smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [O-]/N=C(/C[C@@H](NO)c1ccccc1)c1ccccc1 ZINC000004266146 230368795 /nfs/dbraw/zinc/36/87/95/230368795.db2.gz ZUWXMDDZLGXBOF-XEVXXXDWSA-N -1 3 256.305 2.975 50 30 CFEAHM [O-]c1ccc(Br)cc1C=NN1CCCCC1 ZINC000606347392 351263348 /nfs/dbraw/zinc/26/33/48/351263348.db2.gz IOYIVXOHGNTERE-UHFFFAOYSA-N -1 3 283.169 2.975 50 30 CFEAHM N#Cc1ccccc1NC(=O)C(=S)[N-]Cc1ccccc1 ZINC000000172877 371549697 /nfs/dbraw/zinc/54/96/97/371549697.db2.gz GIKKAILKMOIWEW-UHFFFAOYSA-N -1 3 295.367 2.614 50 30 CFEAHM CC(C)c1ccc(C=[NH+][N-]c2ncnc3[n-]cnc32)cc1 ZINC000004106439 371834227 /nfs/dbraw/zinc/83/42/27/371834227.db2.gz OETDYZRFJRCUBE-IFRROFPPSA-N -1 3 280.335 2.922 50 30 CFEAHM CCOc1cc(/C=C2\C(=O)ON=C2C)cc(Cl)c1[O-] ZINC000004200153 371840461 /nfs/dbraw/zinc/84/04/61/371840461.db2.gz CIGVIMMYKPDFCL-WTKPLQERSA-N -1 3 281.695 2.760 50 30 CFEAHM O=C(COc1ccccc1)Nc1nnc(-c2ccco2)[n-]1 ZINC000012904136 371996450 /nfs/dbraw/zinc/99/64/50/371996450.db2.gz QCLSLGBDUDGKHO-UHFFFAOYSA-N -1 3 284.275 2.732 50 30 CFEAHM O=C(COc1ccccc1)Nc1nc(-c2ccco2)n[n-]1 ZINC000012904136 371996456 /nfs/dbraw/zinc/99/64/56/371996456.db2.gz QCLSLGBDUDGKHO-UHFFFAOYSA-N -1 3 284.275 2.732 50 30 CFEAHM O=C(COc1ccccc1)Nc1n[n-]c(-c2ccco2)n1 ZINC000012904136 371996461 /nfs/dbraw/zinc/99/64/61/371996461.db2.gz QCLSLGBDUDGKHO-UHFFFAOYSA-N -1 3 284.275 2.732 50 30 CFEAHM Cn1cccc1/C=C1\S/C(=N\c2cccc([O-])c2)NC1=O ZINC000013787070 372049689 /nfs/dbraw/zinc/04/96/89/372049689.db2.gz OWYGVHQQZVAPGO-LCYFTJDESA-N -1 3 299.355 2.622 50 30 CFEAHM O=C(Nc1ccccc1[O-])c1c[nH]c2cccnc12 ZINC000328594443 382550021 /nfs/dbraw/zinc/55/00/21/382550021.db2.gz KKGUAOOFRONPHX-UHFFFAOYSA-N -1 3 253.261 2.905 50 30 CFEAHM Cc1cn(CCC#N)nc1C=Nc1ccc([O-])cc1 ZINC000254438737 383466662 /nfs/dbraw/zinc/46/66/62/383466662.db2.gz DOPHEXXLKAIXOV-UHFFFAOYSA-N -1 3 254.293 2.561 50 30 CFEAHM O=c1[n-]c(=O)c(N=Cc2c(Cl)cccc2Cl)c[nH]1 ZINC000252627165 383422215 /nfs/dbraw/zinc/42/22/15/383422215.db2.gz RNZICEQYGHRRET-UHFFFAOYSA-N -1 3 284.102 2.945 50 30 CFEAHM C#Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000003997417 393457239 /nfs/dbraw/zinc/45/72/39/393457239.db2.gz SZAZEYMQRJDJBD-UHFFFAOYSA-N -1 3 275.304 2.608 50 30 CFEAHM [O-]c1ccc(Br)cc1C=NNc1ccccn1 ZINC000004738497 170008191 /nfs/dbraw/zinc/00/81/91/170008191.db2.gz VQQMWAPCKOMOKF-OVCLIPMQSA-N -1 3 292.136 2.996 50 30 CFEAHM CCN1CCC(N=Nc2ccc(Cl)c(C(=O)[O-])c2)CC1 ZINC000004933880 170042385 /nfs/dbraw/zinc/04/23/85/170042385.db2.gz MFLJYLFXQRIRPE-UHFFFAOYSA-N -1 3 295.770 2.922 50 30 CFEAHM N#Cc1ccsc1[N-]C(=O)c1cnc2ccccc2n1 ZINC000006609508 170219011 /nfs/dbraw/zinc/21/90/11/170219011.db2.gz LTYSOWAQHITYQE-UHFFFAOYSA-N -1 3 280.312 2.815 50 30 CFEAHM CC(C)c1cc([N-]C(=O)COc2ccc(C#N)cc2)on1 ZINC000021275844 171300419 /nfs/dbraw/zinc/30/04/19/171300419.db2.gz NQZAPMXTYOIMAJ-UHFFFAOYSA-N -1 3 285.303 2.687 50 30 CFEAHM N#Cc1c([N-]C(=O)C(F)(F)F)sc2c1CCC2 ZINC000000060922 371520634 /nfs/dbraw/zinc/52/06/34/371520634.db2.gz QWZHTJXNBFZNCN-UHFFFAOYSA-N -1 3 260.240 2.609 50 30 CFEAHM N#Cc1ccccc1[N-]C(=S)NC(=O)Cc1ccccc1 ZINC000000359647 371594056 /nfs/dbraw/zinc/59/40/56/371594056.db2.gz IBIRMLLHRNFUCA-UHFFFAOYSA-N -1 3 295.367 2.614 50 30 CFEAHM CCCC(=O)NC(=S)[N-]c1sc(C)c(C)c1C#N ZINC000001067804 371659845 /nfs/dbraw/zinc/65/98/45/371659845.db2.gz NWEPHJAVWQUBBH-UHFFFAOYSA-N -1 3 281.406 2.850 50 30 CFEAHM Cc1ccc(N2CCN(/N=C\c3ccccc3[O-])CC2)cc1 ZINC000005009178 371877944 /nfs/dbraw/zinc/87/79/44/371877944.db2.gz XAXSRAZQEBSBJP-RGEXLXHISA-N -1 3 295.386 2.857 50 30 CFEAHM COc1cc([O-])c2c(c1)OC/C(=C\c1ccc(O)cc1)C2=O ZINC000015206091 372082448 /nfs/dbraw/zinc/08/24/48/372082448.db2.gz CEIWQXCJVAWOKP-IZZDOVSWSA-N -1 3 298.294 2.765 50 30 biogenic,in-vitro CFEAHM CCOc1cc(-c2cc(C)nc(N)c2C#N)ccc1[O-] ZINC000019848277 372200017 /nfs/dbraw/zinc/20/00/17/372200017.db2.gz DCDNUPUGFGJNGR-UHFFFAOYSA-N -1 3 269.304 2.615 50 30 CFEAHM [O-]/N=C(/c1cc(F)c(F)c(F)c1)c1ccc(O)cc1O ZINC000032502199 372441327 /nfs/dbraw/zinc/44/13/27/372441327.db2.gz LTWJGWOVJGCFRI-LGMDPLHJSA-N -1 3 283.205 2.742 50 30 CFEAHM Cc1c2c(ccc1[O-])C(=O)/C(=C\c1cccnc1)O2 ZINC000032627175 372450503 /nfs/dbraw/zinc/45/05/03/372450503.db2.gz LRDGARJOLZMYEK-NTUHNPAUSA-N -1 3 253.257 2.712 50 30 CFEAHM C=C1C(=O)c2ccccc2C([O-])=C1SCCOC ZINC000034022064 372504397 /nfs/dbraw/zinc/50/43/97/372504397.db2.gz JTCRCMIBIBLUOK-UHFFFAOYSA-N -1 3 262.330 2.719 50 30 CFEAHM Cc1ccccc1CC(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000036714218 372586476 /nfs/dbraw/zinc/58/64/76/372586476.db2.gz IZXFSIZOKGCKCX-UHFFFAOYSA-N -1 3 284.241 2.963 50 30 CFEAHM Cc1ccccc1CC(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000036714218 372586482 /nfs/dbraw/zinc/58/64/82/372586482.db2.gz IZXFSIZOKGCKCX-UHFFFAOYSA-N -1 3 284.241 2.963 50 30 CFEAHM [O-]C(NC1=NCCS1)=C1CCCC[C@H]1C(F)(F)F ZINC000071800139 374225367 /nfs/dbraw/zinc/22/53/67/374225367.db2.gz BANJZMBYTJTIOT-JGVFFNPUSA-N -1 3 280.315 2.574 50 30 CFEAHM