smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(CNc2ccc([C@H](C)CC(=O)[O-])cc2)ccc1C#N ZINC000417607267 335006968 /nfs/dbraw/zinc/00/69/68/335006968.db2.gz GDNGVEJRBYGNTG-CQSZACIVSA-N -1 0 308.381 4.057 20 30 DIEDRM Cc1cc(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)sc1C ZINC000041555963 183202215 /nfs/dbraw/zinc/20/22/15/183202215.db2.gz YVTVGSWLCLQMDO-LLVKDONJSA-N -1 0 324.327 4.269 20 30 DIEDRM N#Cc1ccc(F)c(-c2cc(C(=O)[O-])cc(C(F)(F)F)c2)c1 ZINC000065350565 184326674 /nfs/dbraw/zinc/32/66/74/184326674.db2.gz HQFCLMJRXJHTNV-UHFFFAOYSA-N -1 0 309.218 4.081 20 30 DIEDRM Cc1nc(C(C)C)oc1C([O-])=C(C#N)c1nccc2ccccc21 ZINC000569536054 332128504 /nfs/dbraw/zinc/12/85/04/332128504.db2.gz LIRKYKIGIDRVKW-OAHLLOKOSA-N -1 0 319.364 4.145 20 30 DIEDRM O=C([N-]S(=O)(=O)c1ccc2ccccc2c1)C1CCCCC1 ZINC000042233010 332238970 /nfs/dbraw/zinc/23/89/70/332238970.db2.gz LCYQUANHWJXPBG-UHFFFAOYSA-N -1 0 317.410 4.065 20 30 DIEDRM C=CCCCC(=O)Nc1cc(Cl)cc(Br)c1[O-] ZINC000531372457 333346918 /nfs/dbraw/zinc/34/69/18/333346918.db2.gz ISJJORJGYQUGCH-UHFFFAOYSA-N -1 0 318.598 4.103 20 30 DIEDRM CCc1oc(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)cc1C ZINC000161257486 333372255 /nfs/dbraw/zinc/37/22/55/333372255.db2.gz AAFQLLRQKRVDNN-LLVKDONJSA-N -1 0 322.286 4.054 20 30 DIEDRM CC(C)c1csc(C(C#N)=C([O-])c2ccc(C3CC3)cn2)n1 ZINC000532041909 334382471 /nfs/dbraw/zinc/38/24/71/334382471.db2.gz UVLSFZRIHVMHJO-CYBMUJFWSA-N -1 0 311.410 4.029 20 30 DIEDRM Cc1csc(C(C#N)=C([O-])c2ccc(-c3ccccc3)o2)n1 ZINC000344400365 335246166 /nfs/dbraw/zinc/24/61/66/335246166.db2.gz JABCISFJBFJMLL-ZDUSSCGKSA-N -1 0 308.362 4.202 20 30 DIEDRM CC(=O)c1ccc(C([O-])=C(C#N)c2nc(C(C)C)cs2)s1 ZINC000353876886 336445360 /nfs/dbraw/zinc/44/53/60/336445360.db2.gz NJBIHSLYPIZWAE-JTQLQIEISA-N -1 0 318.423 4.021 20 30 DIEDRM CSc1ccc(C([O-])=C(C#N)c2nc(C(C)C)cs2)cc1 ZINC000177758938 337157209 /nfs/dbraw/zinc/15/72/09/337157209.db2.gz RTEOHCMJETXXNZ-ZDUSSCGKSA-N -1 0 316.451 4.478 20 30 DIEDRM CSc1ccccc1C([O-])=C(C#N)c1nc(C(C)C)cs1 ZINC000177753480 337157290 /nfs/dbraw/zinc/15/72/90/337157290.db2.gz HIGBGBFHZIMRIQ-LBPRGKRZSA-N -1 0 316.451 4.478 20 30 DIEDRM CSc1ccc(C([O-])=C(C#N)c2nc(C(C)C)cs2)o1 ZINC000177761077 337157298 /nfs/dbraw/zinc/15/72/98/337157298.db2.gz SXLHKPSBUXEYAL-VIFPVBQESA-N -1 0 306.412 4.071 20 30 DIEDRM Cc1ccc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)s1 ZINC000430607167 338109641 /nfs/dbraw/zinc/10/96/41/338109641.db2.gz BLPIDMVAPWHTHD-SNVBAGLBSA-N -1 0 304.440 4.301 20 30 DIEDRM CC(C)(C)c1cnc(C(C#N)=C([O-])c2ccc(Cl)o2)s1 ZINC000430610191 338109934 /nfs/dbraw/zinc/10/99/34/338109934.db2.gz JYLXUHBYTNELHG-MRVPVSSYSA-N -1 0 308.790 4.177 20 30 DIEDRM Cc1cc(C#N)ccc1C([O-])=C(C#N)c1ncc(C(C)(C)C)s1 ZINC000430647461 338110433 /nfs/dbraw/zinc/11/04/33/338110433.db2.gz XYBOXCJBNWWFKQ-AWEZNQCLSA-N -1 0 323.421 4.111 20 30 DIEDRM CC(C)(C)c1nc(=N[C@H](CCCC#N)c2ccccc2)s[n-]1 ZINC000431492968 338132334 /nfs/dbraw/zinc/13/23/34/338132334.db2.gz GPOUYLJLGOAJJQ-CQSZACIVSA-N -1 0 314.458 4.105 20 30 DIEDRM N#Cc1csc(/C=C\c2nc3ccc(C(=O)[O-])cc3s2)c1 ZINC000431557165 338133721 /nfs/dbraw/zinc/13/37/21/338133721.db2.gz DVUUJHLNQBLDNT-RQOWECAXSA-N -1 0 312.375 4.098 20 30 DIEDRM C=C[C@@H](CC(=O)Nc1cccc(CCC(=O)[O-])c1)c1ccccc1 ZINC000431980664 338143123 /nfs/dbraw/zinc/14/31/23/338143123.db2.gz KEKZTTJPLUSMKX-INIZCTEOSA-N -1 0 323.392 4.002 20 30 DIEDRM C=CCC[C@@H](NC(=O)CC(CC)(CC)C(=O)[O-])c1ccccc1 ZINC000434932448 338228056 /nfs/dbraw/zinc/22/80/56/338228056.db2.gz HQXKKAJMMTVCDY-MRXNPFEDSA-N -1 0 317.429 4.091 20 30 DIEDRM C=CCC(C)(C)c1noc(-c2ccc(Br)cc2[O-])n1 ZINC000436565572 338277237 /nfs/dbraw/zinc/27/72/37/338277237.db2.gz NNNUXQIQUOMILU-UHFFFAOYSA-N -1 0 323.190 4.058 20 30 DIEDRM C=C[C@@H](CC(=O)Nc1cc(C(=O)CC)ccc1[O-])c1ccccc1 ZINC000436646721 338281230 /nfs/dbraw/zinc/28/12/30/338281230.db2.gz HKJWFLSSJAXILW-AWEZNQCLSA-N -1 0 323.392 4.283 20 30 DIEDRM C=CCN(Cc1ccccc1F)C(=O)c1ccc([O-])c(Cl)c1 ZINC000436690492 338283045 /nfs/dbraw/zinc/28/30/45/338283045.db2.gz QVWHHFMFHDAIIK-UHFFFAOYSA-N -1 0 319.763 4.013 20 30 DIEDRM C=CCC[C@@H](C(=O)Nc1cc(C(C)=O)ccc1[O-])c1ccccc1 ZINC000436827246 338288847 /nfs/dbraw/zinc/28/88/47/338288847.db2.gz SRLBHGVFXGJURO-QGZVFWFLSA-N -1 0 323.392 4.283 20 30 DIEDRM C=CCCN(C)C(=O)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC000436836796 338289284 /nfs/dbraw/zinc/28/92/84/338289284.db2.gz FCDSAOYXXDBBSD-UHFFFAOYSA-N -1 0 315.800 4.361 20 30 DIEDRM C=C(C)[C@@H](CC(=O)Nc1cc(Cl)cc(Cl)c1[O-])OCC ZINC000544814584 341094341 /nfs/dbraw/zinc/09/43/41/341094341.db2.gz BGVQKLIDZNOIRN-GFCCVEGCSA-N -1 0 318.200 4.009 20 30 DIEDRM N#CCc1cccc(Nc2ccc(C(=O)[O-])c(C(F)(F)F)c2)c1 ZINC001211489506 1035568997 /nfs/dbraw/zinc/56/89/97/1035568997.db2.gz AOVRPQNXAZSIFG-UHFFFAOYSA-N -1 0 320.270 4.213 20 30 DIEDRM O=C(/C=C/c1ccc([N+](=O)[O-])c([O-])c1)c1cccc2ccccc21 ZINC000748148287 1036961023 /nfs/dbraw/zinc/96/10/23/1036961023.db2.gz MXTLMRMHDWIWBP-PKNBQFBNSA-N -1 0 319.316 4.350 20 30 DIEDRM O=C([O-])c1csc(/C=C2\CCc3c(Cl)cccc3C2=O)c1 ZINC000782206698 1037325086 /nfs/dbraw/zinc/32/50/86/1037325086.db2.gz JNEMOQKOTBIBJK-RMKNXTFCSA-N -1 0 318.781 4.312 20 30 DIEDRM CSc1ccc(C([O-])=C(C#N)c2ccc3ccccc3n2)o1 ZINC000602493457 1038018845 /nfs/dbraw/zinc/01/88/45/1038018845.db2.gz JZCXEXCLXQVHDG-GFCCVEGCSA-N -1 0 308.362 4.040 20 30 DIEDRM C=CCCOc1ccccc1-c1nc(C(=O)[O-])c(C2CC2)s1 ZINC000514798711 1038359513 /nfs/dbraw/zinc/35/95/13/1038359513.db2.gz MRKFZNOYLVUBOJ-UHFFFAOYSA-N -1 0 315.394 4.341 20 30 DIEDRM CC(C)c1occc1C([O-])=C(C#N)c1ccc2ccccc2n1 ZINC000684629848 1038413428 /nfs/dbraw/zinc/41/34/28/1038413428.db2.gz IRSNHQKCRIWSBC-OAHLLOKOSA-N -1 0 304.349 4.441 20 30 DIEDRM CC(C)c1occc1C([O-])=C(C#N)c1ccc2ccccc2n1 ZINC000684629847 1038413883 /nfs/dbraw/zinc/41/38/83/1038413883.db2.gz IRSNHQKCRIWSBC-HNNXBMFYSA-N -1 0 304.349 4.441 20 30 DIEDRM CCCOc1cccc(/C=C/C(=O)c2ccc([O-])c(F)c2)c1 ZINC000728438123 1038483832 /nfs/dbraw/zinc/48/38/32/1038483832.db2.gz AJDJNQQWINJEPB-SOFGYWHQSA-N -1 0 300.329 4.216 20 30 DIEDRM COc1ccc(/C=C\C(=O)c2ccc([O-])c(F)c2)c(Cl)c1 ZINC000728439157 1038486234 /nfs/dbraw/zinc/48/62/34/1038486234.db2.gz VRDFBDJCJLUBKH-UTCJRWHESA-N -1 0 306.720 4.089 20 30 DIEDRM CCc1cccc2c(/C=C\C(=O)c3ccc([O-])c(F)c3)c[nH]c21 ZINC000728438812 1038486667 /nfs/dbraw/zinc/48/66/67/1038486667.db2.gz PFSWTXKYWJANGH-FPLPWBNLSA-N -1 0 309.340 4.471 20 30 DIEDRM CCN(CC)c1ccc(/C=C\C(=O)c2ccc([O-])c(F)c2)cc1 ZINC000728438969 1038486723 /nfs/dbraw/zinc/48/67/23/1038486723.db2.gz RWAPOZLKEHFZDV-XFFZJAGNSA-N -1 0 313.372 4.274 20 30 DIEDRM O=C(/C=C\c1ccccc1C(F)(F)F)c1ccc([O-])c(F)c1 ZINC000728438519 1038487720 /nfs/dbraw/zinc/48/77/20/1038487720.db2.gz GUQRDRRPSMPVQL-ALCCZGGFSA-N -1 0 310.246 4.446 20 30 DIEDRM Cc1csc(C(C#N)=C([O-])C=Cc2ccc(Cl)s2)n1 ZINC000048787777 1038721638 /nfs/dbraw/zinc/72/16/38/1038721638.db2.gz IAGUJHBGUJXTDQ-YWNRKNDBSA-N -1 0 308.815 4.056 20 30 DIEDRM CCC(CC)CC(=O)C(C#N)=C([O-])c1c(C)[nH]c2ccccc21 ZINC000151534693 1039304755 /nfs/dbraw/zinc/30/47/55/1039304755.db2.gz KHXLUVUMQFLEQA-OAHLLOKOSA-N -1 0 310.397 4.194 20 30 DIEDRM Cc1ccc(Nc2c(C)cc(C#N)cc2Cl)cc1C(=O)[O-] ZINC001211601928 1039500110 /nfs/dbraw/zinc/50/01/10/1039500110.db2.gz SPYZLOYELRYAPA-UHFFFAOYSA-N -1 0 300.745 4.270 20 30 DIEDRM O=C([O-])c1cc(N=NC2CCC[C@@H]2CCCF)ccc1Cl ZINC000800805057 1039869698 /nfs/dbraw/zinc/86/96/98/1039869698.db2.gz INHCQGWUUMAHRV-SNVBAGLBSA-N -1 0 312.772 4.356 20 30 DIEDRM O=C(/C=C/c1nc2ccc(F)cc2s1)c1ccc(F)cc1[O-] ZINC000761479037 1039999253 /nfs/dbraw/zinc/99/92/53/1039999253.db2.gz JFAHUIHYOFMFOA-AATRIKPKSA-N -1 0 317.316 4.176 20 30 DIEDRM Cc1cc(Cl)cc(C([O-])=C(C#N)c2nc3ccccc3o2)c1 ZINC000177698912 1040135536 /nfs/dbraw/zinc/13/55/36/1040135536.db2.gz UQRITQORWXYNKC-ZDUSSCGKSA-N -1 0 310.740 4.280 20 30 DIEDRM CC(C)c1ccc(C([O-])=C(C#N)c2nc(C3CC3)cs2)cn1 ZINC000647378682 1040382375 /nfs/dbraw/zinc/38/23/75/1040382375.db2.gz QRGDBTLPVDAQHO-ZDUSSCGKSA-N -1 0 311.410 4.029 20 30 DIEDRM