC[C@@H](CC)C(=O)Nc1c(C)cccc1[O-] ZINC000468425456 528770980 /nfs/dbraw/zinc/77/09/80/528770980.db2.gz JMIZPVOCMUDSII-GFCCVEGCSA-N -1 3 249.354 3.856 20 0 BHADHM CCCC[C@H](CC)C(=O)Nc1c(C)cccc1[O-] ZINC000468425457 528902857 /nfs/dbraw/zinc/90/28/57/528902857.db2.gz JMIZPVOCMUDSII-LBPRGKRZSA-N -1 3 249.354 3.856 20 0 BHADHM CCC[C@](C)(CC)C(=O)Nc1ccc(C)cc1[O-] ZINC000474196675 528453275 /nfs/dbraw/zinc/45/32/75/528453275.db2.gz TZQWECOFOGMCIU-HNNXBMFYSA-N -1 3 249.354 3.856 20 0 BHADHM CCC[C@@](C)(CC)C(=O)Nc1ccc(C)cc1[O-] ZINC000474196676 527884333 /nfs/dbraw/zinc/88/43/33/527884333.db2.gz TZQWECOFOGMCIU-OAHLLOKOSA-N -1 3 249.354 3.856 20 0 BHADHM CCC[C@](C)(CC)C(=O)Nc1ccccc1[O-] ZINC000475028715 528453128 /nfs/dbraw/zinc/45/31/28/528453128.db2.gz DCJJNQJAGQVVLH-AWEZNQCLSA-N -1 3 235.327 3.547 20 0 BHADHM CCC[C@@](C)(CC)C(=O)Nc1ccccc1[O-] ZINC000475028722 527884543 /nfs/dbraw/zinc/88/45/43/527884543.db2.gz DCJJNQJAGQVVLH-CQSZACIVSA-N -1 3 235.327 3.547 20 0 BHADHM CC[C@@H]1CCCC[C@@H]1C(=O)Nc1ccccc1[O-] ZINC000475033056 529276688 /nfs/dbraw/zinc/27/66/88/529276688.db2.gz RNAFUAADDAPEPY-NEPJUHHUSA-N -1 3 247.338 3.547 20 0 BHADHM CC[C@H]1CCCC[C@H]1C(=O)Nc1ccccc1[O-] ZINC000475033058 529208677 /nfs/dbraw/zinc/20/86/77/529208677.db2.gz RNAFUAADDAPEPY-NWDGAFQWSA-N -1 3 247.338 3.547 20 0 BHADHM CC[C@H]1CCCC[C@@H]1C(=O)Nc1ccccc1[O-] ZINC000475033060 529203704 /nfs/dbraw/zinc/20/37/04/529203704.db2.gz RNAFUAADDAPEPY-RYUDHWBXSA-N -1 3 247.338 3.547 20 0 BHADHM CC[C@@H]1CCCC[C@H]1C(=O)Nc1ccccc1[O-] ZINC000475033062 529285551 /nfs/dbraw/zinc/28/55/51/529285551.db2.gz RNAFUAADDAPEPY-VXGBXAGGSA-N -1 3 247.338 3.547 20 0 BHADHM Cc1ccc(NC(=O)[C@H](C)CC(C)(C)C)c([O-])c1 ZINC000475275873 225130973 /nfs/dbraw/zinc/13/09/73/225130973.db2.gz RBNLYNBUGVMVRQ-LLVKDONJSA-N -1 3 249.354 3.711 20 0 BHADHM Cc1ccc(NC(=O)[C@@H](C)CC(C)(C)C)c([O-])c1 ZINC000475275874 225130198 /nfs/dbraw/zinc/13/01/98/225130198.db2.gz RBNLYNBUGVMVRQ-NSHDSACASA-N -1 3 249.354 3.711 20 0 BHADHM Cc1cccc([O-])c1NC(=O)[C@H](C)CC(C)(C)C ZINC000477623125 225161400 /nfs/dbraw/zinc/16/14/00/225161400.db2.gz UQNOBSWEFHDNHF-LLVKDONJSA-N -1 3 249.354 3.711 20 0 BHADHM Cc1cccc([O-])c1NC(=O)[C@@H](C)CC(C)(C)C ZINC000477623126 225161708 /nfs/dbraw/zinc/16/17/08/225161708.db2.gz UQNOBSWEFHDNHF-NSHDSACASA-N -1 3 249.354 3.711 20 0 BHADHM CCC[C@@H](C(=O)Nc1ccc(C)cc1[O-])C(C)C ZINC000481131675 528847960 /nfs/dbraw/zinc/84/79/60/528847960.db2.gz RYRNKKGTCJWNAL-GFCCVEGCSA-N -1 3 249.354 3.711 20 0 BHADHM CCC[C@H](C(=O)Nc1ccc(C)cc1[O-])C(C)C ZINC000481131676 527988112 /nfs/dbraw/zinc/98/81/12/527988112.db2.gz RYRNKKGTCJWNAL-LBPRGKRZSA-N -1 3 249.354 3.711 20 0 BHADHM CCCC(C)(C)CC(=O)Nc1ccc(C)cc1[O-] ZINC000486381693 527983074 /nfs/dbraw/zinc/98/30/74/527983074.db2.gz NXIFIBLRLDLXES-UHFFFAOYSA-N -1 3 249.354 3.856 20 0 BHADHM Cc1cccc([O-])c1NC(=O)C[C@@H](C)C(C)(C)C ZINC000490693800 388248007 /nfs/dbraw/zinc/24/80/07/388248007.db2.gz