COc1ccc(C([O-])=Cc2nc3ccccc3[nH]c2=O)cc1 ZINC000090450364 375015369 /nfs/dbraw/zinc/01/53/69/375015369.db2.gz FSOXMTPAWNDEOH-XNTDXEJSSA-N -1 3 294.310 2.826 50 30 CFEAHM C=CCOc1c(/C=N/[O-])c(C)nn1-c1ccccc1 ZINC000100150558 375614475 /nfs/dbraw/zinc/61/44/75/375614475.db2.gz NJPOYEKQKDLLRX-XNTDXEJSSA-N -1 3 257.293 2.554 50 30 CFEAHM COC(=O)c1ccccc1/N=C\c1ccccc1[O-] ZINC000044835707 397569962 /nfs/dbraw/zinc/56/99/62/397569962.db2.gz UPKKHZACFHSHDD-YBEGLDIGSA-N -1 3 255.273 2.929 50 30 CFEAHM COc1cccc(C([O-])=C(C#N)C(=O)Nc2ccccc2)c1 ZINC000103504210 397595283 /nfs/dbraw/zinc/59/52/83/397595283.db2.gz RSEBXSRYYCWGAZ-HNNXBMFYSA-N -1 3 294.310 2.656 50 30 CFEAHM CCOc1ccc(/N=C/c2c([O-])c(C)ncc2CO)cc1 ZINC000005110505 170066676 /nfs/dbraw/zinc/06/66/76/170066676.db2.gz MQLAWDIRWBTGRI-GIJQJNRQSA-N -1 3 286.331 2.737 50 30 CFEAHM COc1cc(/C=C/C(=O)c2cccnc2)cc(OC)c1[O-] ZINC000007739423 170299665 /nfs/dbraw/zinc/29/96/65/170299665.db2.gz OYZVNVZOJMAYHM-AATRIKPKSA-N -1 3 285.299 2.701 50 30 CFEAHM COc1ccc(-c2nc(C)c(C#N)c(=S)[n-]2)cc1 ZINC000006760542 277397036 /nfs/dbraw/zinc/39/70/36/277397036.db2.gz MBQSOXWRWWGOGF-UHFFFAOYSA-N -1 3 257.318 2.621 50 30 CFEAHM O=c1[nH][n-]c2c1[C@@H](c1cccs1)C1=C(CCCC1=O)N2 ZINC000012347405 304624406 /nfs/dbraw/zinc/62/44/06/304624406.db2.gz YKVPNSLETMIRBQ-NSHDSACASA-N -1 3 287.344 2.741 50 30 CFEAHM Cc1cc(Cl)ccc1OCc1nc(SCC#N)n[n-]1 ZINC000014111000 533792656 /nfs/dbraw/zinc/79/26/56/533792656.db2.gz VYGOYJVNEMYAFU-UHFFFAOYSA-N -1 3 294.767 2.961 50 30 CFEAHM CCCCCCCCCCCC(=O)OC[C@@H](N)C(=O)[O-] ZINC000097971854 528123208 /nfs/dbraw/zinc/12/32/08/528123208.db2.gz IGZVVOAVTPZMEP-CYBMUJFWSA-N -1 3 287.400 2.862 50 30 CFEAHM COc1ccc(C)cc1C([O-])=C(C#N)c1ccccn1 ZINC000073971203 346987404 /nfs/dbraw/zinc/98/74/04/346987404.db2.gz FLUNYSLIEIRODD-CYBMUJFWSA-N -1 3 266.300 2.889 50 30 CFEAHM [O-]c1ccc2ccccc2c1C=NNC1=NCCC1 ZINC000606347532 351263779 /nfs/dbraw/zinc/26/37/79/351263779.db2.gz VWMDJYBHYMNBJE-UHFFFAOYSA-N -1 3 253.305 2.661 50 30 CFEAHM CN(CCCCCC(=O)/C=N/[O-])Cc1ccccc1 ZINC000002231307 371720786 /nfs/dbraw/zinc/72/07/86/371720786.db2.gz HPMNZFIOUMSAOA-FOWTUZBSSA-N -1 3 262.353 2.708 50 30 CFEAHM C=CCOc1ccccc1C(=O)[N-]C(=O)c1ccccc1 ZINC000002959265 371765139 /nfs/dbraw/zinc/76/51/39/371765139.db2.gz PKSKZOJQCQIDIS-UHFFFAOYSA-N -1 3 281.311 2.822 50 30 CFEAHM [O-]c1ccccc1/C=N/Cc1ccc2c(c1)OCO2 ZINC000003156273 371775876 /nfs/dbraw/zinc/77/58/76/371775876.db2.gz BROGFALWQPIUQC-CXUHLZMHSA-N -1 3 255.273 2.740 50 30 CFEAHM Cc1nn(CCC#N)c(C)c1Oc1ccccc1[O-] ZINC000003243447 371783094 /nfs/dbraw/zinc/78/30/94/371783094.db2.gz OIQRQFPNAWUWBX-UHFFFAOYSA-N -1 3 257.293 2.912 50 30 CFEAHM [O-]c1ccccc1/C=N/N1CCN(Cc2ccccc2)CC1 ZINC000019771329 372184517 /nfs/dbraw/zinc/18/45/17/372184517.db2.gz NVQRMPQPJSCBRR-XMHGGMMESA-N -1 3 295.386 2.544 50 30 CFEAHM [O-]C(NC1=NCCS1)=C1CCCC[C@H]1C(F)(F)F ZINC000071800137 374224906 /nfs/dbraw/zinc/22/49/06/374224906.db2.gz BANJZMBYTJTIOT-HTQZYQBOSA-N -1 3 280.315 2.574 50 30 CFEAHM N/C(=C\c1ccccc1O)C/N=C/c1ccccc1[O-] ZINC000100031321 375611953 /nfs/dbraw/zinc/61/19/53/375611953.db2.gz UWLQKBXMMJMZLN-XYZJYNETSA-N -1 3 268.316 2.517 50 30 CFEAHM C=CCOC([S-])=NC(=O)C=Cc1ccc(Cl)cc1 ZINC000212103130 382775834 /nfs/dbraw/zinc/77/58/34/382775834.db2.gz WOJCAVJKQJOLDR-YVMONPNESA-N -1 3 281.764 2.957 50 30 CFEAHM C=CCOC(=S)[N-]C(=O)C=Cc1ccc(Cl)cc1 ZINC000212103130 382775836 /nfs/dbraw/zinc/77/58/36/382775836.db2.gz WOJCAVJKQJOLDR-YVMONPNESA-N -1 3 281.764 2.957 50 30 CFEAHM C=C(C)CN(C)C(=O)c1ccc2[n-]c(OCC)nc2c1 ZINC000225806338 382821841 /nfs/dbraw/zinc/82/18/41/382821841.db2.gz MZKLEWWDNPSDDR-UHFFFAOYSA-N -1 3 273.336 2.610 50 30 CFEAHM C=C(C)CN(C)C(=O)c1ccc2nc(OCC)[n-]c2c1 ZINC000225806338 382821842 /nfs/dbraw/zinc/82/18/42/382821842.db2.gz MZKLEWWDNPSDDR-UHFFFAOYSA-N -1 3 273.336 2.610 50 30 CFEAHM [O-]c1ccccc1C=NN1C(=S)N=NC1c1ccccc1 ZINC000239229157 382981117 /nfs/dbraw/zinc/98/11/17/382981117.db2.gz UUJUTEUHFBPDJR-UHFFFAOYSA-N -1 3 296.355 2.822 50 30 CFEAHM N#CCSc1nnc([N-][NH+]=Cc2cccc(Cl)c2)[n-]1 ZINC000020437107 393485181 /nfs/dbraw/zinc/48/51/81/393485181.db2.gz WTHYWNDCAGXZRR-VGOFMYFVSA-N -1 3 292.755 2.520 50 30 CFEAHM O=C(C=Cc1ccco1)Nc1nnc(-c2ccccn2)[n-]1 ZINC000096313803 393819440 /nfs/dbraw/zinc/81/94/40/393819440.db2.gz OOCZXMJFPRLVLD-SREVYHEPSA-N -1 3 281.275 2.761 50 30 CFEAHM O=C(C=Cc1ccco1)Nc1nc(-c2ccccn2)n[n-]1 ZINC000096313803 393819447 /nfs/dbraw/zinc/81/94/47/393819447.db2.gz OOCZXMJFPRLVLD-SREVYHEPSA-N -1 3 281.275 2.761 50 30 CFEAHM O=C(C=Cc1ccco1)Nc1n[n-]c(-c2ccccn2)n1 ZINC000096313803 393819453 /nfs/dbraw/zinc/81/94/53/393819453.db2.gz OOCZXMJFPRLVLD-SREVYHEPSA-N -1 3 281.275 2.761 50 30 CFEAHM O=C(/C=C/c1ccc([N+](=O)[O-])cc1)c1ccc([O-])c(O)c1 ZINC000004844914 170029621 /nfs/dbraw/zinc/02/96/21/170029621.db2.gz CUEWOYAEVHHUTJ-XVNBXDOJSA-N -1 3 285.255 2.902 50 30 CFEAHM N#CCSc1n[n-]c(COc2ccc(Cl)cc2)n1 ZINC000008778192 170355708 /nfs/dbraw/zinc/35/57/08/170355708.db2.gz BWZVUXOAIXACRO-UHFFFAOYSA-N -1 3 