CCc1ccsc1C([O-])=C(C#N)c1nc(C2CC2)cs1 ZINC000647377446 1040385287 /nfs/dbraw/zinc/38/52/87/1040385287.db2.gz KJEVGWXVWXOTOC-NSHDSACASA-N -1 0 302.424 4.134 20 30 DIEDRM N#CC(=C([O-])c1cc2occc2s1)c1nc(C2CC2)cs1 ZINC000647378024 1040388171 /nfs/dbraw/zinc/38/81/71/1040388171.db2.gz KCZUELYDGCPKSB-SECBINFHSA-N -1 0 314.391 4.318 20 30 DIEDRM O=C([O-])c1ccc(NN=Cc2c(Cl)cccc2Cl)cc1 ZINC000725422144 1040504872 /nfs/dbraw/zinc/50/48/72/1040504872.db2.gz CGFIOKANZPJVOV-UHFFFAOYSA-N -1 0 309.152 4.138 20 30 DIEDRM CC(C)Sc1ccccc1C(=O)Nc1cc(C#N)ccc1[O-] ZINC000179739735 1040525567 /nfs/dbraw/zinc/52/55/67/1040525567.db2.gz NYLTVVWJKQABRX-UHFFFAOYSA-N -1 0 312.394 4.017 20 30 DIEDRM CCOCC(C)(C)C/N=C/c1cc(Cl)cc(Cl)c1[O-] ZINC000809145155 1041098443 /nfs/dbraw/zinc/09/84/43/1041098443.db2.gz YIPSSYUJSSDKDT-REZTVBANSA-N -1 0 304.217 4.181 20 30 DIEDRM O=C(/C=C\c1ccccc1OC(F)F)c1ccc([O-])c(F)c1 ZINC000255902042 1041116289 /nfs/dbraw/zinc/11/62/89/1041116289.db2.gz VYNFEJGDICNJSU-ALCCZGGFSA-N -1 0 308.255 4.029 20 30 DIEDRM Cc1cc(Nc2sc3c(c2C#N)CCCC3)ccc1C(=O)[O-] ZINC001211648248 1041365524 /nfs/dbraw/zinc/36/55/24/1041365524.db2.gz XVYZTMDEJDMGNZ-UHFFFAOYSA-N -1 0 312.394 4.249 20 30 DIEDRM O=C(/C=C\c1cccc(-c2ccccn2)c1)c1ccc([O-])c(F)c1 ZINC000747694170 1041501839 /nfs/dbraw/zinc/50/18/39/1041501839.db2.gz UBFRYJTXBGIQCF-CLFYSBASSA-N -1 0 319.335 4.489 20 30 DIEDRM CC(C)(C)C[C@H](/N=C/c1cc([N+](=O)[O-])ccc1[O-])C(F)(F)F ZINC000182047933 1041562828 /nfs/dbraw/zinc/56/28/28/1041562828.db2.gz FMZNKZLHAGPSKA-MEBUONCMSA-N -1 0 318.295 4.086 20 30 DIEDRM N#CCCC[C@H](/N=C/c1cc([N+](=O)[O-])ccc1[O-])c1ccccc1 ZINC000814184360 1041787486 /nfs/dbraw/zinc/78/74/86/1041787486.db2.gz ZZHIHYGWEWDTPD-NNIWKIFQSA-N -1 0 323.352 4.154 20 30 DIEDRM COCc1ccccc1C=C(C)C=CC(=O)c1sccc1[O-] ZINC000814189315 1041789312 /nfs/dbraw/zinc/78/93/12/1041789312.db2.gz ANWHDSWFWKFMNW-DYYHYMPESA-N -1 0 314.406 4.443 20 30 DIEDRM Cc1cc(Nc2cccc(C(F)(F)F)c2C#N)ccc1C(=O)[O-] ZINC001211658270 1041810605 /nfs/dbraw/zinc/81/06/05/1041810605.db2.gz HEQQIFBSIKDVAU-UHFFFAOYSA-N -1 0 320.270 4.327 20 30 DIEDRM Cc1cc(Nc2cc(C#N)ccc2C(F)(F)F)ccc1C(=O)[O-] ZINC001211658730 1041815549 /nfs/dbraw/zinc/81/55/49/1041815549.db2.gz WUAWBDYPCQUUPQ-UHFFFAOYSA-N -1 0 320.270 4.327 20 30 DIEDRM CC(CC1(C(=O)[O-])CCC1)N=Nc1ccc(Cl)c(Cl)c1 ZINC000814796658 1041867361 /nfs/dbraw/zinc/86/73/61/1041867361.db2.gz KDEBHXHGWOETTK-UHFFFAOYSA-N -1 0 315.200 4.426 20 30 DIEDRM CC(=NNc1cccc(Cl)c1F)c1csc(C(=O)[O-])c1 ZINC000814819252 1041870335 /nfs/dbraw/zinc/87/03/35/1041870335.db2.gz YRSQWBDVFSCCCF-UHFFFAOYSA-N -1 0 312.753 4.075 20 30 DIEDRM Cc1ccc([N+](=O)[O-])cc1N=NC(C)CCCCCCC(=O)[O-] ZINC000814824372 1041871787 /nfs/dbraw/zinc/87/17/87/1041871787.db2.gz TVBOKUJAGRPPQJ-UHFFFAOYSA-N -1 0 321.377 4.116 20 30 DIEDRM O=C([O-])C1CCC(=NNCc2ccc(-c3ccccc3)cc2)CC1 ZINC000814863303 1041879121 /nfs/dbraw/zinc/87/91/21/1041879121.db2.gz IVKNIYUGDPKNBV-UHFFFAOYSA-N -1 0 322.408 4.074 20 30 DIEDRM CC(=NNCc1cccc(Cl)c1)[C@H](C)CCCCC(=O)[O-] ZINC000814867905 1041880056 /nfs/dbraw/zinc/88/00/56/1041880056.db2.gz QIKULIGSQHYMFI-GFCCVEGCSA-N -1 0 310.825 4.087 20 30 DIEDRM COc1cc(C(=O)[O-])ccc1N=NC[C@H](C)C1CCCCC1 ZINC000814887014 1041883291 /nfs/dbraw/zinc/88/32/91/1041883291.db2.gz MLKBQYVIYSUVKJ-LBPRGKRZSA-N -1 0 304.390 4.008 20 30 DIEDRM COc1cc(C(=O)[O-])ccc1N=NC[C@@H](C)C1CCCCC1 ZINC000814887013 1041883502 /nfs/dbraw/zinc/88/35/02/1041883502.db2.gz MLKBQYVIYSUVKJ-GFCCVEGCSA-N -1 0 304.390 4.008 20 30 DIEDRM CC(N=Nc1c(F)cccc1Cl)c1cc(C(=O)[O-])cs1 ZINC000814904864 1041887014 /nfs/dbraw/zinc/88/70/14/1041887014.db2.gz BXGDDDWVPXUFDM-UHFFFAOYSA-N -1 0 312.753 4.075 20 30 DIEDRM C[C@@H]1C(N=Nc2cc(Cl)cc(Cl)c2)CC[C@@H]1CC(=O)[O-] ZINC000814913940 1041892442 /nfs/dbraw/zinc/89/24/42/1041892442.db2.gz ZCEWUSHCIUKDSE-DTWKUNHWSA-N -1 0 315.200 4.282 20 30 DIEDRM C[C@H]1C(N=Nc2cc(Cl)cc(Cl)c2)CC[C@@H]1CC(=O)[O-] ZINC000814913942 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/nfs/dbraw/zinc/68/15/39/1050681539.db2.gz