OPCGKQBYAAQZNP-LLVKDONJSA-N -1 3 249.354 3.711 20 0 BHADHM Cc1cccc([O-])c1NC(=O)C[C@H](C)C(C)(C)C ZINC000490693801 388248026 /nfs/dbraw/zinc/24/80/26/388248026.db2.gz OPCGKQBYAAQZNP-NSHDSACASA-N -1 3 249.354 3.711 20 0 BHADHM CCC(CC)[C@@H](C)C(=O)Nc1c(C)cccc1[O-] ZINC000490743703 388252638 /nfs/dbraw/zinc/25/26/38/388252638.db2.gz GFSLAUWKSLCHIT-LLVKDONJSA-N -1 3 249.354 3.711 20 0 BHADHM CCC(CC)[C@H](C)C(=O)Nc1c(C)cccc1[O-] ZINC000490743704 388253037 /nfs/dbraw/zinc/25/30/37/388253037.db2.gz GFSLAUWKSLCHIT-NSHDSACASA-N -1 3 249.354 3.711 20 0 BHADHM C/C=C(/C=C\C(=O)Nc1c(C)cccc1[O-])CC ZINC000492355325 388342288 /nfs/dbraw/zinc/34/22/88/388342288.db2.gz APOCDQUWTZZRAP-MMQHMWHNSA-N -1 3 245.322 3.552 20 0 BHADHM C/C=C(/C=C/C(=O)Nc1c(C)cccc1[O-])CC ZINC000492355326 388342314 /nfs/dbraw/zinc/34/23/14/388342314.db2.gz APOCDQUWTZZRAP-SVSYPLOBSA-N -1 3 245.322 3.552 20 0 BHADHM CCCC(C)(C)CC(=O)Nc1ccccc1[O-] ZINC000494813421 527985137 /nfs/dbraw/zinc/98/51/37/527985137.db2.gz PRKCPASZFHCOBM-UHFFFAOYSA-N -1 3 235.327 3.547 20 0 BHADHM CC(C)CC(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000501943680 527670618 /nfs/dbraw/zinc/67/06/18/527670618.db2.gz DCURYQKFBCMRJH-UHFFFAOYSA-N -1 3 249.354 3.674 20 0 BHADHM CC(C)(C)C(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000506234827 527606544 /nfs/dbraw/zinc/60/65/44/527606544.db2.gz YWUGPLWLWFDNOZ-UHFFFAOYSA-N -1 3 249.354 3.674 20 0 BHADHM CCCCC(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000506237861 528091655 /nfs/dbraw/zinc/09/16/55/528091655.db2.gz IGMXCVNMXOSDAR-UHFFFAOYSA-N -1 3 249.354 3.818 20 0 BHADHM CC[C@H](C)C(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000506256970 529637356 /nfs/dbraw/zinc/63/73/56/529637356.db2.gz XRCOAEMJDOIYEJ-JTQLQIEISA-N -1 3 249.354 3.674 20 0 BHADHM CC[C@@H](C)C(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000506256971 529303641 /nfs/dbraw/zinc/30/36/41/529303641.db2.gz XRCOAEMJDOIYEJ-SNVBAGLBSA-N -1 3 249.354 3.674 20 0 BHADHM Cc1ccccc1NCc1c(F)ccc([O-])c1F ZINC000509121801 534824057 /nfs/dbraw/zinc/82/40/57/534824057.db2.gz JBAMVFCUUAJHOB-UHFFFAOYSA-N -1 3 249.260 3.591 20 0 BHADHM Cc1cccc(NCc2c(F)ccc([O-])c2F)c1 ZINC000509134858 229264244 /nfs/dbraw/zinc/26/42/44/229264244.db2.gz FAQDAQOHTWTBEU-UHFFFAOYSA-N -1 3 249.260 3.591 20 0 BHADHM C[C@@H]1CCCC[C@H]1CC(=O)Nc1ccccc1[O-] ZINC000516379378 387502169 /nfs/dbraw/zinc/50/21/69/387502169.db2.gz BOKWJBYOMJUQAG-NEPJUHHUSA-N -1 3 247.338 3.547 20 0 BHADHM C[C@H]1CCCC[C@@H]1CC(=O)Nc1ccccc1[O-] ZINC000516379379 387502359 /nfs/dbraw/zinc/50/23/59/387502359.db2.gz BOKWJBYOMJUQAG-NWDGAFQWSA-N -1 3 247.338 3.547 20 0 BHADHM C[C@H]1CCCC[C@H]1CC(=O)Nc1ccccc1[O-] ZINC000516379380 387502424 /nfs/dbraw/zinc/50/24/24/387502424.db2.gz BOKWJBYOMJUQAG-RYUDHWBXSA-N -1 3 247.338 3.547 20 0 BHADHM C[C@@H]1CCCC[C@@H]1CC(=O)Nc1ccccc1[O-] ZINC000516379381 387501337 /nfs/dbraw/zinc/50/13/37/387501337.db2.gz BOKWJBYOMJUQAG-VXGBXAGGSA-N -1 3 247.338 