280.740 2.653 50 30 CFEAHM N#Cc1ccccc1[N-]C(=S)NC(=O)c1cccs1 ZINC000000503223 260000757 /nfs/dbraw/zinc/00/07/57/260000757.db2.gz UZYOGGOWMAJHEJ-UHFFFAOYSA-N -1 3 287.369 2.747 50 30 CFEAHM N#CCc1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000012504825 303157404 /nfs/dbraw/zinc/15/74/04/303157404.db2.gz LDFFAIAPGIFPJQ-UHFFFAOYSA-N -1 3 267.313 2.718 50 30 CFEAHM O=[N+]([O-])c1cccc(NN=Cc2ccccc2[O-])c1 ZINC000254873088 651097292 /nfs/dbraw/zinc/09/72/92/651097292.db2.gz HZUZBVMYLSEFDR-UHFFFAOYSA-N -1 3 257.249 2.746 50 30 CFEAHM C=CCOC([S-])=NC(=O)C=Cc1ccc(Cl)cc1 ZINC000075283079 347064487 /nfs/dbraw/zinc/06/44/87/347064487.db2.gz WOJCAVJKQJOLDR-VMPITWQZSA-N -1 3 281.764 2.957 50 30 CFEAHM C=CCOC(=S)[N-]C(=O)C=Cc1ccc(Cl)cc1 ZINC000075283079 347064490 /nfs/dbraw/zinc/06/44/90/347064490.db2.gz WOJCAVJKQJOLDR-VMPITWQZSA-N -1 3 281.764 2.957 50 30 CFEAHM Cc1nnc(Sc2ccc([O-])cc2)c(C#N)c1C ZINC000124232387 187127284 /nfs/dbraw/zinc/12/72/84/187127284.db2.gz HGISAPVXAYYTIU-UHFFFAOYSA-N -1 3 257.318 2.822 50 30 CFEAHM O=C1c2cc(O)ccc2O/C1=C\c1ccccc1[O-] ZINC000000489656 371630571 /nfs/dbraw/zinc/63/05/71/371630571.db2.gz HUVXVUZTPFLEPQ-AUWJEWJLSA-N -1 3 254.241 2.714 50 30 CFEAHM O=C1CS/C(=N\N=C\c2cccc(Cl)c2Cl)[N-]1 ZINC000001212104 371661962 /nfs/dbraw/zinc/66/19/62/371661962.db2.gz DXVFJXBVGNPXTH-YIXHJXPBSA-N -1 3 288.159 2.546 50 30 CFEAHM COc1cc([C@@H]2CC(=O)C=C([O-])C2)cc(OC)c1OC ZINC000004095471 371831642 /nfs/dbraw/zinc/83/16/42/371831642.db2.gz ABEYUAPZLMUNMU-SECBINFHSA-N -1 3 278.304 2.601 50 30 CFEAHM COc1cc([C@H]2CC(=O)C=C([O-])C2)cc(OC)c1OC ZINC000004095471 371831650 /nfs/dbraw/zinc/83/16/50/371831650.db2.gz ABEYUAPZLMUNMU-SECBINFHSA-N -1 3 278.304 2.601 50 30 CFEAHM O=[N+]([O-])c1ccc(NN=Cc2cccc([O-])c2)cc1 ZINC000004188141 371840517 /nfs/dbraw/zinc/84/05/17/371840517.db2.gz WGVQPYDRRQOJQL-NTEUORMPSA-N -1 3 257.249 2.746 50 30 CFEAHM O=c1[nH][n-]c2c1[C@H](c1ccsc1)C1=C(CCCC1=O)N2 ZINC000012348652 371952549 /nfs/dbraw/zinc/95/25/49/371952549.db2.gz IEXZYFWCARPPQK-SNVBAGLBSA-N -1 3 287.344 2.741 50 30 CFEAHM O=[N+]([O-])c1ccccc1OC/C(=N\[O-])c1ccccc1 ZINC000015987499 372095767 /nfs/dbraw/zinc/09/57/67/372095767.db2.gz MKIQSBCXQDUIIS-NTCAYCPXSA-N -1 3 272.260 2.852 50 30 CFEAHM CCc1nc(N)c(C#N)c(-c2ccc([O-])c(OC)c2)c1C ZINC000019095763 372148471 /nfs/dbraw/zinc/14/84/71/372148471.db2.gz JDEGETYTXUWVJF-UHFFFAOYSA-N -1 3 283.331 2.788 50 30 CFEAHM O=[N+]([O-])C(C=Nc1ccccc1[O-])=CNc1ccccc1O ZINC000102915172 375699745 /nfs/dbraw/zinc/69/97/45/375699745.db2.gz XQLJEBHUJBBIFW-CZCYGEDCSA-N -1 3 299.286 2.848 50 30 CFEAHM N#Cc1[n-]c(=NCC2CCSCC2)sc1Cl ZINC000408523830 380939226 /nfs/dbraw/zinc/93/92/26/380939226.db2.gz NWKZREIZEXYDNF-UHFFFAOYSA-N -1 3 273.814 2.645 50 30 CFEAHM N#CC(=C([O-])C=Cc1cccc([N+](=O)[O-])c1)c1ccccn1 ZINC000049456342 412943521 /nfs/dbraw/zinc/94/35/21/412943521.db2.gz UPJITZGCKHMPCY-HSBSLETESA-N -1 3 293.282 2.879 50 30 CFEAHM C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1cc([O-])ccc1Cl ZINC000290929301 381601648 /nfs/dbraw/zinc/60/16/48/381601648.db2.gz RSDLBPKWJZXIFA-YGRLFVJLSA-N -1 3 295.766 2.757 50 30 CFEAHM C=CCN(Cc1cccs1)C(=O)c1cccc2[n-]nnc21 ZINC000189703326 382636429 /nfs/dbraw/zinc/63/64/29/382636429.db2.gz JFUPAGLVZMJRLX-UHFFFAOYSA-N -1 3 298.371 2.848 50 30 CFEAHM C=CCN(Cc1cccs1)C(=O)c1cccc2nn[n-]c21 ZINC000189703326 382636433 /nfs/dbraw/zinc/63/64/33/382636433.db2.gz JFUPAGLVZMJRLX-UHFFFAOYSA-N -1 3 298.371 2.848 50 30 CFEAHM C=CCN(Cc1cccs1)C(=O)c1cccc2n[n-]nc21 ZINC000189703326 382636435 /nfs/dbraw/zinc/63/64/35/382636435.db2.gz JFUPAGLVZMJRLX-UHFFFAOYSA-N -1 3 298.371 2.848 50 30 CFEAHM [O-]c1ccccc1/C=N\[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000255064193 383474962 /nfs/dbraw/zinc/47/49/62/383474962.db2.gz OOYCAKQTKVZJBL-HUNRTVAJSA-N -1 3 257.333 2.769 50 30 CFEAHM C#Cc1cccc(NC([O-])=NOCc2ccccc2)c1 ZINC000069485958 393636890 /nfs/dbraw/zinc/63/68/90/393636890.db2.gz MELKMCHSNKLRLA-UHFFFAOYSA-N -1 3 266.300 2.921 50 30 CFEAHM C#Cc1cccc(NC(=O)[N-]OCc2ccccc2)c1 ZINC000069485958 393636899 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C[C@@H]1CCc2c(C#N)c([N-]C(=O)c3cnccn3)sc2C1 ZINC000000133292 393446086 /nfs/dbraw/zinc/44/60/86/393446086.db2.gz JOKPNMJSMLTNHF-SECBINFHSA-N -1 3 298.371 2.787 50 30 CFEAHM CS(=O)(=O)c1ccc(/N=C\c2ccccc2[O-])cc1 ZINC000044835753 397569711 /nfs/dbraw/zinc/56/97/11/397569711.db2.gz RAJRICGRDOAEBY-GDNBJRDFSA-N -1 3 275.329 2.546 50 30 CFEAHM C#CCOc1c(Br)cc(/C=N/[O-])cc1OCC ZINC000002990064 169847602 /nfs/dbraw/zinc/84/76/02/169847602.db2.gz CKUSWORHPFXRBR-RIYZIHGNSA-N -1 3 298.136 2.668 50 30 CFEAHM C=C(C)CN(CC)Cc1cc(OC)c([O-])c([N+](=O)[O-])c1 ZINC000004988981 170049842 /nfs/dbraw/zinc/04/98/42/170049842.db2.gz REGFPQSDDNAHEX-UHFFFAOYSA-N -1 3 280.324 2.707 50 30 CFEAHM [O-]c1ccccc1/C=N\c1ccc2c(c1)OCCO2 ZINC000005273455 170081674 /nfs/dbraw/zinc/08/16/74/170081674.db2.gz WKDQPCBNRXHHOQ-YBEGLDIGSA-N -1 3 255.273 2.914 50 30 CFEAHM Cc1ccc(NC(=O)COc2ccccc2C#N)c([O-])c1 ZINC000009052970 