RTCOHIAJNNMFJO-UHFFFAOYSA-N -1 0 319.364 4.078 20 30 DIEDRM COc1ccc(/C=C\C(=O)c2csc(C(=O)[O-])c2)cc1Cl ZINC000741467378 1050683199 /nfs/dbraw/zinc/68/31/99/1050683199.db2.gz MXKDDSHXUAFNKS-RQOWECAXSA-N -1 0 322.769 4.004 20 30 DIEDRM CSc1ccc(C(C)=NNc2ccccc2C(=O)[O-])cc1F ZINC000741756402 1050736290 /nfs/dbraw/zinc/73/62/90/1050736290.db2.gz JEYGGHIGRWGSAT-UHFFFAOYSA-N -1 0 318.373 4.082 20 30 DIEDRM O=C(/C=C/c1cc2cc(F)ccc2o1)c1ccc([O-])c(F)c1 ZINC000741841660 1050751404 /nfs/dbraw/zinc/75/14/04/1050751404.db2.gz NTEHIYJPRRBBRB-HWKANZROSA-N -1 0 300.260 4.313 20 30 DIEDRM CCOc1ccc(C(=O)[O-])cc1Nc1cccc(Cl)c1C#N ZINC001214276616 1050861498 /nfs/dbraw/zinc/86/14/98/1050861498.db2.gz OUVCJQIEHGERSG-UHFFFAOYSA-N -1 0 316.744 4.052 20 30 DIEDRM N#Cc1ccc(Nc2cc(F)c([O-])c(Cl)c2)c2cccnc12 ZINC001214493933 1050925314 /nfs/dbraw/zinc/92/53/14/1050925314.db2.gz CYQDFBGKXVASKQ-UHFFFAOYSA-N -1 0 313.719 4.348 20 30 DIEDRM N#Cc1sccc1Nc1c(Cl)cc(C(=O)[O-])cc1Cl ZINC001214511698 1050929712 /nfs/dbraw/zinc/92/97/12/1050929712.db2.gz FZGFTQQKSNWEOB-UHFFFAOYSA-N -1 0 313.165 4.368 20 30 DIEDRM CC(C)(C)c1cnc(/C=C/C(=O)c2ccc(F)cc2[O-])s1 ZINC000790601013 1050977069 /nfs/dbraw/zinc/97/70/69/1050977069.db2.gz QJBWFDKSQUWLDQ-VOTSOKGWSA-N -1 0 305.374 4.181 20 30 DIEDRM Cc1cccc(F)c1C/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000743041583 1050977712 /nfs/dbraw/zinc/97/77/12/1050977712.db2.gz BHVIRSXJEVBGBT-CNHKJKLMSA-N -1 0 322.723 4.020 20 30 DIEDRM N#Cc1ccc(F)c(C/N=C/c2cc(Cl)cc(Cl)c2[O-])c1 ZINC000743043187 1050978877 /nfs/dbraw/zinc/97/88/77/1050978877.db2.gz SYKGSCBCIIAYHL-DNTJNYDQSA-N -1 0 323.154 4.329 20 30 DIEDRM CC(C=CC(=O)c1sccc1[O-])=Cc1cccc([N+](=O)[O-])c1 ZINC000773142909 1051079794 /nfs/dbraw/zinc/07/97/94/1051079794.db2.gz IKDMFEDHBGRDQA-ZMLXFWSASA-N -1 0 315.350 4.204 20 30 DIEDRM COc1cccc2cc(C=CC(=O)c3sccc3[O-])oc21 ZINC000773144103 1051081594 /nfs/dbraw/zinc/08/15/94/1051081594.db2.gz XLGCSHTWDPLIAK-AATRIKPKSA-N -1 0 300.335 4.105 20 30 DIEDRM O=C(C=Cc1ccc(Br)s1)c1sccc1[O-] ZINC000773149771 1051082148 /nfs/dbraw/zinc/08/21/48/1051082148.db2.gz NWNNWZBQWTVZOG-HNQUOIGGSA-N -1 0 315.213 4.174 20 30 DIEDRM O=C(C=Cc1ccc(Cl)nc1Cl)c1sccc1[O-] ZINC000773149053 1051082368 /nfs/dbraw/zinc/08/23/68/1051082368.db2.gz KIWXJQRUZDPIPH-IWQZZHSRSA-N -1 0 300.166 4.052 20 30 DIEDRM O=C(C=Cc1cccc(-c2cccnc2)c1)c1sccc1[O-] ZINC000773152166 1051083435 /nfs/dbraw/zinc/08/34/35/1051083435.db2.gz ZPGVZHQWVZDANF-SREVYHEPSA-N -1 0 307.374 4.412 20 30 DIEDRM N#Cc1cccc2c(Nc3ccc(F)c(C(=O)[O-])c3F)cccc12 ZINC001215278952 1051148006 /nfs/dbraw/zinc/14/80/06/1051148006.db2.gz SEVGOIPNWWYTKY-UHFFFAOYSA-N -1 0 324.286 4.431 20 30 DIEDRM N#Cc1ccc(C(F)(F)F)cc1Nc1ccsc1C(=O)[O-] ZINC001215393914 1051186274 /nfs/dbraw/zinc/18/62/74/1051186274.db2.gz AEECSTSGNPEEEU-UHFFFAOYSA-N -1 0 312.272 4.080 20 30 DIEDRM Cc1c(Cl)c(C#N)ccc1Nc1cc(F)c(F)c(C(=O)[O-])c1 ZINC001215469415 1051212493 /nfs/dbraw/zinc/21/24/93/1051212493.db2.gz VRTDVYNKJIMEOJ-UHFFFAOYSA-N -1 0 322.698 4.240 20 30 DIEDRM N#Cc1ccc(F)c(Nc2cc(C(=O)[O-])cc(C(F)(F)F)c2)c1 ZINC001215643049 1051283130 /nfs/dbraw/zinc/28/31/30/1051283130.db2.gz YYFXMUKJEJBNJL-UHFFFAOYSA-N -1 0 324.233 4.158 20 30 DIEDRM CCC(C)(C)CC(=O)C(C#N)=C([O-])c1c(C)[nH]c2ccccc21 ZINC000745948276 1051296173 /nfs/dbraw/zinc/29/61/73/1051296173.db2.gz HKQGYCLJEMRQSP-CQSZACIVSA-N -1 0 310.397 4.194 20 30 DIEDRM Cc1c(Cl)c(Nc2cc(F)c(C#N)cc2F)ccc1C(=O)[O-] ZINC001215691961 1051305146 /nfs/dbraw/zinc/30/51/46/1051305146.db2.gz ALJDJRINPKRBCJ-UHFFFAOYSA-N -1 0 322.698 4.240 20 30 DIEDRM Cc1c(Cl)c(Nc2c(F)cc(F)cc2C#N)ccc1C(=O)[O-] ZINC001215692630 1051306716 /nfs/dbraw/zinc/30/67/16/1051306716.db2.gz NWHFPOIGZNTNIL-UHFFFAOYSA-N -1 0 322.698 4.240 20 30 DIEDRM Cc1c(Cl)c(Nc2ccc(F)c(C#N)c2F)ccc1C(=O)[O-] ZINC001215692996 1051306843 /nfs/dbraw/zinc/30/68/43/1051306843.db2.gz WQFBZBIYDPNVHT-UHFFFAOYSA-N -1 0 322.698 4.240 20 30 DIEDRM Cc1ccc(Nc2ccc(Cl)c(C(=O)[O-])c2F)c(C#N)c1 ZINC001215697708 1051310241 /nfs/dbraw/zinc/31/02/41/1051310241.db2.gz DMMJIADISSXXCN-UHFFFAOYSA-N -1 0 304.708 4.101 20 30 DIEDRM CC(C)Oc1c(F)ccc(Nc2cc(C#N)c(F)cc2[O-])c1F ZINC001215731299 1051331698 /nfs/dbraw/zinc/33/16/98/1051331698.db2.gz WULGCWCKMIZIKF-UHFFFAOYSA-N -1 0 322.286 4.212 20 30 DIEDRM CC(C)c1csc(C(C#N)=C([O-])C=Cc2ccccc2F)n1 ZINC000747197309 1051456607 /nfs/dbraw/zinc/45/66/07/1051456607.db2.gz DFYGXJMDLYOSNN-MEJMFZKBSA-N -1 0 314.385 4.295 20 30 DIEDRM Cc1cc(Cl)ccc1C([O-])=C(C#N)c1nc2ccccc2o1 ZINC000178108354 1051560229 /nfs/dbraw/zinc/56/02/29/1051560229.db2.gz OTFOZKPIVBSCFH-ZDUSSCGKSA-N -1 0 310.740 4.280 20 30 DIEDRM Cc1cc(Cl)ccc1C([O-])=C(C#N)c1nc2ccccc2o1 ZINC000178108342 1051560928 /nfs/dbraw/zinc/56/09/28/1051560928.db2.gz OTFOZKPIVBSCFH-CYBMUJFWSA-N -1 0 310.740 4.280 20 30 DIEDRM Cc1ccc(-n2ncc(C#N)c2Nc2ccc(Cl)c([O-])c2)cc1 ZINC001212588014 1051581403 /nfs/dbraw/zinc/58/14/03/1051581403.db2.gz FPQXVTAYBNNCLR-UHFFFAOYSA-N -1 0 324.771 4.155 20 30 DIEDRM N#Cc1cc(Nc2cccc(-c3ccncc3)c2)c([O-])cc1F ZINC001216149123 1051604814 /nfs/dbraw/zinc/60/48/14/1051604814.db2.gz ZZYGBYDWJJJPCK-UHFFFAOYSA-N -1 0 305.312 4.209 20 30 DIEDRM N#CCOc1ccc(NCc2cc(Cl)cc(Cl)c2[O-])cc1 ZINC000021009282 1051613479 /nfs/dbraw/zinc/61/34/79/1051613479.db2.gz RKQQRMZEQHPOFW-UHFFFAOYSA-N -1 0 323.179 4.213 20 30 DIEDRM N#Cc1cccc(Nc2cc(C(=O)[O-])c(Cl)cc2Cl)c1 ZINC001216359114 1051717568 /nfs/dbraw/zinc/71/75/68/1051717568.db2.gz BUBOMSVJBXZZGJ-UHFFFAOYSA-N -1 0 307.136 4.307 20 30 DIEDRM N#Cc1ccc(F)c(Nc2ccc3[n-]c(=S)sc3c2)c1 ZINC001214599277 1051722215 /nfs/dbraw/zinc/72/22/15/1051722215.db2.gz KIJHHPXONQRVBJ-UHFFFAOYSA-N -1 0 301.371 4.339 20 30 DIEDRM CC(C)(C)c1cnc(/C=C\C(=O)c2cccc(C(=O)[O-])c2)s1 ZINC000806558915 1051817849 /nfs/dbraw/zinc/81/78/49/1051817849.db2.gz PFIQNUYOHLTYOT-FPLPWBNLSA-N -1 0 315.394 4.035 20 30 DIEDRM CC(=C\c1ccccc1)/C=C1\C[C@H](C(=O)[O-])c2ccccc2C1=O ZINC000806560325 1051818070 /nfs/dbraw/zinc/81/80/70/1051818070.db2.gz KVGNYNCENLQRGJ-FXLWJOCDSA-N -1 0 318.372 4.471 20 30 DIEDRM O=C([O-])c1cccc(C(=O)/C=C/c2cc(F)cc(Cl)c2)c1 ZINC000806558980 1051818671 /nfs/dbraw/zinc/81/86/71/1051818671.db2.gz RCLNZGGTALZCCA-SNAWJCMRSA-N -1 0 304.704 4.073 20 30 DIEDRM CC(C)Oc1ccc(/C=C\C(=O)c2cccc(C(=O)[O-])c2)cc1 ZINC000806558992 1051818871 /nfs/dbraw/zinc/81/88/71/1051818871.db2.gz RHGGIAAWYNRFCT-FLIBITNWSA-N -1 0 310.349 4.068 20 30 DIEDRM CCCc1cccc(/C=C2/C[C@H](C(=O)[O-])c3ccccc3C2=O)c1 ZINC000806561648 1051819461 /nfs/dbraw/zinc/81/94/61/1051819461.db2.gz XNKLVGOFAUUDPQ-UIRWJGRMSA-N -1 0 320.388 4.477 20 30 DIEDRM O=C([O-])[C@@H]1C/C(=C\c2cccc(Cl)c2)C(=O)c2ccccc21 ZINC000806560883 1051820287 /nfs/dbraw/zinc/82/02/87/1051820287.db2.gz PLQUKYQDUAZAMJ-OQRGYWNNSA-N -1 0 312.752 4.178 20 30 DIEDRM Cc1ccc(C)c(/C=C2\C[C@@H](C(=O)[O-])c3ccccc3C2=O)c1 ZINC000806561266 1051820297 /nfs/dbraw/zinc/82/02/97/1051820297.db2.gz SPZLUJSKNTUQQN-SPQRHKFCSA-N -1 0 306.361 4.142 20 30 DIEDRM O=C([O-])c1ccc(C(=O)/C=C/c2ccc(F)cc2Cl)s1 ZINC000767723493 1051841295 /nfs/dbraw/zinc/84/12/95/1051841295.db2.gz VSGKJOWCTFVKBK-DUXPYHPUSA-N -1 0 310.733 4.135 20 30 DIEDRM O=C([O-])c1cc(C(=O)/C=C\c2ccc(F)cc2Cl)cs1 ZINC000767728841 1051843298 /nfs/dbraw/zinc/84/32/98/1051843298.db2.gz JMSIGEUAJHVUPK-RQOWECAXSA-N -1 0 310.733 4.135 20 30 DIEDRM Cc1c(Nc2ccc(C#N)c3ccccc23)cccc1C(=O)[O-] ZINC001216660239 1051855785 /nfs/dbraw/zinc/85/57/85/1051855785.db2.gz HEPKMBHBFAKAMJ-UHFFFAOYSA-N -1 0 302.333 4.462 20 30 DIEDRM Cc1c(Nc2cc(C#N)ccc2C(F)(F)F)cccc1C(=O)[O-] ZINC001216661242 1051856119 /nfs/dbraw/zinc/85/61/19/1051856119.db2.gz CWQUZGNINLRPBY-UHFFFAOYSA-N -1 0 320.270 4.327 20 30 DIEDRM CC(C)(C/N=C/c1cc(Cl)cc(Cl)c1[O-])c1ccncc1 ZINC000768270016 1051913271 /nfs/dbraw/zinc/91/32/71/1051913271.db2.gz UZHNIHVCECGWAJ-AWQFTUOYSA-N -1 0 323.223 4.491 20 30 DIEDRM COc1ccc2cc(Nc3cc(C#N)c(F)cc3[O-])ccc2c1 ZINC001174033088 1051960662 /nfs/dbraw/zinc/96/06/62/1051960662.db2.gz VVLZNKCGFMBSLQ-UHFFFAOYSA-N -1 0 308.312 4.308 20 30 DIEDRM COCc1ccccc1C/N=C/c1cc(Cl)cc(Cl)c1[O-] ZINC000914558518 