3.547 20 0 BHADHM Cc1ccc(SCc2ncccc2[O-])c(C)c1 ZINC000516618557 256797299 /nfs/dbraw/zinc/79/72/99/256797299.db2.gz XFUTYZXJVBYBLA-UHFFFAOYSA-N -1 3 245.347 3.696 20 0 BHADHM Cc1ccc(SCc2ncccc2[O-])cc1C ZINC000516705432 385162151 /nfs/dbraw/zinc/16/21/51/385162151.db2.gz SEVDHHMWDRXNLC-UHFFFAOYSA-N -1 3 245.347 3.696 20 0 BHADHM CCC(CC)[C@@H](C)C(=O)Nc1ccc(C)cc1[O-] ZINC000535590716 323186461 /nfs/dbraw/zinc/18/64/61/323186461.db2.gz OCGXBFVMMUVVIQ-LLVKDONJSA-N -1 3 249.354 3.711 20 0 BHADHM CCC(CC)[C@H](C)C(=O)Nc1ccc(C)cc1[O-] ZINC000535590717 323186452 /nfs/dbraw/zinc/18/64/52/323186452.db2.gz OCGXBFVMMUVVIQ-NSHDSACASA-N -1 3 249.354 3.711 20 0 BHADHM C[C@H](CCC(C)(C)C)C(=O)Nc1ccccc1[O-] ZINC000543550328 325092990 /nfs/dbraw/zinc/09/29/90/325092990.db2.gz AUNDFWOEWFAMGH-LLVKDONJSA-N -1 3 249.354 3.793 20 0 BHADHM C[C@@H](CCC(C)(C)C)C(=O)Nc1ccccc1[O-] ZINC000543550329 325092739 /nfs/dbraw/zinc/09/27/39/325092739.db2.gz AUNDFWOEWFAMGH-NSHDSACASA-N -1 3 249.354 3.793 20 0 BHADHM CCCCCC(=O)Nc1c([O-])cccc1Cl ZINC000552782611 388736844 /nfs/dbraw/zinc/73/68/44/388736844.db2.gz WDXJCLIDAVEXTO-UHFFFAOYSA-N -1 3 241.718 3.564 20 0 BHADHM Cc1ccc(C)c(SCc2ncccc2[O-])c1 ZINC000556684246 322919168 /nfs/dbraw/zinc/91/91/68/322919168.db2.gz XWZIRVMYWMXPHE-UHFFFAOYSA-N -1 3 245.347 3.696 20 0 BHADHM CC(C)(C)CCCCC(=O)Nc1ccccc1[O-] ZINC000561084551 384486030 /nfs/dbraw/zinc/48/60/30/384486030.db2.gz JNRYTDIGHPUENM-UHFFFAOYSA-N -1 3 249.354 3.937 20 0 BHADHM Cc1ccc(NC(=O)CC2(C)CCCC2)c([O-])c1 ZINC000565897732 388978332 /nfs/dbraw/zinc/97/83/32/388978332.db2.gz JHCWSXMDCVCQLQ-UHFFFAOYSA-N -1 3 247.338 3.610 20 0 BHADHM [O-]c1cccnc1CSCC1CCCCC1 ZINC000571547591 385798307 /nfs/dbraw/zinc/79/83/07/385798307.db2.gz RYUJIIOICAADRO-UHFFFAOYSA-N -1 3 237.368 3.601 20 0 BHADHM Cc1ccccc1CSCc1ncccc1[O-] ZINC000575452047 365323702 /nfs/dbraw/zinc/32/37/02/365323702.db2.gz IVVSWHVWLBESHV-UHFFFAOYSA-N -1 3 245.347 3.529 20 0 BHADHM CC[C@H](CC(=O)Nc1ccc(C)cc1[O-])C(C)C ZINC000591422759 347657499 /nfs/dbraw/zinc/65/74/99/347657499.db2.gz MAPZOZVFSBMTLU-GFCCVEGCSA-N -1 3 249.354 3.711 20 0 BHADHM CC[C@@H](CC(=O)Nc1ccc(C)cc1[O-])C(C)C ZINC000591422760 347657508 /nfs/dbraw/zinc/65/75/08/347657508.db2.gz MAPZOZVFSBMTLU-LBPRGKRZSA-N -1 3 249.354 3.711 20 0 BHADHM [O-]c1ccc(Cl)c(CSCCCF)c1 ZINC000600622869 344342107 /nfs/dbraw/zinc/34/21/07/344342107.db2.gz OUVFZFOBINGKNM-UHFFFAOYSA-N -1 3 234.723 3.638 20 0 BHADHM CCCC[C@@H](CC)CC(=O)Nc1ccccc1[O-] ZINC000605021851 350239965 /nfs/dbraw/zinc/23/99/65/350239965.db2.gz XCPCOKAKZUFCQD-GFCCVEGCSA-N -1 3 249.354 3.937 20 0 BHADHM CCCC[C@H](CC)CC(=O)Nc1ccccc1[O-] ZINC000605021852 350240152 /nfs/dbraw/zinc/24/01/52/350240152.db2.gz XCPCOKAKZUFCQD-LBPRGKRZSA-N -1 3 249.354 3.937 20 0 BHADHM C[C@H](CC(=O)Nc1ccccc1[O-])CC(C)(C)C ZINC000613197286 360732778 /nfs/dbraw/zinc/73/27/78/360732778.db2.gz ADJBGQQGGSCEPS-LLVKDONJSA-N -1 3 249.354 3.793 20 0 BHADHM C[C@@H](CC(=O)Nc1ccccc1[O-])CC(C)(C)C