170362620 /nfs/dbraw/zinc/36/26/20/170362620.db2.gz CWJYAQJRACIYBF-UHFFFAOYSA-N -1 3 282.299 2.590 50 30 CFEAHM CC(=O)SCC([O-])=C(C#N)c1nc2ccccc2s1 ZINC000009452493 170377210 /nfs/dbraw/zinc/37/72/10/170377210.db2.gz SSEVHGUKMVOHRD-VIFPVBQESA-N -1 3 290.369 2.752 50 30 CFEAHM [O-]c1ccc(Br)cc1C=NNc1ccccn1 ZINC000015015490 170654133 /nfs/dbraw/zinc/65/41/33/170654133.db2.gz VQQMWAPCKOMOKF-NVNXTCNLSA-N -1 3 292.136 2.996 50 30 CFEAHM O=C1C[C@H](c2ccccc2)N1/N=C/c1ccccc1[O-] ZINC000071279088 176108113 /nfs/dbraw/zinc/10/81/13/176108113.db2.gz MFYIYGMEJDZRFN-SWEABUAFSA-N -1 3 266.300 2.700 50 30 CFEAHM O=C1CSC(=Nc2ccc3c4c(cccc42)CC3)[N-]1 ZINC000239562681 280267783 /nfs/dbraw/zinc/26/77/83/280267783.db2.gz KHZWULPMKDYXAG-UHFFFAOYSA-N -1 3 268.341 2.789 50 30 CFEAHM COc1cc([O-])ccc1-c1c(C#N)c(N)nc2c1CCCC2 ZINC000067673180 295005160 /nfs/dbraw/zinc/00/51/60/295005160.db2.gz HVVCSQBFRFYGGL-UHFFFAOYSA-N -1 3 295.342 2.795 50 30 CFEAHM N#Cc1ccc(NCc2ccc([O-])c(F)c2)c([N+](=O)[O-])c1 ZINC000078020336 526663969 /nfs/dbraw/zinc/66/39/69/526663969.db2.gz FXDLQYZOZGGLGV-UHFFFAOYSA-N -1 3 287.250 2.923 50 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CFEAHM Cc1ccc([O-])c(/N=C2\C(=O)Nc3ccccc32)c1 ZINC000013590257 292162348 /nfs/dbraw/zinc/16/23/48/292162348.db2.gz HMEDYWCBZCUDSM-UHFFFAOYSA-N -1 3 252.273 2.774 50 30 CFEAHM Cc1ccc(/N=C/c2c([O-])c(C)ncc2CO)cc1C ZINC000005110499 170066602 /nfs/dbraw/zinc/06/66/02/170066602.db2.gz JOAAWVVLVGOBCK-QGMBQPNBSA-N -1 3 270.332 2.955 50 30 CFEAHM O=[N+]([O-])c1ccc(/N=C/c2cccc([O-])c2O)cc1 ZINC000005344194 170087998 /nfs/dbraw/zinc/08/79/98/170087998.db2.gz GJIBKYAOIQXICR-RIYZIHGNSA-N -1 3 258.233 2.757 50 30 CFEAHM O=[N+]([O-])c1ccc(/N=C/c2cccc(O)c2[O-])cc1 ZINC000005344194 170088000 /nfs/dbraw/zinc/08/80/00/170088000.db2.gz GJIBKYAOIQXICR-RIYZIHGNSA-N -1 3 258.233 2.757 50 30 CFEAHM O=c1[nH][n-]c2c1[C@@H](c1ccccc1)C1=C(CCCC1=O)N2 ZINC000018195430 304624081 /nfs/dbraw/zinc/62/40/81/304624081.db2.gz XVNIFNKBDKTPRL-LBPRGKRZSA-N -1 3 281.315 2.680 50 30 CFEAHM Cc1ccc([C@H]2[N-]c3nonc3N=C3CCCC(=O)C32)cc1 ZINC000072461827 327110808 /nfs/dbraw/zinc/11/08/08/327110808.db2.gz 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CC(=O)Nc1ccc(C([O-])=C(C#N)c2ccc(F)cn2)cc1 ZINC000078984837 347282784 /nfs/dbraw/zinc/28/27/84/347282784.db2.gz ONFQVIVPXFPEOZ-AWEZNQCLSA-N -1 3 297.289 2.669 50 30 CFEAHM O=c1[nH]c2ccccc2nc1C=C([O-])c1ccccc1 ZINC000085958817 179203843 /nfs/dbraw/zinc/20/38/43/179203843.db2.gz VYSUSLXZOLRSEX-UVTDQMKNSA-N -1 3 264.284 2.817 50 30 CFEAHM N#CC(=C([O-])c1ccc([N+](=O)[O-])cc1)c1ccc(F)cn1 ZINC000078984879 347283849 /nfs/dbraw/zinc/28/38/49/347283849.db2.gz UUWVEYNXLAKNEE-GFCCVEGCSA-N -1 3 285.234 2.619 50 30 CFEAHM Cc1csc(C(C#N)=C([O-])c2cnc3ccccn32)n1 ZINC000084268017 540197852 /nfs/dbraw/zinc/19/78/52/540197852.db2.gz UHVDYZDQOOPJOV-JTQLQIEISA-N -1 3 282.328 2.589 50 30 CFEAHM [O-]c1ccccc1/C=N/NC(=S)Nc1cccc(F)c1 ZINC000000089742 371527973 /nfs/dbraw/zinc/52/79/73/371527973.db2.gz VUASARWGCIBBET-CXUHLZMHSA-N -1 3 289.335 2.852 50 30 CFEAHM N/C(COc1ccc2ccccc2c1Br)=N\[O-] ZINC000002559636 371736622 /nfs/dbraw/zinc/73/66/22/371736622.db2.gz IILFGCHWLITFRT-UHFFFAOYSA-N -1 3 295.136 2.728 50 30 CFEAHM Oc1ccccc1C=N[N-]c1nc2ccccc2o1 ZINC000003909452 371826013 /nfs/dbraw/zinc/82/60/13/371826013.db2.gz VEWGEYARSOOEBT-OQLLNIDSSA-N -1 3 253.261 2.979 50 30 CFEAHM Cc1cccc(/N=C/c2c([O-])c(C)ncc2CO)c1C ZINC000004599245 371866479 /nfs/dbraw/zinc/86/64/79/371866479.db2.gz SPDAXOQCKQASRY-QGMBQPNBSA-N -1 3 270.332 2.955 50 30 CFEAHM C=CCc1ccc2c(c1[O-])C(=O)c1ccccc1C2=O ZINC000005225287 371881085 /nfs/dbraw/zinc/88/10/85/371881085.db2.gz IMUBGIOLZQTIGI-UHFFFAOYSA-N -1 3 264.280 2.896 50 30 in-vitro CFEAHM N#CC(=C([O-])c1ccsc1)c1nnc2n1CCCCC2 ZINC000041509104 372845957 /nfs/dbraw/zinc/84/59/57/372845957.db2.gz PNTLRCSJTXPGCQ-NSHDSACASA-N -1 3 286.360 2.556 50 30 CFEAHM C=CCO[C@H](C)C(=O)Nc1cc(C(F)(F)F)ccc1[O-] ZINC000072311416 374244298 /nfs/dbraw/zinc/24/42/98/374244298.db2.gz NIGHYPDSMXHSJE-MRVPVSSYSA-N -1 3 289.253 2.941 50 30 CFEAHM CC(=NNc1ccc([N+](=O)[O-])cc1)c1ccc(O)cc1[O-] ZINC000100066940 375613205 /nfs/dbraw/zinc/61/32/05/375613205.db2.gz OPVFHCHQMDXESX-OQLLNIDSSA-N -1 3 287.275 2.842 50 30 CFEAHM CN=c1scc(-c2ccco2)n1N=Cc1ccccc1[O-] ZINC000254760141 383471263 /nfs/dbraw/zinc/47/12/63/383471263.db2.gz RUXTXJGIVHVUQI-UHFFFAOYSA-N -1 3 299.355 2.928 50 30 CFEAHM COc1cc(-c2c(C#N)c(N)nc3c2CCCC3)ccc1[O-] ZINC000019550101 286189580 /nfs/dbraw/zinc/18/95/80/286189580.db2.gz PKADYRONFOJIFK-UHFFFAOYSA-N -1 3 295.342 2.795 50 30 CFEAHM Cc1ncc(CO)c(/C=N/c2ccc(Cl)cc2)c1[O-] ZINC000005110538 170067095 /nfs/dbraw/zinc/06/70/95/170067095.db2.gz ZBJFYLMYKKQONB-REZTVBANSA-N -1 3 276.723 2.992 50 30 CFEAHM C=CCc1cccc(C=NNc2ccccn2)c1[O-] ZINC000005283187 170082559 /nfs/dbraw/zinc/08/25/59/170082559.db2.gz ZQEJQILRIWFWAT-GZTJUZNOSA-N -1 3 253.305 2.962 50 30 CFEAHM CCCc1ncc(C([O-])=C(C#N)c2ccccn2)s1 ZINC000076824575 177110252 /nfs/dbraw/zinc/11/02/52/177110252.db2.gz