1052161926 /nfs/dbraw/zinc/16/19/26/1052161926.db2.gz YBSICJDKJRXLND-DJKKODMXSA-N -1 0 324.207 4.465 20 30 DIEDRM N#Cc1cc(Nc2cc(F)ccc2C(F)(F)F)c([O-])cc1F ZINC001174486275 1052171500 /nfs/dbraw/zinc/17/15/00/1052171500.db2.gz LILPHBWOAXIXSJ-UHFFFAOYSA-N -1 0 314.213 4.304 20 30 DIEDRM C[C@H](/N=C/c1cc([N+](=O)[O-])ccc1[O-])c1ccc(Cl)s1 ZINC000914703111 1052220933 /nfs/dbraw/zinc/22/09/33/1052220933.db2.gz OPLLRNZRTADZEN-CUXJQWCSSA-N -1 0 310.762 4.195 20 30 DIEDRM [O-]c1c(Cl)cc(Cl)cc1/C=N/C[C@H]1Cc2ccccc2O1 ZINC000914702054 1052221334 /nfs/dbraw/zinc/22/13/34/1052221334.db2.gz VPBNQCFMFVXCPX-KMDAILJESA-N -1 0 322.191 4.122 20 30 DIEDRM Cc1cc(C)c(/C=C/C(=O)c2ccc(CC(=O)[O-])cc2)cc1C ZINC000915106670 1052347515 /nfs/dbraw/zinc/34/75/15/1052347515.db2.gz SYUYJZQJCIDLLY-CMDGGOBGSA-N -1 0 308.377 4.135 20 30 DIEDRM O=C1c2cc(Cl)ccc2C/C1=C\c1cc(F)c([O-])c(F)c1 ZINC000762446513 1052383297 /nfs/dbraw/zinc/38/32/97/1052383297.db2.gz JBGLGOZSGXXCBQ-XCVCLJGOSA-N -1 0 306.695 4.146 20 30 DIEDRM O=C([O-])c1ccccc1C=NNc1c(Cl)cccc1Cl ZINC000763179986 1052526796 /nfs/dbraw/zinc/52/67/96/1052526796.db2.gz NFAZYJPKQBCQQO-UHFFFAOYSA-N -1 0 309.152 4.138 20 30 DIEDRM C=CC[C@H](C=C)OC(F)(F)c1ccccc1/C(Cl)=N/[O-] ZINC001222938129 1052548960 /nfs/dbraw/zinc/54/89/60/1052548960.db2.gz ALGSKZMMNOZCOC-ZPEMJIOOSA-N -1 0 301.720 4.258 20 30 DIEDRM C[C@@H](OC(F)(F)c1ccccc1/C(Cl)=N/[O-])C1CCC1 ZINC001222939624 1052549185 /nfs/dbraw/zinc/54/91/85/1052549185.db2.gz GFTLXWMCKTUFEK-IKDMFBPHSA-N -1 0 303.736 4.316 20 30 DIEDRM C[C@@H]1CC[C@H](OC(F)(F)c2ccccc2/C(Cl)=N/[O-])C1 ZINC001222940588 1052550193 /nfs/dbraw/zinc/55/01/93/1052550193.db2.gz VGRRDZBEEQAVJB-KOAXCMLSSA-N -1 0 303.736 4.316 20 30 DIEDRM O=C1c2cccc3c2[C@@H](CCC3)/C1=C\c1cc([O-])ccc1[N+](=O)[O-] ZINC000763287703 1052556503 /nfs/dbraw/zinc/55/65/03/1052556503.db2.gz DOYVMPZAQRAMLY-KNGSKEOJSA-N -1 0 321.332 4.000 20 30 DIEDRM 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318.251 4.107 20 30 DIEDRM CC(C)(C)c1cnc(/C=C/C(=O)c2cccc(C(=O)[O-])c2)s1 ZINC000806558914 1051818322 /nfs/dbraw/zinc/81/83/22/1051818322.db2.gz PFIQNUYOHLTYOT-BQYQJAHWSA-N -1 0 315.394 4.035 20 30 DIEDRM O=C([O-])c1cccc(C(=O)/C=C\c2cc(F)cc(Cl)c2)c1 ZINC000806558979 1051818876 /nfs/dbraw/zinc/81/88/76/1051818876.db2.gz RCLNZGGTALZCCA-PLNGDYQASA-N -1 0 304.704 4.073 20 30 DIEDRM Cc1ccc(/C=C2/C[C@H](C(=O)[O-])c3ccccc3C2=O)c(C)c1 ZINC000806561655 1051820653 /nfs/dbraw/zinc/82/06/53/1051820653.db2.gz XWHDNGBWHVETCA-BXBOZWQASA-N -1 0 306.361 4.142 20 30 DIEDRM O=C1c2ccc([O-])c(F)c2C/C1=C\c1ccc(F)cc1Cl ZINC000806575304 1051823876 /nfs/dbraw/zinc/82/38/76/1051823876.db2.gz XELBRUVXQYMGIF-WEVVVXLNSA-N -1 0 306.695 4.146 20 30 DIEDRM Cc1c(Nc2cc(C#N)cc(C(F)(F)F)c2)cccc1C(=O)[O-] ZINC001216661253 1051856224 /nfs/dbraw/zinc/85/62/24/1051856224.db2.gz DGIUIXRBQRPDIJ-UHFFFAOYSA-N -1 0 320.270 4.327 20 30 DIEDRM Cc1c(Nc2ccc(C#N)c(Cl)c2F)cccc1C(=O)[O-] ZINC001216662500 1051857828 /nfs/dbraw/zinc/85/78/28/1051857828.db2.gz DPCJYLAFQZKFTK-UHFFFAOYSA-N -1 0 304.708 4.101 20 30 DIEDRM CC(C)(C)c1ccc(-c2noc(-c3cccc(C#N)c3[O-])n2)cc1 ZINC001216979630 1051925800 /nfs/dbraw/zinc/92/58/00/1051925800.db2.gz FNHCKHHJZKTVBM-UHFFFAOYSA-N -1 0 319.364 4.278 20 30 DIEDRM COc1ccc(/C=C\C(=O)c2ccc([O-])c(Cl)c2)cc1F ZINC000768752895 1051961629 /nfs/dbraw/zinc/96/16/29/1051961629.db2.gz QSAHJOFQHRSJKQ-DJWKRKHSSA-N -1 0 306.720 4.089 20 30 DIEDRM COc1ccc(C)cc1/C=C\C(=O)c1ccc([O-])c(Cl)c1 ZINC000768753670 1051962632 /nfs/dbraw/zinc/96/26/32/1051962632.db2.gz ZAURGPMMSPPVES-WAYWQWQTSA-N -1 0 302.757 4.259 20 30 DIEDRM O=C(/C=C\c1ccc(-n2cccn2)cc1)c1ccc([O-])c(Cl)c1 ZINC000768757719 1051963604 /nfs/dbraw/zinc/96/36/04/1051963604.db2.gz QDDVVFKDEWBXOA-YWEYNIOJSA-N -1 0 324.767 4.127 20 30 DIEDRM O=C(/C=C/c1cc(F)c(F)cc1F)c1ccc([O-])c(Cl)c1 ZINC000768759304 1051963921 /nfs/dbraw/zinc/96/39/21/1051963921.db2.gz ZJIQHORWZPFGIY-HNQUOIGGSA-N -1 0 312.674 4.359 20 30 DIEDRM CCCCCCCCC/C=C\C(=O)N1CCC(C(=O)[O-])CC1 ZINC000769474763 1052066033 /nfs/dbraw/zinc/06/60/33/1052066033.db2.gz AMLCUISCHUGSSK-KHPPLWFESA-N -1 0 309.450 4.007 20 30 DIEDRM CC(=NNc1cc(C(F)(F)F)ccc1F)c1sccc1[O-] ZINC000769798694 1052112344 /nfs/dbraw/zinc/11/23/44/1052112344.db2.gz DHYGKYIHXCZXMD-UHFFFAOYSA-N -1 0 318.295 4.448 20 30 DIEDRM CC(N=Nc1c(F)cccc1Cl)c1cccc(C(=O)[O-])c1 ZINC000769826297 1052114659 /nfs/dbraw/zinc/11/46/59/1052114659.db2.gz DGDAHPKHTAIPBB-UHFFFAOYSA-N -1 0 306.724 4.013 20 30 DIEDRM CCC(CC)[C@@H](C)C(=O)C(C#N)=C([O-])c1c(C)[nH]c2ccccc21 ZINC000762019664 1052289166 /nfs/dbraw/zinc/28/91/66/1052289166.db2.gz YDKAXLQRLPVDMH-WBMJQRKESA-N -1 0 324.424 4.440 20 30 DIEDRM CCC(CC)[C@H](C)C(=O)C(C#N)=C([O-])c1c(C)[nH]c2ccccc21 ZINC000762019654 1052289190 /nfs/dbraw/zinc/28/91/90/1052289190.db2.gz YDKAXLQRLPVDMH-BLLLJJGKSA-N -1 0 324.424 4.440 20 30 DIEDRM CSc1ccc(C([O-])=C(C#N)c2nc3ccccc3o2)cc1 ZINC000193279259 1052292545 /nfs/dbraw/zinc/29/25/45/1052292545.db2.gz PHFOBBMAQQKFJP-ZDUSSCGKSA-N -1 0 308.362 4.040 20 30 DIEDRM CC(C)c1ccc(/C=C/C(=O)c2ccc(CC(=O)[O-])cc2)cc1 ZINC000915106731 1052348485 /nfs/dbraw/zinc/34/84/85/1052348485.db2.gz UTBMJXGMOLIHBS-KPKJPENVSA-N -1 0 308.377 4.333 20 30 DIEDRM CC(C)c1nc(/C=C/C(=O)c2ccc([O-])c(F)c2)c2ccccn21 ZINC000762605757 1052407429 /nfs/dbraw/zinc/40/74/29/1052407429.db2.gz YUWGYZYMWMWFKK-VQHVLOKHSA-N -1 0 324.355 4.199 20 30 DIEDRM N#CC1(c2ccccc2-c2c(F)cc(C(=O)[O-])cc2F)CCC1 ZINC001222418993 1052498329 /nfs/dbraw/zinc/49/83/29/1052498329.db2.gz XEMQESFPVZNCHJ-UHFFFAOYSA-N -1 0 313.303 4.275 20 30 DIEDRM C=CC[C@@H](C=C)OC(F)(F)c1ccccc1/C(Cl)=N/[O-] ZINC001222938128 1052548754 /nfs/dbraw/zinc/54/87/54/1052548754.db2.gz ALGSKZMMNOZCOC-IQRLKCEISA-N -1 0 301.720 4.258 20 30 DIEDRM [O-]/N=C(\Cl)c1ccccc1C(F)(F)O[C@@H]1C=CCCC1 ZINC001222940341 1052548979 /nfs/dbraw/zinc/54/89/79/1052548979.db2.gz ROJZKXCLDAIPLY-IQRLKCEISA-N -1 0 301.720 4.236 20 30 DIEDRM CC#CC[C@H](CC)OC(F)(F)c1ccccc1/C(Cl)=N/[O-] ZINC001222939127 1052549002 /nfs/dbraw/zinc/54/90/02/1052549002.db2.gz UPGKAHXWJXNUBB-UXNQKTKSSA-N -1 0 315.747 4.319 20 30 DIEDRM C[C@H]1CCC[C@@H]1OC(F)(F)c1ccccc1/C(Cl)=N/[O-] ZINC001222939487 1052549199 /nfs/dbraw/zinc/54/91/99/1052549199.db2.gz CFHBEBYMZANTBJ-RXQALXEQSA-N -1 0 303.736 4.316 20 30 DIEDRM Cc1ccc(C(=O)/C=C\c2ccc(OCCC(=O)[O-])cc2)cc1C ZINC000915980908 1052573505 /nfs/dbraw/zinc/57/35/05/1052573505.db2.gz AGWSTCWKAKVVOJ-POHAHGRESA-N -1 0 324.376 4.053 20 30 DIEDRM O=C([O-])Cc1ccc(C(=O)/C=C/c2csc3ccccc23)cc1 ZINC000915988454 1052577161 /nfs/dbraw/zinc/57/71/61/1052577161.db2.gz WTIXSVQDNHKJPQ-MDZDMXLPSA-N -1 0 322.385 4.425 20 30 DIEDRM O=C(/C=C\c1ccc([O-])c([N+](=O)[O-])c1)c1ccc2c(c1)CCCC2 ZINC000916134125 1052590802 /nfs/dbraw/zinc/59/08/02/1052590802.db2.gz DNPFOXSMCHQYDL-UITAMQMPSA-N -1 0 323.348 4.075 20 30 DIEDRM Cc1ccccc1C(=O)/C=C\c1ccc(O)c(Br)c1 ZINC000916155968 1052592709 /nfs/dbraw/zinc/59/27/09/1052592709.db2.gz SJRAWIHFOPTDSZ-VURMDHGXSA-N -1 0 317.182 4.359 20 30 DIEDRM CC(=NNc1ccc(C(=O)[O-])cc1)c1cccc2ccccc21 ZINC000916240916 1052596161 /nfs/dbraw/zinc/59/61/61/1052596161.db2.gz VRXIVBWMLVZWHM-UHFFFAOYSA-N -1 0 304.349 4.374 20 30 DIEDRM Cc1ccc(C=NNc2ccc(Cl)c(C(=O)[O-])c2)c(C)c1 ZINC000916259278 1052597239 /nfs/dbraw/zinc/59/72/39/1052597239.db2.gz AZTGGLHBSNEPPE-UHFFFAOYSA-N -1 0 302.761 4.101 20 30 DIEDRM CC(=NNc1ccc(Cl)c(C(=O)[O-])c1)c1ccc(C)cc1 ZINC000916259514 1052597339 /nfs/dbraw/zinc/59/73/39/1052597339.db2.gz MMGORJLIKOWNPU-UHFFFAOYSA-N -1 0 302.761 4.183 20 30 DIEDRM CC(=NNc1ccc(Cl)c(C(=O)[O-])c1)c1cc(F)ccc1F ZINC000916259553 1052597386 /nfs/dbraw/zinc/59/73/86/1052597386.db2.gz ONVQRWRUNQHPEO-UHFFFAOYSA-N -1 0 324.714 4.153 20 30 DIEDRM CC(C)=CCC[C@@H](C)CC=Nn1c(=S)[n-]nc1C(F)(F)F ZINC000916304844 1052602254 /nfs/dbraw/zinc/60/22/54/1052602254.db2.gz DJROGXYLMFKQNI-SNVBAGLBSA-N -1 0 320.384 4.192 20 30 DIEDRM COc1ccc([C@H](C)O/C(=N\[O-])c2ccc(Cl)cc2)c(F)c1 ZINC001223593341 1052617738 /nfs/dbraw/zinc/61/77/38/1052617738.db2.gz JFBQYNUDRHDEFS-YWYLPVMWSA-N -1 0 323.751 4.401 20 30 