ZINC000613197287 360732615 /nfs/dbraw/zinc/73/26/15/360732615.db2.gz ADJBGQQGGSCEPS-NSHDSACASA-N -1 3 249.354 3.793 20 0 BHADHM CCCC(C)(C)c1nc(-c2ccc([O-])cc2)no1 ZINC000650204669 397984478 /nfs/dbraw/zinc/98/44/78/397984478.db2.gz GOPBOGJRZFFDKA-UHFFFAOYSA-N -1 3 246.310 3.520 20 0 BHADHM CCC(CC)(CC)C(=O)Nc1ccc(C)cc1[O-] ZINC000675510841 487743785 /nfs/dbraw/zinc/74/37/85/487743785.db2.gz CPICAZQPQHPHNN-UHFFFAOYSA-N -1 3 249.354 3.856 20 0 BHADHM CCC(CC)(CC)C(=O)Nc1ccccc1[O-] ZINC000675511893 487743802 /nfs/dbraw/zinc/74/38/02/487743802.db2.gz YYLQZNAMSKBCMB-UHFFFAOYSA-N -1 3 235.327 3.547 20 0 BHADHM CC[C@@H](C)CCCCC(=O)Nc1ccccc1[O-] ZINC000680188367 487543259 /nfs/dbraw/zinc/54/32/59/487543259.db2.gz AOUJMKTUOBJHSL-GFCCVEGCSA-N -1 3 249.354 3.937 20 0 BHADHM CC[C@H](C)CCCCC(=O)Nc1ccccc1[O-] ZINC000680188368 487543199 /nfs/dbraw/zinc/54/31/99/487543199.db2.gz AOUJMKTUOBJHSL-LBPRGKRZSA-N -1 3 249.354 3.937 20 0 BHADHM CC(C)c1noc(-c2ccc(C(C)C)cc2[O-])n1 ZINC000680653066 487628801 /nfs/dbraw/zinc/62/88/01/487628801.db2.gz AQKZZNXXYWVUSH-UHFFFAOYSA-N -1 3 246.310 3.689 20 0 BHADHM CCC(C)(CC)c1nc(-c2ccc([O-])cc2)no1 ZINC000681024098 487700446 /nfs/dbraw/zinc/70/04/46/487700446.db2.gz PUMKUFJQIKVYRB-UHFFFAOYSA-N -1 3 246.310 3.520 20 0 BHADHM O=c1ccnc(C=Cc2cccc3ccccc23)[n-]1 ZINC000742221528 585123546 /nfs/dbraw/zinc/12/35/46/585123546.db2.gz MZDSXJBNQZJJHO-CMDGGOBGSA-N -1 3 248.285 3.506 20 0 BHADHM O=c1ccnc(C=Cc2cccc3ccccc23)[n-]1 ZINC000742221529 585123484 /nfs/dbraw/zinc/12/34/84/585123484.db2.gz MZDSXJBNQZJJHO-HJWRWDBZSA-N -1 3 248.285 3.506 20 0 BHADHM O=c1ccnc(C=Cc2ccc3ccccc3c2)[n-]1 ZINC000742221594 585030028 /nfs/dbraw/zinc/03/00/28/585030028.db2.gz PKNVWPAADLBDES-SOFGYWHQSA-N -1 3 248.285 3.506 20 0 BHADHM O=c1ccnc(C=Cc2ccc3ccccc3c2)[n-]1 ZINC000742221595 585030099 /nfs/dbraw/zinc/03/00/99/585030099.db2.gz PKNVWPAADLBDES-VURMDHGXSA-N -1 3 248.285 3.506 20 0 BHADHM CCCCCC[C@](C)(CCC)C(=O)[N-]OCC ZINC000742511519 585127432 /nfs/dbraw/zinc/12/74/32/585127432.db2.gz QWALZGQIZOOELY-AWEZNQCLSA-N -1 3 243.391 3.831 20 0 BHADHM CCCCCC[C@@](C)(CCC)C(=O)[N-]OCC ZINC000742511520 585127505 /nfs/dbraw/zinc/12/75/05/585127505.db2.gz QWALZGQIZOOELY-CQSZACIVSA-N -1 3 243.391 3.831 20 0 BHADHM CCCCC[C@@H](C)CC(=O)Nc1ccccc1[O-] ZINC000743293128 585134921 /nfs/dbraw/zinc/13/49/21/585134921.db2.gz RFKCQBWAAZZAQF-GFCCVEGCSA-N -1 3 249.354 3.937 20 0 BHADHM CCCCC[C@H](C)CC(=O)Nc1ccccc1[O-] ZINC000743293129 585134807 /nfs/dbraw/zinc/13/48/07/585134807.db2.gz RFKCQBWAAZZAQF-LBPRGKRZSA-N -1 3 249.354 3.937 20 0 BHADHM CCCCCC[C@@H](C)C(=O)Nc1ccccc1[O-] ZINC000743293308 585134718 /nfs/dbraw/zinc/13/47/18/585134718.db2.gz UWRHTMZJDQNBIL-GFCCVEGCSA-N -1 3 249.354 3.937 20 0 BHADHM CCCCCC[C@H](C)C(=O)Nc1ccccc1[O-] ZINC000743293309 585134764 /nfs/dbraw/zinc/13/47/64/585134764.db2.gz UWRHTMZJDQNBIL-LBPRGKRZSA-N -1 3 249.354 3.937 20 0 BHADHM CC(C)CCCCCC(=O)Nc1ccccc1[O-] ZINC000747936527 