MEAMYLAROYPHIC-SNVBAGLBSA-N -1 3 271.345 2.981 50 30 CFEAHM C=CCc1c([O-])ccc2nc3n(c(=O)c21)CCCCC3 ZINC000020761983 276911669 /nfs/dbraw/zinc/91/16/69/276911669.db2.gz NYOGAOMLDBVPKF-UHFFFAOYSA-N -1 3 270.332 2.557 50 30 CFEAHM C[C@H]1CCc2c(C#N)c([N-]C(=O)c3cnccn3)sc2C1 ZINC000000133291 279764916 /nfs/dbraw/zinc/76/49/16/279764916.db2.gz JOKPNMJSMLTNHF-VIFPVBQESA-N -1 3 298.371 2.787 50 30 CFEAHM CCn1cc(/C=C\C(=O)c2cccc([O-])c2)c(C)n1 ZINC000071785182 327105214 /nfs/dbraw/zinc/10/52/14/327105214.db2.gz GSWDCRGHENAWAR-FPLPWBNLSA-N -1 3 256.305 2.813 50 30 CFEAHM CCN(CC)c1ccc(C([O-])=C(C#N)c2ccccn2)cn1 ZINC000097164065 528297346 /nfs/dbraw/zinc/29/73/46/528297346.db2.gz TXZASCSDUVXAMC-AWEZNQCLSA-N -1 3 294.358 2.813 50 30 CFEAHM COC(=O)c1ccc(N=Cc2ccccc2[O-])cc1 ZINC000254823023 348302573 /nfs/dbraw/zinc/30/25/73/348302573.db2.gz DNMJZIFVMMRREY-UHFFFAOYSA-N -1 3 255.273 2.929 50 30 CFEAHM COc1cc(C=C2C(=O)c3ccccc3C2=O)ccc1[O-] ZINC000000076005 371523453 /nfs/dbraw/zinc/52/34/53/371523453.db2.gz NPHKQWBQYOBTKH-UHFFFAOYSA-N -1 3 280.279 2.863 50 30 CFEAHM CC([O-])=C1C(=O)C(=O)N(c2cccnc2)[C@@H]1c1ccccc1 ZINC000000550906 371639202 /nfs/dbraw/zinc/63/92/02/371639202.db2.gz MSGDJSTXSMRDKG-OAHLLOKOSA-N -1 3 294.310 2.571 50 30 CFEAHM O=C(Nc1nnc(-c2ccco2)[n-]1)c1ccccc1F ZINC000012951059 372003119 /nfs/dbraw/zinc/00/31/19/372003119.db2.gz ZOZQSVBPKHTXKO-UHFFFAOYSA-N -1 3 272.239 2.840 50 30 CFEAHM O=C(Nc1nc(-c2ccco2)n[n-]1)c1ccccc1F ZINC000012951059 372003123 /nfs/dbraw/zinc/00/31/23/372003123.db2.gz ZOZQSVBPKHTXKO-UHFFFAOYSA-N -1 3 272.239 2.840 50 30 CFEAHM O=C(Nc1n[n-]c(-c2ccco2)n1)c1ccccc1F ZINC000012951059 372003127 /nfs/dbraw/zinc/00/31/27/372003127.db2.gz ZOZQSVBPKHTXKO-UHFFFAOYSA-N -1 3 272.239 2.840 50 30 CFEAHM Cc1ccc(CC(=O)Nc2nnc(C(F)(F)F)[n-]2)cc1 ZINC000036394837 372578629 /nfs/dbraw/zinc/57/86/29/372578629.db2.gz YMGVXUPVDHUPEG-UHFFFAOYSA-N -1 3 284.241 2.963 50 30 CFEAHM Cc1ccc(CC(=O)Nc2nc(C(F)(F)F)n[n-]2)cc1 ZINC000036394837 372578636 /nfs/dbraw/zinc/57/86/36/372578636.db2.gz YMGVXUPVDHUPEG-UHFFFAOYSA-N -1 3 284.241 2.963 50 30 CFEAHM O=C(Cc1cccc(F)c1)Nc1nnc(-c2ccccn2)[n-]1 ZINC000053523842 373479830 /nfs/dbraw/zinc/47/98/30/373479830.db2.gz BZCYFHBSKPWFOU-UHFFFAOYSA-N -1 3 297.293 2.837 50 30 CFEAHM O=C(Cc1cccc(F)c1)Nc1nc(-c2ccccn2)n[n-]1 ZINC000053523842 373479838 /nfs/dbraw/zinc/47/98/38/373479838.db2.gz BZCYFHBSKPWFOU-UHFFFAOYSA-N -1 3 297.293 2.837 50 30 CFEAHM O=C(Cc1cccc(F)c1)Nc1n[n-]c(-c2ccccn2)n1 ZINC000053523842 373479843 /nfs/dbraw/zinc/47/98/43/373479843.db2.gz BZCYFHBSKPWFOU-UHFFFAOYSA-N -1 3 297.293 2.837 50 30 CFEAHM N#Cc1c[nH]c(C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)c1 ZINC000084350598 374776943 /nfs/dbraw/zinc/77/69/43/374776943.db2.gz STAXZYVTXAAUEJ-UHFFFAOYSA-N -1 3 295.220 2.863 50 30 CFEAHM [O-]c1ccccc1/C=N/[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000124144462 377021879 /nfs/dbraw/zinc/02/18/79/377021879.db2.gz OOYCAKQTKVZJBL-SLYZXBMNSA-N -1 3 257.333 2.769 50 30 CFEAHM C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1cc([O-])ccc1Cl ZINC000290929300 381601835 /nfs/dbraw/zinc/60/18/35/381601835.db2.gz RSDLBPKWJZXIFA-QMTHXVAHSA-N -1 3 295.766 2.757 50 30 CFEAHM O=C1c2ccccc2[N-]/C1=C/c1ccc([N+](=O)[O-])o1 ZINC000101125215 285024872 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ZINC000096603066 650995600 /nfs/dbraw/zinc/99/56/00/650995600.db2.gz ANISAUNWAXSGMX-XQRVVYSFSA-N -1 3 292.722 2.684 50 30 CFEAHM Cc1ccc(C=CC(=O)c2c(C)nc(C)[n-]c2=O)s1 ZINC000096998037 185149919 /nfs/dbraw/zinc/14/99/19/185149919.db2.gz BZDMPIVCUJKMJM-SREVYHEPSA-N -1 3 274.345 2.653 50 30 CFEAHM CCCCc1sc(NN=Cc2ccccc2)nc1[O-] ZINC000006757048 346215193 /nfs/dbraw/zinc/21/51/93/346215193.db2.gz YIZQWNKWELSFJK-GFCCVEGCSA-N -1 3 275.377 2.798 50 30 CFEAHM CC(C)OC(=O)C(C#N)=C([O-])C12CC3CC(CC(C3)C1)C2 ZINC000004948203 346210650 /nfs/dbraw/zinc/21/06/50/346210650.db2.gz BZAIBOFRCNPSFD-ZZTKBFGJSA-N -1 3 289.375 2.863 50 30 CFEAHM C=CCc1cc(C=Cc2nccc(=O)[n-]2)cc(OC)c1O ZINC000606443377 351270226 /nfs/dbraw/zinc/27/02/26/351270226.db2.gz FXINWYOEDQLMOJ-WAYWQWQTSA-N -1 3 284.315 2.795 50 30 CFEAHM O=C1c2ccccc2C(=O)C1=Cc1ccc([O-])c(O)c1 ZINC000000492694 371630619 /nfs/dbraw/zinc/63/06/19/371630619.db2.gz HNKTYJVAICSKHB-UHFFFAOYSA-N -1 3 266.252 2.560 50 30 CFEAHM N#Cc1ccc(COC(=O)c2ccc([O-])cc2)cc1 ZINC000003348318 371793206 /nfs/dbraw/zinc/79/32/06/371793206.db2.gz ULWHYOBROVJRQH-UHFFFAOYSA-N -1 3 253.257 2.621 50 30 CFEAHM O=C(CCCOc1ccc(Cl)cc1Cl)N[O-] ZINC000004148261 371835766 /nfs/dbraw/zinc/83/57/66/371835766.db2.gz FDFDFGDYDFYYCM-UHFFFAOYSA-N -1 3 264.108 2.658 50 30 CFEAHM Cn1c2ccccc2nc1C(C#N)=NNc1cccc([O-])c1 ZINC000004235606 371844198 /nfs/dbraw/zinc/84/41/98/371844198.db2.gz ZRJVQGUIEOKDLL-XSFVSMFZSA-N -1 3 291.314 2.619 50 30 CFEAHM C/C(=N\NC(=S)NCC(C)(C)C)c1cc(F)ccc1[O-] ZINC000004300056 371848905 /nfs/dbraw/zinc/84/89/05/371848905.db2.gz BPQKLXHZWXVWFV-RQZCQDPDSA-N -1 3 297.399 2.766 50 30 CFEAHM