DIEDRM CCC(=NNc1cccc(C(=O)[O-])c1)c1cccc(Cl)c1 ZINC000916606100 1052618998 /nfs/dbraw/zinc/61/89/98/1052618998.db2.gz KJGNOEYRSGVKMI-UHFFFAOYSA-N -1 0 302.761 4.264 20 30 DIEDRM CC1CCC(O/C(=N\O)c2ccccc2Br)CC1 ZINC001223884497 1052646960 /nfs/dbraw/zinc/64/69/60/1052646960.db2.gz LIEQQRVZHKFGKB-PEZBUJJGSA-N -1 0 312.207 4.180 20 30 DIEDRM CC[C@H](O/C(=N\O)c1ccccc1Br)C(C)(C)C ZINC001223884493 1052647107 /nfs/dbraw/zinc/64/71/07/1052647107.db2.gz LHNVEOSBCLKENE-OFEBGVABSA-N -1 0 314.223 4.426 20 30 DIEDRM CCC[C@@H](C)[C@H](O/C(=N\[O-])c1cc(OC)ccc1OC)C(C)C ZINC001223891503 1052647885 /nfs/dbraw/zinc/64/78/85/1052647885.db2.gz LXJPVBNAHYUARI-GPLPZEECSA-N -1 0 323.433 4.317 20 30 DIEDRM CCC[C@@H]1CCCC[C@H]1O/C(=N\[O-])c1cc(OC)ccc1OC ZINC001223892022 1052648083 /nfs/dbraw/zinc/64/80/83/1052648083.db2.gz YRMUNKZXPDDMQM-PCXBOJNVSA-N -1 0 321.417 4.215 20 30 DIEDRM CCC[C@H]1CCCC[C@H]1O/C(=N\[O-])c1cc(OC)ccc1OC ZINC001223892020 1052648215 /nfs/dbraw/zinc/64/82/15/1052648215.db2.gz YRMUNKZXPDDMQM-APQWFKGBSA-N -1 0 321.417 4.215 20 30 DIEDRM CCC[C@H](C)[C@@H](CC)O/C(=N\[O-])c1cc(OC)ccc1OC ZINC001223891697 1052648386 /nfs/dbraw/zinc/64/83/86/1052648386.db2.gz QQDKOZSOLCJIOC-ZQFZRKHZSA-N -1 0 309.406 4.071 20 30 DIEDRM C=CCOc1ccccc1[C@H](C)Oc1cc([O-])ccc1[N+](=O)[O-] ZINC001225491062 1052795667 /nfs/dbraw/zinc/79/56/67/1052795667.db2.gz LURHBLDLPJLHKH-LBPRGKRZSA-N -1 0 315.325 4.005 20 30 DIEDRM C=CCOc1ccccc1[C@H](C)Oc1cccc([O-])c1[N+](=O)[O-] ZINC001225620162 1052809164 /nfs/dbraw/zinc/80/91/64/1052809164.db2.gz OAZLEYXDBOICTG-LBPRGKRZSA-N -1 0 315.325 4.005 20 30 DIEDRM N#CCc1cc(F)cc(-c2ccc(Cl)c(C(=O)[O-])c2F)c1 ZINC001236178952 1052860205 /nfs/dbraw/zinc/86/02/05/1052860205.db2.gz RKGINNRICIRHFV-UHFFFAOYSA-N -1 0 307.683 4.049 20 30 DIEDRM C[C@H](Oc1[n-]c(=O)c(F)cc1C#N)c1ccc2ccccc2c1 ZINC001226013322 1052860270 /nfs/dbraw/zinc/86/02/70/1052860270.db2.gz LPAVQTIQYGIEFL-NSHDSACASA-N -1 0 308.312 4.091 20 30 DIEDRM C[C@@H](Oc1[n-]c(=O)c(F)cc1C#N)c1cc2ccccc2s1 ZINC001226013709 1052860605 /nfs/dbraw/zinc/86/06/05/1052860605.db2.gz QVVVERGVWZRFJW-SECBINFHSA-N -1 0 314.341 4.153 20 30 DIEDRM O=C([O-])c1cccc(NN=Cc2ccccc2OC2CCCC2)c1 ZINC000920355572 1052935510 /nfs/dbraw/zinc/93/55/10/1052935510.db2.gz CRWNOBJZKAEZHR-UHFFFAOYSA-N -1 0 324.380 4.152 20 30 DIEDRM Cc1ccc(C#N)cc1O[C@H](C(=O)c1ccco1)c1ccco1 ZINC001226876310 1052940629 /nfs/dbraw/zinc/94/06/29/1052940629.db2.gz BWRWVCGQRKGJIY-SFHVURJKSA-N -1 0 307.305 4.056 20 30 DIEDRM C[C@@H](/N=C\c1cc([N+](=O)[O-])ccc1[O-])c1ccccc1Cl ZINC000920944705 1052955921 /nfs/dbraw/zinc/95/59/21/1052955921.db2.gz IDPSRZYWSWNXKA-LGQZLYSRSA-N -1 0 304.733 4.134 20 30 DIEDRM Cc1ccc(F)c(N=Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])c1 ZINC000920943389 1052956010 /nfs/dbraw/zinc/95/60/10/1052956010.db2.gz XBLGOEALUBFZIN-UHFFFAOYSA-N -1 0 308.696 4.152 20 30 DIEDRM C[C@H](/N=C\c1cc([N+](=O)[O-])ccc1[O-])c1ccccc1Cl ZINC000920944701 1052956186 /nfs/dbraw/zinc/95/61/86/1052956186.db2.gz IDPSRZYWSWNXKA-HLGUWXJESA-N -1 0 304.733 4.134 20 30 DIEDRM CC(C)Oc1cccc(/C=C/C(=O)c2ccc(C(=O)[O-])s2)c1 ZINC000921265257 1052967474 /nfs/dbraw/zinc/96/74/74/1052967474.db2.gz CSTMYAHFJHWDTE-VOTSOKGWSA-N -1 0 316.378 4.130 20 30 DIEDRM C=C(C)[C@@H]1CC=C(C)[C@H](Oc2n[n-]c(=O)c(Cl)c2Cl)C1 ZINC001227601989 1053003735 /nfs/dbraw/zinc/00/37/35/1053003735.db2.gz JNMCEGZZYKVDKQ-NXEZZACHSA-N -1 0 315.200 4.169 20 30 DIEDRM CC(C)[C@@H](C#N)c1ccc(-c2ccccc2[C@@H](O)CC(=O)[O-])cc1 ZINC000849476209 1053093418 /nfs/dbraw/zinc/09/34/18/1053093418.db2.gz RNCITMAYPJZXSE-MOPGFXCFSA-N -1 0 323.392 4.125 20 30 DIEDRM CCC#C[C@@H](C)Oc1ccccc1C([O-])=CC(=O)c1ccccc1 ZINC001228513514 1053122946 /nfs/dbraw/zinc/12/29/46/1053122946.db2.gz ZPYWYKYJFZBYMD-MRXNPFEDSA-N -1 0 320.388 4.323 20 30 DIEDRM CCC#C[C@H](C)Oc1ccccc1C([O-])=CC(=O)c1ccccc1 ZINC001228513513 1053123069 /nfs/dbraw/zinc/12/30/69/1053123069.db2.gz ZPYWYKYJFZBYMD-INIZCTEOSA-N -1 0 320.388 4.323 20 30 DIEDRM 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