585186112 /nfs/dbraw/zinc/18/61/12/585186112.db2.gz VFQCMHZANRCCCK-UHFFFAOYSA-N -1 3 249.354 3.937 20 0 BHADHM CCC[C@@H](C)OC(=O)c1cc2ccsc2[n-]1 ZINC000748112699 585187427 /nfs/dbraw/zinc/18/74/27/585187427.db2.gz QGWXALIMEVZKHR-MRVPVSSYSA-N -1 3 237.324 3.575 20 0 BHADHM CCC[C@H](C)OC(=O)c1cc2ccsc2[n-]1 ZINC000748112700 585187136 /nfs/dbraw/zinc/18/71/36/585187136.db2.gz QGWXALIMEVZKHR-QMMMGPOBSA-N -1 3 237.324 3.575 20 0 BHADHM CC(=O)[N-]OCc1ccc(C(C)C)cc1C(C)C ZINC000753118779 585253885 /nfs/dbraw/zinc/25/38/85/585253885.db2.gz JFOCJBQKHXLDEN-UHFFFAOYSA-N -1 3 249.354 3.501 20 0 BHADHM CCCCCC(C)(C)C(=O)Nc1ccccc1[O-] ZINC000753330520 585257004 /nfs/dbraw/zinc/25/70/04/585257004.db2.gz NMYFXHYBQHPHOY-UHFFFAOYSA-N -1 3 249.354 3.937 20 0 BHADHM C/C=C(/C=C\C(=O)Nc1ccc(C)cc1[O-])CC ZINC000758078055 585348891 /nfs/dbraw/zinc/34/88/91/585348891.db2.gz XQYSCMCVYMPAEH-AYMHWXCPSA-N -1 3 245.322 3.552 20 0 BHADHM C/C=C(/C=C/C(=O)Nc1ccc(C)cc1[O-])CC ZINC000758078057 585349038 /nfs/dbraw/zinc/34/90/38/585349038.db2.gz XQYSCMCVYMPAEH-ZMYUOXORSA-N -1 3 245.322 3.552 20 0 BHADHM Cc1sc(/C=C/c2ccc([O-])cc2)cc1C=O ZINC000760266598 585388172 /nfs/dbraw/zinc/38/81/72/585388172.db2.gz WUDUZRKFUCDDLW-QPJJXVBHSA-N -1 3 244.315 3.745 20 0 BHADHM Cc1sc(/C=C/c2cccc([O-])c2)cc1C=O ZINC000760266727 585388294 /nfs/dbraw/zinc/38/82/94/585388294.db2.gz ZILHEZHSRNIEES-AATRIKPKSA-N -1 3 244.315 3.745 20 0 BHADHM CCC[C@H](C)c1noc(-c2cccc(C)c2[O-])n1 ZINC000761833559 585419816 /nfs/dbraw/zinc/41/98/16/585419816.db2.gz LNMAHZVHGUPDPG-JTQLQIEISA-N -1 3 246.310 3.654 20 0 BHADHM CCC[C@@H](C)c1noc(-c2cccc(C)c2[O-])n1 ZINC000761833560 585419649 /nfs/dbraw/zinc/41/96/49/585419649.db2.gz LNMAHZVHGUPDPG-SNVBAGLBSA-N -1 3 246.310 3.654 20 0 BHADHM CCC[C@H](C)c1noc(-c2cc(C)ccc2[O-])n1 ZINC000761841625 585419903 /nfs/dbraw/zinc/41/99/03/585419903.db2.gz GMXQTVHQQWYVOP-JTQLQIEISA-N -1 3 246.310 3.654 20 0 BHADHM CCC[C@@H](C)c1noc(-c2cc(C)ccc2[O-])n1 ZINC000761841628 585420022 /nfs/dbraw/zinc/42/00/22/585420022.db2.gz GMXQTVHQQWYVOP-SNVBAGLBSA-N -1 3 246.310 3.654 20 0 BHADHM CCC[C@H](C)c1noc(-c2ccc(C)cc2[O-])n1 ZINC000761851937 585420366 /nfs/dbraw/zinc/42/03/66/585420366.db2.gz PZLCUJQSEPBTOM-JTQLQIEISA-N -1 3 246.310 3.654 20 0 BHADHM CCC[C@@H](C)c1noc(-c2ccc(C)cc2[O-])n1 ZINC000761851939 585420376 /nfs/dbraw/zinc/42/03/76/585420376.db2.gz PZLCUJQSEPBTOM-SNVBAGLBSA-N -1 3 246.310 3.654 20 0 BHADHM CCC(CC)OC(=O)c1cc2ccsc2[n-]1 ZINC000762107693 585426751 /nfs/dbraw/zinc/42/67/51/585426751.db2.gz FAUPTOJRUPANNT-UHFFFAOYSA-N -1 3 237.324 3.575 20 0 BHADHM C/C(=C/C(=O)Nc1ccc(C)cc1[O-])C(C)(C)C ZINC000762786437 585437206 /nfs/dbraw/zinc/43/72/06/585437206.db2.gz FWGOCGVQLYQNPM-LUAWRHEFSA-N -1 3 247.338 3.632 20 0 BHADHM CC1(COC(=O)c2cc3ccsc3[n-]2)CCC1 ZINC000764125278 585460566 /nfs/dbraw/zinc/46/05/66/585460566.db2.gz NSTDWYTXJHGAPM-UHFFFAOYSA-N -1 3 249.335 3.576 20 0 BHADHM CC1(CCOC(=O)c2cc3ccsc3[n-]2)CC1 ZINC000764240224 