COC(=O)c1ccc(COc2ccc(/C=N/[O-])cc2)cc1 ZINC000013109048 372014881 /nfs/dbraw/zinc/01/48/81/372014881.db2.gz AASRCAVLTYZUNY-LICLKQGHSA-N -1 3 285.299 2.860 50 30 CFEAHM C/C(=N\N1CCN(c2ccccc2)CC1)c1ccccc1[O-] ZINC000013126718 372016549 /nfs/dbraw/zinc/01/65/49/372016549.db2.gz VGPNSVINCKOLHJ-XDJHFCHBSA-N -1 3 295.386 2.938 50 30 CFEAHM CCOc1ccc(C=CC(=O)c2c(C)nc(C)[n-]c2=O)cc1 ZINC000013005918 372009931 /nfs/dbraw/zinc/00/99/31/372009931.db2.gz DKWVTFSAIWAGAV-JXMROGBWSA-N -1 3 298.342 2.682 50 30 CFEAHM O=c1[nH]c2ccccc2c([O-])c1C=NCc1ccccc1 ZINC000018029949 372137225 /nfs/dbraw/zinc/13/72/25/372137225.db2.gz LNKALKPATOUZPV-WOJGMQOQSA-N -1 3 278.311 2.853 50 30 CFEAHM O=C(/C=C/c1cnc(N2CCCC2)nc1)c1cccc([O-])c1 ZINC000044025215 372998407 /nfs/dbraw/zinc/99/84/07/372998407.db2.gz JNXIADYCXPJBPH-VOTSOKGWSA-N -1 3 295.342 2.679 50 30 CFEAHM N#CC(=C([O-])C1=Cc2ccccc2OC1)c1ccccn1 ZINC000058265634 373639414 /nfs/dbraw/zinc/63/94/14/373639414.db2.gz GAIBUFPTLHCZLU-AWEZNQCLSA-N -1 3 276.295 2.734 50 30 CFEAHM Cc1ccc(C)c(OCCCC(C)(C)C(=O)N[O-])c1 ZINC000066201374 373918588 /nfs/dbraw/zinc/91/85/88/373918588.db2.gz GXPAJPNNHACIKC-UHFFFAOYSA-N -1 3 265.353 2.994 50 30 CFEAHM C=CCO[C@@H](C)C(=O)Nc1cc(C(F)(F)F)ccc1[O-] ZINC000072311415 374244402 /nfs/dbraw/zinc/24/44/02/374244402.db2.gz NIGHYPDSMXHSJE-QMMMGPOBSA-N -1 3 289.253 2.941 50 30 CFEAHM CC(=NN1CCN(c2ccccc2)CC1)c1ccccc1[O-] ZINC000254792455 383471026 /nfs/dbraw/zinc/47/10/26/383471026.db2.gz VGPNSVINCKOLHJ-UHFFFAOYSA-N -1 3 295.386 2.938 50 30 CFEAHM COC(=O)c1occc1/C=C\C(=O)c1cccc([O-])c1 ZINC000096930378 393839128 /nfs/dbraw/zinc/83/91/28/393839128.db2.gz DYXDEVNFEPXKPM-WAYWQWQTSA-N -1 3 272.256 2.668 50 30 CFEAHM CCCC(=O)Nc1ccc([O-])c(C(C)=NOC)c1 ZINC000263632163 393964283 /nfs/dbraw/zinc/96/42/83/393964283.db2.gz LGVQPFJXQFPZGO-UHFFFAOYSA-N -1 3 250.298 2.501 50 30 CFEAHM CCOC(=O)C(C#N)=N[N-]c1ccccc1Cl ZINC000100207470 397592164 /nfs/dbraw/zinc/59/21/64/397592164.db2.gz NCSZEPVHMVSFMX-KDGRRTAISA-N -1 3 251.673 2.879 50 30 CFEAHM CN(N=Cc1sc(=O)[n-]c1Cl)c1ccccc1 ZINC000004350382 169960835 /nfs/dbraw/zinc/96/08/35/169960835.db2.gz UURCMSWAGMDIOR-NTUHNPAUSA-N -1 3 267.741 2.560 50 30 CFEAHM Cc1ncc(CO)c(/C=N/C2CCC(C)CC2)c1[O-] ZINC000005110754 170067111 /nfs/dbraw/zinc/06/71/11/170067111.db2.gz UBSJUCRUOSEERR-CAOOACKPSA-N -1 3 262.353 2.586 50 30 CFEAHM COc1cc(C(=O)/C=C/c2cccnc2)ccc1[O-] ZINC000007621515 170294632 /nfs/dbraw/zinc/29/46/32/170294632.db2.gz QWECOYPNOLERNY-GQCTYLIASA-N -1 3 255.273 2.692 50 30 CFEAHM COc1cc(-c2c(C)c(C)nc(N)c2C#N)ccc1[O-] ZINC000053278131 175546673 /nfs/dbraw/zinc/54/66/73/175546673.db2.gz HNQSKHAXHKDBGG-UHFFFAOYSA-N -1 3 269.304 2.534 50 30 CFEAHM Cc1c2c(ccc1[O-])C(=O)/C(=C/c1ccccn1)O2 ZINC000041248331 280260025 /nfs/dbraw/zinc/26/00/25/280260025.db2.gz USKJXWQPHAIEEZ-JYRVWZFOSA-N -1 3 253.257 2.712 50 30 CFEAHM COc1ccc(C=C2C(=O)c3ccccc3C2=O)c([O-])c1 ZINC000000280942 651104166 /nfs/dbraw/zinc/10/41/66/651104166.db2.gz YXLOCSTVOOKPJR-UHFFFAOYSA-N -1 3 280.279 2.863 50 30 CFEAHM N#Cc1ccc(C(=O)OC[C@@H]2CCOc3ccccc32)[n-]1 ZINC000155363816 347986710 /nfs/dbraw/zinc/98/67/10/347986710.db2.gz RKMMTGLEXRWYOJ-NSHDSACASA-N -1 3 282.299 2.609 50 30 CFEAHM [O-]N=Cc1c(Cl)nc(Cl)n1-c1ccccc1 ZINC000308925356 348404927 /nfs/dbraw/zinc/40/49/27/348404927.db2.gz BGJRRMRFYMAGAC-UHFFFAOYSA-N -1 3 256.092 2.987 50 30 CFEAHM COC(=O)c1cnc(S[C@H](C)c2ccc(C#N)cc2)[n-]1 ZINC000193549384 189645016 /nfs/dbraw/zinc/64/50/16/189645016.db2.gz ZWXVFCRAOOSCNP-SECBINFHSA-N -1 3 287.344 2.921 50 30 CFEAHM COC(=O)c1ccc(/N=C/c2ccccc2[O-])cc1 ZINC000000485332 371628531 /nfs/dbraw/zinc/62/85/31/371628531.db2.gz DNMJZIFVMMRREY-MHWRWJLKSA-N -1 3 255.273 2.929 50 30 CFEAHM N#CCc1nnc(CSc2ccc(Cl)cc2)[n-]1 ZINC000003470273 371802431 /nfs/dbraw/zinc/80/24/31/371802431.db2.gz FBEXDJOWXLKCOG-UHFFFAOYSA-N -1 3 264.741 2.816 50 30 CFEAHM N#CCc1nc(CSc2ccc(Cl)cc2)n[n-]1 ZINC000003470273 371802433 /nfs/dbraw/zinc/80/24/33/371802433.db2.gz FBEXDJOWXLKCOG-UHFFFAOYSA-N -1 3 264.741 2.816 50 30 CFEAHM N#CCc1n[n-]c(CSc2ccc(Cl)cc2)n1 ZINC000003470273 371802435 /nfs/dbraw/zinc/80/24/35/371802435.db2.gz FBEXDJOWXLKCOG-UHFFFAOYSA-N -1 3 264.741 2.816 50 30 CFEAHM C=CCSc1nc2nc(=S)[n-]c(=S)c-2c[nH]1 ZINC000004335123 371851836 /nfs/dbraw/zinc/85/18/36/371851836.db2.gz IPSZSAFRARCINS-UHFFFAOYSA-N -1 3 268.392 2.649 50 30 CFEAHM Cc1onc(-c2c(F)cccc2Cl)c1/C(N)=N/[O-] ZINC000004382461 371853613 /nfs/dbraw/zinc/85/36/13/371853613.db2.gz MWHRNNMKKGAIMO-UHFFFAOYSA-N -1 3 269.663 2.537 50 30 CFEAHM [O-]c1ccccc1[C@@H](C#Cc1ccccc1)N1CCOCC1 ZINC000019368525 372158114 /nfs/dbraw/zinc/15/81/14/372158114.db2.gz JJGXBEHOZAMDAR-GOSISDBHSA-N -1 3 293.366 2.817 50 30 CFEAHM Cc1oc(/N=C/c2ccc(O)cc2[O-])c(C#N)c1C ZINC000100174858 375614131 /nfs/dbraw/zinc/61/41/31/375614131.db2.gz GLNBXMSBVDXZQR-FRKPEAEDSA-N -1 3 256.261 2.930 50 30 CFEAHM Cc1oc(/N=C/c2ccc([O-])cc2O)c(C#N)c1C ZINC000100174858 375614134 /nfs/dbraw/zinc/61/41/34/375614134.db2.gz GLNBXMSBVDXZQR-FRKPEAEDSA-N -1 3 256.261 2.930 50 