585462750 /nfs/dbraw/zinc/46/27/50/585462750.db2.gz NAESTWHCZHOORT-UHFFFAOYSA-N -1 3 249.335 3.576 20 0 BHADHM CCCC(=CC(=O)Nc1ccccc1[O-])CCC ZINC000770689260 585580092 /nfs/dbraw/zinc/58/00/92/585580092.db2.gz PWWRGYQPEWHWHB-UHFFFAOYSA-N -1 3 247.338 3.857 20 0 BHADHM CCCC[C@@H](CC)CC(=O)[N-]Oc1ccccc1 ZINC000773471203 585637499 /nfs/dbraw/zinc/63/74/99/585637499.db2.gz YKPNIQLDHMLUHI-CYBMUJFWSA-N -1 3 249.354 3.703 20 0 BHADHM CCCC[C@H](CC)CC(=O)[N-]Oc1ccccc1 ZINC000773471204 585022457 /nfs/dbraw/zinc/02/24/57/585022457.db2.gz YKPNIQLDHMLUHI-ZDUSSCGKSA-N -1 3 249.354 3.703 20 0 BHADHM CCCCC[C@@H](C)CC(=O)[N-]OC1CCCC1 ZINC000774868769 585668319 /nfs/dbraw/zinc/66/83/19/585668319.db2.gz YVCSHCVXTJDJRP-GFCCVEGCSA-N -1 3 241.375 3.583 20 0 BHADHM CCCCC[C@H](C)CC(=O)[N-]OC1CCCC1 ZINC000774868773 585668079 /nfs/dbraw/zinc/66/80/79/585668079.db2.gz YVCSHCVXTJDJRP-LBPRGKRZSA-N -1 3 241.375 3.583 20 0 BHADHM CC(C)CCCCCC(=O)[N-]OC1CCCC1 ZINC000775269885 585674436 /nfs/dbraw/zinc/67/44/36/585674436.db2.gz JPYDEZUJRSUTHR-UHFFFAOYSA-N -1 3 241.375 3.583 20 0 BHADHM CCCCCC(C)(C)C(=O)[N-]OC1CCCC1 ZINC000775275106 585674664 /nfs/dbraw/zinc/67/46/64/585674664.db2.gz ATKDPTZFDSBPBD-UHFFFAOYSA-N -1 3 241.375 3.583 20 0 BHADHM CCCC[C@@H](CC)CC(=O)[N-]OC1CCCC1 ZINC000775275628 585674560 /nfs/dbraw/zinc/67/45/60/585674560.db2.gz HEQBNGIDSQZQLH-GFCCVEGCSA-N -1 3 241.375 3.583 20 0 BHADHM CCCC[C@H](CC)CC(=O)[N-]OC1CCCC1 ZINC000775275629 585674477 /nfs/dbraw/zinc/67/44/77/585674477.db2.gz HEQBNGIDSQZQLH-LBPRGKRZSA-N -1 3 241.375 3.583 20 0 BHADHM CCCCC[C@@H](CC)C(=O)Nc1ccccc1[O-] ZINC000775667922 585682704 /nfs/dbraw/zinc/68/27/04/585682704.db2.gz OLWXJENQCGHNDY-GFCCVEGCSA-N -1 3 249.354 3.937 20 0 BHADHM CCCCC[C@H](CC)C(=O)Nc1ccccc1[O-] ZINC000775667925 585682688 /nfs/dbraw/zinc/68/26/88/585682688.db2.gz OLWXJENQCGHNDY-LBPRGKRZSA-N -1 3 249.354 3.937 20 0 BHADHM CC(C)(C)CCCC(=O)[N-]OC1CCCCC1 ZINC000777948704 585724261 /nfs/dbraw/zinc/72/42/61/585724261.db2.gz FJLYABDPDXBELR-UHFFFAOYSA-N -1 3 241.375 3.583 20 0 BHADHM CC1(OC(=O)c2cc3ccsc3[n-]2)CCCC1 ZINC000778679379 585739038 /nfs/dbraw/zinc/73/90/38/585739038.db2.gz LOMRTSIRIAVIEU-UHFFFAOYSA-N -1 3 249.335 3.719 20 0 BHADHM CCCCCCC(=O)Nc1c(C)cccc1[O-] ZINC000778956354 585742594 /nfs/dbraw/zinc/74/25/94/585742594.db2.gz LKTAHVNPFPRMEY-UHFFFAOYSA-N -1 3 235.327 3.610 20 0 BHADHM C/C(=C/C(=O)Nc1c(C)cccc1[O-])C(C)(C)C ZINC000778959191 585743236 /nfs/dbraw/zinc/74/32/36/585743236.db2.gz VISIKWVKUAJLRP-LUAWRHEFSA-N -1 3 247.338 3.632 20 0 BHADHM C/C(=C\C(=O)Nc1c(C)cccc1[O-])C(C)(C)C ZINC000778959192 585743196 /nfs/dbraw/zinc/74/31/96/585743196.db2.gz VISIKWVKUAJLRP-PKNBQFBNSA-N -1 3 247.338 3.632 20 0 BHADHM C[C@@H]1CC[C@@H](OC(=O)c2cc3ccsc3[n-]2)C1 ZINC000779264928 585749232 /nfs/dbraw/zinc/74/92/32/585749232.db2.gz PADJZIKFAZHXBF-PSASIEDQSA-N -1 3 249.335 3.575 20 0 BHADHM C[C@@H]1CC[C@H](OC(=O)c2cc3ccsc3[n-]2)C1 ZINC000779264930 585749191 /nfs/dbraw/zinc/74/91/91/585749191.db2.gz PADJZIKFAZHXBF-SCZZXKLOSA-N -1 3 249.335 3.575 20 0 BHADHM C[C@H]1CC[C@@H](OC(=O)c2cc3ccsc3[n-]2)C1 ZINC000779264932 585749310 /nfs/dbraw/zinc/74/93/10/585749310.db2.gz PADJZIKFAZHXBF-WCBMZHEXSA-N -1 3 249.335 3.575 20 0 BHADHM C[C@H]1CC[C@H](OC(=O)c2cc3ccsc3[n-]2)C1 ZINC000779264934 585749292 /nfs/dbraw/zinc/74/92/92/585749292.db2.gz PADJZIKFAZHXBF-WPRPVWTQSA-N -1 3 249.335 3.575 20 0 BHADHM CCC(CC)(CC)C(=O)[N-]OC1CCCCC1 ZINC000779324025 585751224 /nfs/dbraw/zinc/75/12/24/585751224.db2.gz XOUXWTUCXBBHOI-UHFFFAOYSA-N -1 3 241.375 3.583 20 0 BHADHM CC[C@@H](C)CCCCC(=O)[N-]OC1CCCC1 ZINC000784693055 585865550 /nfs/dbraw/zinc/86/55/50/585865550.db2.gz ZICOZRVZRWZWEK-GFCCVEGCSA-N -1 3 241.375 3.583 20 0 BHADHM CC[C@H](C)CCCCC(=O)[N-]OC1CCCC1 ZINC000784693056 585865512 /nfs/dbraw/zinc/86/55/12/585865512.db2.gz ZICOZRVZRWZWEK-LBPRGKRZSA-N -1 3 241.375 3.583 20 0 BHADHM CCCC(C)(C)CC(=O)[N-]OC1CCCCC1 ZINC000785289706 585872395 /nfs/dbraw/zinc/87/23/95/585872395.db2.gz PWPCTDCBGGDQMJ-UHFFFAOYSA-N -1 3 241.375 3.583 20 0 BHADHM CCC[C@](C)(CC)C(=O)[N-]OC1CCCCC1 ZINC000793885260 586028531 /nfs/dbraw/zinc/02/85/31/586028531.db2.gz NLPPESMSHKKJKT-AWEZNQCLSA-N -1 3 241.375 3.583 20 0 BHADHM CCC[C@@](C)(CC)C(=O)[N-]OC1CCCCC1 ZINC000793885266 586028423 /nfs/dbraw/zinc/02/84/23/586028423.db2.gz NLPPESMSHKKJKT-CQSZACIVSA-N -1 3 241.375 3.583 20 0 BHADHM CC(C)=CC(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000800373664 586213881 /nfs/dbraw/zinc/21/38/81/586213881.db2.gz DQJDKDSLHMMJNI-UHFFFAOYSA-N -1 3 247.338 3.594 20 0 BHADHM C/C=C(/C)C(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000800648171 586226620 /nfs/dbraw/zinc/22/66/20/586226620.db2.gz RVMSPLJOFDGOTI-POHAHGRESA-N -1 3 247.338 3.594 20 0 BHADHM C/C=C(\C)C(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000800648172 586226594 /nfs/dbraw/zinc/22/65/94/586226594.db2.gz RVMSPLJOFDGOTI-UXBLZVDNSA-N -1 3 247.338 3.594 20 0 BHADHM CC(C)(C)CCCCC(=O)[N-]OC1CCCC1 ZINC000804535738 586399084 /nfs/dbraw/zinc/39/90/84/586399084.db2.gz OYLZACSOQGEABF-UHFFFAOYSA-N -1 3 241.375 3.583 20 0 BHADHM CCCCC[C@](C)(CC)C(=O)[N-]OC1CCC1 ZINC000812789840 586584788 /nfs/dbraw/zinc/58/47/88/586584788.db2.gz DZDIILJAAFBSFX-AWEZNQCLSA-N -1 3 241.375 3.583 20 0 BHADHM CCCCC[C@@](C)(CC)C(=O)[N-]OC1CCC1 ZINC000812789841 586584881 /nfs/dbraw/zinc/58/48/81/586584881.db2.gz DZDIILJAAFBSFX-CQSZACIVSA-N -1 3 241.375 3.583 20 0 BHADHM CCCCCC[C@@H](C)CC(=O)[N-]OC1CCC1 ZINC000812790757 586585011 /nfs/dbraw/zinc/58/50/11/586585011.db2.gz GVGDADZAFUWLSC-GFCCVEGCSA-N -1 3 241.375 3.583 20 0 BHADHM CCCCCC[C@H](C)CC(=O)[N-]OC1CCC1 ZINC000812790758 586584950 /nfs/dbraw/zinc/58/49/50/586584950.db2.gz GVGDADZAFUWLSC-LBPRGKRZSA-N -1 3 241.375 3.583 20 0 BHADHM CCC1(COC(=O)c2cc3ccsc3[n-]2)CC1 ZINC000816186142 586712821 /nfs/dbraw/zinc/71/28/21/586712821.db2.gz QHHWLLRJLWSCMU-UHFFFAOYSA-N -1 3 249.335 3.576 20 0 BHADHM CC[C@@H](C)CO[N-]C(=O)[C@@H](C)CCC(C)(C)C ZINC000816976203 584982375 /nfs/dbraw/zinc/98/23/75/584982375.db2.gz YMBXYJXHESRSRA-NEPJUHHUSA-N -1 3 243.391 3.543 20 0 BHADHM CC[C@H](C)CO[N-]C(=O)[C@H](C)CCC(C)(C)C ZINC000816976204 584982334 /nfs/dbraw/zinc/98/23/34/584982334.db2.gz YMBXYJXHESRSRA-NWDGAFQWSA-N -1 3 243.391 3.543 20 0 BHADHM CC[C@H](C)CO[N-]C(=O)[C@@H](C)CCC(C)(C)C ZINC000816976205 584982346 /nfs/dbraw/zinc/98/23/46/584982346.db2.gz YMBXYJXHESRSRA-RYUDHWBXSA-N -1 3 243.391 3.543 20 0 BHADHM CC[C@@H](C)CO[N-]C(=O)[C@H](C)CCC(C)(C)C ZINC000816976206 584982392 /nfs/dbraw/zinc/98/23/92/584982392.db2.gz YMBXYJXHESRSRA-VXGBXAGGSA-N -1 3 243.391 3.543 20 0 BHADHM CCCCC[C@@H](C)CC(=O)[N-]Oc1ccccc1 ZINC000820043114 587014419 /nfs/dbraw/zinc/01/44/19/587014419.db2.gz KPVZCNZCUWAOSB-CYBMUJFWSA-N -1 3 249.354 3.703 20 0 BHADHM CCCCC[C@H](C)CC(=O)[N-]Oc1ccccc1 ZINC000820043115 587014213 /nfs/dbraw/zinc/01/42/13/587014213.db2.gz KPVZCNZCUWAOSB-ZDUSSCGKSA-N -1 3 249.354 3.703 20 0 BHADHM [O-]c1cc(Cl)cc(-c2cnc(C3CC3)o2)c1 ZINC000863729487 589313403 /nfs/dbraw/zinc/31/34/03/589313403.db2.gz FAUMRMJICDJGGK-UHFFFAOYSA-N -1 3 235.670 3.578 20 0 BHADHM CC(C)(C)Cc1nnc([N-]c2cccc(F)c2)o1 ZINC000863980145 589332307 /nfs/dbraw/zinc/33/23/07/589332307.db2.gz BYADOISVMUXLJT-UHFFFAOYSA-N -1 3 249.289 3.541 20 0 BHADHM c1ccc([N-]c2nnc(CC3CCCC3)o2)cc1 ZINC000863980495 589332284 /nfs/dbraw/zinc/33/22/84/589332284.db2.gz IYQZCTCFKLBPFF-UHFFFAOYSA-N -1 3 243.310 3.546 20 0 BHADHM CC(C)CCc1nnc([N-]c2cccc(F)c2)o1 ZINC000863980559 583998594 /nfs/dbraw/zinc/99/85/94/583998594.db2.gz LUOGWYHLEYOSBF-UHFFFAOYSA-N -1 3 249.289 3.541 20 0 BHADHM Fc1cccc([N-]c2nnc(C3CCCC3)o2)c1 ZINC000863980921 589332491 /nfs/dbraw/zinc/33/24/91/589332491.db2.gz RZJCXBUCCRAGRT-UHFFFAOYSA-N -1 3 247.273 3.610 20 0 BHADHM CCC[C@@H](CC)Sc1cc(Cl)n[n-]c1=O ZINC000872533007 589947566 /nfs/dbraw/zinc/94/75/66/589947566.db2.gz KORITMGTZUZYMC-SSDOTTSWSA-N -1 3 246.763 3.506 20 0 BHADHM CCC[C@H](CC)Sc1cc(Cl)n[n-]c1=O ZINC000872533008 589947591 /nfs/dbraw/zinc/94/75/91/589947591.db2.gz KORITMGTZUZYMC-ZETCQYMHSA-N -1 3 246.763 3.506 20 0 BHADHM C[C@@H]1C[C@H]1c1csc(-c2ccccc2[O-])n1 ZINC000899242308 584185642 /nfs/dbraw/zinc/18/56/42/584185642.db2.gz UELFETIAOBMARQ-PSASIEDQSA-N -1 3 231.320 3.639 20 0 BHADHM C[C@@H]1C[C@@H]1c1csc(-c2ccccc2[O-])n1 ZINC000899242310 584185670 /nfs/dbraw/zinc/18/56/70/584185670.db2.gz UELFETIAOBMARQ-SCZZXKLOSA-N -1 3 231.320 3.639 20 0 BHADHM C[C@H]1C[C@H]1c1csc(-c2ccccc2[O-])n1 ZINC000899242312 584185599 /nfs/dbraw/zinc/18/55/99/584185599.db2.gz UELFETIAOBMARQ-WCBMZHEXSA-N -1 3 231.320 3.639 20 0 BHADHM C[C@H]1C[C@@H]1c1csc(-c2ccccc2[O-])n1 ZINC000899242314 584185494 /nfs/dbraw/zinc/18/54/94/584185494.db2.gz UELFETIAOBMARQ-WPRPVWTQSA-N -1 3 231.320 3.639 20 0 BHADHM [O-]c1ccc(-c2cnc(C3CC3)o2)c(Cl)c1 ZINC000904819440 637483645 /nfs/dbraw/zinc/48/36/45/637483645.db2.gz NQIAKBLGSQFAMB-UHFFFAOYSA-N -1 3 235.670 3.578 20 0 BHADHM