30 CFEAHM CC(=CCc1ccccc1)N=Nc1nnc(SCC#N)[n-]1 ZINC000245254038 382996862 /nfs/dbraw/zinc/99/68/62/382996862.db2.gz YEHKGMLFLMTBOX-KKKMGPSGSA-N -1 3 298.375 2.922 50 30 CFEAHM CC(=CCc1ccccc1)N=Nc1n[n-]c(SCC#N)n1 ZINC000245254038 382996868 /nfs/dbraw/zinc/99/68/68/382996868.db2.gz YEHKGMLFLMTBOX-KKKMGPSGSA-N -1 3 298.375 2.922 50 30 CFEAHM 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CFEAHM C/C(=N\Cc1ccccc1)c1ccc(O)c([O-])c1O ZINC000000098288 371530127 /nfs/dbraw/zinc/53/01/27/371530127.db2.gz PGUBZPPZZZQMJQ-MHWRWJLKSA-N -1 3 257.289 2.813 50 30 CFEAHM COc1ccc(/C=N/c2nnc(SC)s2)c([O-])c1 ZINC000000104667 371530949 /nfs/dbraw/zinc/53/09/49/371530949.db2.gz AHTRJLHIWIITGR-WUXMJOGZSA-N -1 3 281.362 2.725 50 30 CFEAHM C#CCN1C(=O)S/C(=C\c2cc(Cl)ccc2[O-])C1=O ZINC000001413688 371673965 /nfs/dbraw/zinc/67/39/65/371673965.db2.gz MMAGDEHNROSVAW-XFFZJAGNSA-N -1 3 293.731 2.715 50 30 CFEAHM N#CC(=NNc1cccc([O-])c1)c1nc2ccccc2[nH]1 ZINC000004262758 371846069 /nfs/dbraw/zinc/84/60/69/371846069.db2.gz NZCWEMKHNIAXSV-XSFVSMFZSA-N -1 3 277.287 2.608 50 30 CFEAHM [O-]c1ccccc1/C=N/c1ccc(N2CCOCC2)cc1 ZINC000016449122 372106928 /nfs/dbraw/zinc/10/69/28/372106928.db2.gz WPPYOODXRLUZOK-QGOAFFKASA-N -1 3 282.343 2.979 50 30 CFEAHM O=c1[n-][nH]c2c1[C@@H](c1ccccc1F)C1=C(CCCC1=O)N2 ZINC000018195855 372143375 /nfs/dbraw/zinc/14/33/75/372143375.db2.gz GIKVMMVBJURRTP-LBPRGKRZSA-N -1 3 299.305 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285.332 2.759 50 30 CFEAHM O=C(Cc1cccs1)Nc1nc(-c2ccccn2)n[n-]1 ZINC000064372411 373822977 /nfs/dbraw/zinc/82/29/77/373822977.db2.gz KTPBDWDBOKUFIP-UHFFFAOYSA-N -1 3 285.332 2.759 50 30 CFEAHM O=C(Cc1cccs1)Nc1n[n-]c(-c2ccccn2)n1 ZINC000064372411 373822989 /nfs/dbraw/zinc/82/29/89/373822989.db2.gz KTPBDWDBOKUFIP-UHFFFAOYSA-N -1 3 285.332 2.759 50 30 CFEAHM C#CCC[N-]S(=O)(=O)c1cc(C)c(Cl)cc1Cl ZINC000070640815 374201104 /nfs/dbraw/zinc/20/11/04/374201104.db2.gz FAAQEGJVBZWTQG-UHFFFAOYSA-N -1 3 292.187 2.603 50 30 CFEAHM CCCc1c2c(nc(N)c1C#N)-c1cccc([O-])c1C2 ZINC000071753712 374221920 /nfs/dbraw/zinc/22/19/20/374221920.db2.gz NOCYKQPKPFBLDR-UHFFFAOYSA-N -1 3 265.316 2.765 50 30 CFEAHM O=c1[nH]c2ccccc2nc1C=C([O-])c1ccccc1 ZINC000100297001 375617964 /nfs/dbraw/zinc/61/79/64/375617964.db2.gz VYSUSLXZOLRSEX-GXDHUFHOSA-N -1 3 264.284 2.817 50 30 CFEAHM COc1ccc(NC(=O)C(=O)C=C([O-])C(C)(C)C)cc1 ZINC000100669089 375625743 /nfs/dbraw/zinc/62/57/43/375625743.db2.gz XFNSJEIYDZJKGI-FMIVXFBMSA-N -1 3 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282.274 2.957 50 30 CFEAHM Cc1c2c(ccc1[O-])C(=O)/C(=C/c1cccnc1)O2 ZINC000011731164 278610012 /nfs/dbraw/zinc/61/00/12/278610012.db2.gz LRDGARJOLZMYEK-QPEQYQDCSA-N -1 3 253.257 2.712 50 30 CFEAHM O=C1CCCC2=Nc3nonc3[N-][C@@H](c3cccs3)C12 ZINC000012408401 304624402 /nfs/dbraw/zinc/62/44/02/304624402.db2.gz HEAQSNNWBYOAPN-NSHDSACASA-N -1 3 288.332 2.717 50 30 CFEAHM N#CC1(C(=O)Nc2ccc([O-])cc2F)CCCCC1 ZINC000096500460 534548500 /nfs/dbraw/zinc/54/85/00/534548500.db2.gz MUODETIYBRXMKV-UHFFFAOYSA-N -1 3 262.284 2.944 50 30 CFEAHM Cc1cc(Cl)cc(NC(=O)c2cc(C#N)c[nH]2)c1[O-] ZINC000097011620 185151728 /nfs/dbraw/zinc/15/17/28/185151728.db2.gz BZBSHXFDDJCXCU-UHFFFAOYSA-N -1 3 275.695 2.806 50 30 CFEAHM C=CC[C@@]1(C(=O)[O-])CCCN(Cc2ccccc2C#N)C1 ZINC000091382046 180144329 /nfs/dbraw/zinc/14/43/29/180144329.db2.gz HFTNHEYGZDFRKB-QGZVFWFLSA-N -1 3 284.359 2.801 50 30 CFEAHM O=C1CCCC2=Nc3nonc3[N-][C@@H]([C@@H]3CC=CCC3)C12 ZINC000012389403 371958558 /nfs/dbraw/zinc/95/85/58/371958558.db2.gz 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ZINC000001447254 371675248 /nfs/dbraw/zinc/67/52/48/371675248.db2.gz ZFWDNNOTLQJZBP-QPEQYQDCSA-N -1 3 297.339 2.679 50 30 CFEAHM N#Cc1ccccc1[N-]C(=S)NC(=O)c1cccc(F)c1 ZINC000000529086 371634804 /nfs/dbraw/zinc/63/48/04/371634804.db2.gz GGJLQMHYUGDLEU-UHFFFAOYSA-N -1 3 299.330 2.824 50 30 CFEAHM C/C(=N\NC(=S)NC(C)(C)C)c1cc(F)ccc1[O-] ZINC000004300055 371848953 /nfs/dbraw/zinc/84/89/53/371848953.db2.gz WJFUTPUXEJRIHQ-LZYBPNLTSA-N -1 3 283.372 2.518 50 30 CFEAHM N#CCCn1cc(/C=N/[O-])c(-c2ccc(Cl)cc2)n1 ZINC000005715629 371885320 /nfs/dbraw/zinc/88/53/20/371885320.db2.gz VRSYZZVIYZANOY-LZYBPNLTSA-N -1 3 274.711 2.925 50 30 CFEAHM O=c1[n-][nH]c2c1[C@H](c1ccccc1F)C1=C(CCCC1=O)N2 ZINC000018195854 372143513 /nfs/dbraw/zinc/14/35/13/372143513.db2.gz GIKVMMVBJURRTP-GFCCVEGCSA-N -1 3 299.305 2.819 50 30 CFEAHM O=c1[nH][n-]c2c1[C@H](c1ccccc1F)C1=C(CCCC1=O)N2 ZINC000018195854 372143524 /nfs/dbraw/zinc/14/35/24/372143524.db2.gz GIKVMMVBJURRTP-GFCCVEGCSA-N -1 3 299.305 2.819 50 30 CFEAHM O=C(C=Cc1ccco1)Nc1nnc(-c2ccccn2)[n-]1 ZINC000058314490 373644763 /nfs/dbraw/zinc/64/47/63/373644763.db2.gz OOCZXMJFPRLVLD-VOTSOKGWSA-N -1 3 281.275 2.761 50 30 CFEAHM O=C(C=Cc1ccco1)Nc1nc(-c2ccccn2)n[n-]1 ZINC000058314490 373644768 /nfs/dbraw/zinc/64/47/68/373644768.db2.gz OOCZXMJFPRLVLD-VOTSOKGWSA-N -1 3 281.275 2.761 50 30 CFEAHM O=C(C=Cc1ccco1)Nc1n[n-]c(-c2ccccn2)n1 ZINC000058314490 373644769 /nfs/dbraw/zinc/64/47/69/373644769.db2.gz OOCZXMJFPRLVLD-VOTSOKGWSA-N -1 3 281.275 2.761 50 30 CFEAHM NC(=O)c1ccccc1/N=C/c1cc(Cl)ccc1[O-] ZINC000098212990 375610685 /nfs/dbraw/zinc/61/06/85/375610685.db2.gz ZPUSBQTYOUQEPN-CAOOACKPSA-N -1 3 274.707 2.895 50 30 CFEAHM N#CC(=C([O-])C=Cc1cccc([N+](=O)[O-])c1)c1ccccn1 ZINC000049456341 412944828 /nfs/dbraw/zinc/94/48/28/412944828.db2.gz UPJITZGCKHMPCY-WBTMPAOCSA-N -1 3 293.282 2.879 50 30 CFEAHM Cc1ccc(C=Nc2nnc(C(F)(F)F)[n-]2)cc1 ZINC000004292539 393457072 /nfs/dbraw/zinc/45/70/72/393457072.db2.gz RFOISNGUGBOQKV-GIDUJCDVSA-N -1 3 254.215 2.883 50 30 CFEAHM Cc1ccc(C=Nc2n[n-]c(C(F)(F)F)n2)cc1 ZINC000004292539 393457078 /nfs/dbraw/zinc/45/70/78/393457078.db2.gz RFOISNGUGBOQKV-GIDUJCDVSA-N -1 3 254.215 2.883 50 30 CFEAHM Cc1ccc(C=Nc2nc(C(F)(F)F)n[n-]2)cc1 ZINC000004292539 393457081 /nfs/dbraw/zinc/45/70/81/393457081.db2.gz RFOISNGUGBOQKV-GIDUJCDVSA-N -1 3 254.215 2.883 50 30 CFEAHM O=C(/C=C\c1cnc(N2CCCC2)nc1)c1cccc([O-])c1 ZINC000096307303 393819286 /nfs/dbraw/zinc/81/92/86/393819286.db2.gz JNXIADYCXPJBPH-SREVYHEPSA-N -1 3 295.342 2.679 50 30 CFEAHM COC(=O)c1ccc2c(c1)C(=O)/C(=C/c1ccc([O-])cc1)O2 ZINC000005047777 170060856 /nfs/dbraw/zinc/06/08/56/170060856.db2.gz PTQFQYKDIQOOMX-NVNXTCNLSA-N -1 3 296.278 2.795 50 30 biogenic,in-vitro CFEAHM Cc1ccc(C/N=C/c2c([O-])c(C)ncc2CO)cc1 ZINC000005110720 170066978 /nfs/dbraw/zinc/06/69/78/170066978.db2.gz QLRZPNXYBHTPRO-RQZCQDPDSA-N -1 3 270.332 2.515 50 30 CFEAHM CCc1ccc(/N=C/c2c([O-])c(C)ncc2CO)cc1 ZINC000005110606 170067289 /nfs/dbraw/zinc/06/72/89/170067289.db2.gz SABMJVZDCUBQDY-GIJQJNRQSA-N 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BANJZMBYTJTIOT-YUMQZZPRSA-N -1 3 280.315 2.574 50 30 CFEAHM [O-]/N=C/c1c(Cl)ncnc1N1CCc2ccccc2C1 ZINC000096345722 375485483 /nfs/dbraw/zinc/48/54/83/375485483.db2.gz GYBATKJTCKIMDX-CNHKJKLMSA-N -1 3 288.738 2.501 50 30 CFEAHM COc1cc(C(=O)/C=C\c2cnc3ccccn23)ccc1[O-] ZINC000096297567 256774032 /nfs/dbraw/zinc/77/40/32/256774032.db2.gz APQCWFCRVOLNRU-VURMDHGXSA-N -1 3 294.310 2.945 50 30 CFEAHM CC1(C)CCC2=C(O1)C(=O)c1c([O-])cccc1C2=O ZINC000033832919 393516919 /nfs/dbraw/zinc/51/69/19/393516919.db2.gz MYROJYNCTNKRCD-UHFFFAOYSA-N -1 3 258.273 2.614 50 30 biogenic,in-vitro CFEAHM CCSCCC(=O)Nc1nnc(-c2ccccn2)[n-]1 ZINC000044978217 397571370 /nfs/dbraw/zinc/57/13/70/397571370.db2.gz VCKJGBBKJWQJLB-UHFFFAOYSA-N -1 3 277.353 2.598 50 30 CFEAHM CCSCCC(=O)Nc1nc(-c2ccccn2)n[n-]1 ZINC000044978217 397571376 /nfs/dbraw/zinc/57/13/76/397571376.db2.gz VCKJGBBKJWQJLB-UHFFFAOYSA-N -1 3 277.353 2.598 50 30 CFEAHM CCSCCC(=O)Nc1n[n-]c(-c2ccccn2)n1 ZINC000044978217 397571380 /nfs/dbraw/zinc/57/13/80/397571380.db2.gz VCKJGBBKJWQJLB-UHFFFAOYSA-N -1 3 277.353 2.598 50 30 CFEAHM C=CCc1cccc(CN=Nc2nc(C)cc(C)n2)c1[O-] ZINC000004877991 170035675 /nfs/dbraw/zinc/03/56/75/170035675.db2.gz VMMWJQKWUFQXME-LICLKQGHSA-N -1 3 282.347 2.974 50 30 CFEAHM COc1cc(C(=O)/C=C/c2c(Cl)cnn2C)ccc1[O-] ZINC000006925458 170255713 /nfs/dbraw/zinc/25/57/13/170255713.db2.gz ANISAUNWAXSGMX-GQCTYLIASA-N -1 3 292.722 2.684 50 30 CFEAHM CC(=NN=c1[nH]c2ccccc2s1)c1ccc(O)cc1[O-] ZINC000007894721 170306423 /nfs/dbraw/zinc/30/64/23/170306423.db2.gz NKORNCNMEVYGGM-RQZCQDPDSA-N -1 3 299.355 2.966 50 30 CFEAHM N#Cc1ccc2nc(C=C([O-])c3ccccc3)c(=O)[nH]c2c1 ZINC000077024236 177153642 /nfs/dbraw/zinc/15/36/42/177153642.db2.gz QPPDRMQKYWDARB-OQLLNIDSSA-N -1 3 289.294 2.689 50 30 CFEAHM CC(=O)OC1=C([O-])c2ccccc2C(=O)C1=CC(C)C ZINC000000402473 277093078 /nfs/dbraw/zinc/09/30/78/277093078.db2.gz SVQGABAJPMGSFZ-UHFFFAOYSA-N -1 3 272.300 2.929 50 30 CFEAHM C=CCN(CC=C)[C@H](C(=O)[O-])c1ccc(F)c(C)c1 ZINC000055099603 518772167 /nfs/dbraw/zinc/77/21/67/518772167.db2.gz QIUPMJVGQQRWKB-AWEZNQCLSA-N -1 3 263.312 2.934 50 30 CFEAHM COc1cc(C(=O)/C=C\c2cccnc2)ccc1[O-] ZINC000096792742 185114820 /nfs/dbraw/zinc/11/48/20/185114820.db2.gz QWECOYPNOLERNY-XQRVVYSFSA-N -1 3 255.273 2.692 50 30 CFEAHM COc1ccc(C)cc1C([O-])=C(C#N)c1ccccn1 ZINC000073971200 346987466 /nfs/dbraw/zinc/98/74/66/346987466.db2.gz FLUNYSLIEIRODD-ZDUSSCGKSA-N -1 3 266.300 2.889 50 30 CFEAHM N#Cc1ccc(C(=O)OC[C@H]2CCOc3ccccc32)[n-]1 ZINC000155363922 347986715 /nfs/dbraw/zinc/98/67/15/347986715.db2.gz RKMMTGLEXRWYOJ-LLVKDONJSA-N -1 3 282.299 2.609 50 30 CFEAHM CSc1nnc(SC(C(C)=O)=C(C)[O-])s1 ZINC000000124532 371535914 /nfs/dbraw/zinc/53/59/14/371535914.db2.gz ZGFCGPIQLOURTI-XQRVVYSFSA-N -1 3 262.381 2.731 50 30 CFEAHM [O-]c1ccccc1/C=N/N1CCN(c2ccccc2)CC1 ZINC000000136490 371539582 /nfs/dbraw/zinc/53/95/82/371539582.db2.gz COUGRZCODVFOPO-NBVRZTHBSA-N -1 3 281.359 2.548 50 30 CFEAHM O=C(CCn1c2ccccc2c2ccccc21)N[O-] ZINC000026442527 372319200 /nfs/dbraw/zinc/31/92/00/372319200.db2.gz GXJRDAZEIZNCSL-UHFFFAOYSA-N -1 3 254.289 2.690 50 30 CFEAHM C=CCNc1ncc(C(=O)[N-]c2c(C)noc2CC)s1 ZINC000089943804 374975239 /nfs/dbraw/zinc/97/52/39/374975239.db2.gz LOPJFJQSGABVEI-UHFFFAOYSA-N -1 3 292.364 2.852 50 30 CFEAHM O=c1[nH]c2ccccc2nc1C=C([O-])c1ccc(F)cc1 ZINC000100295502 375618388 /nfs/dbraw/zinc/61/83/88/375618388.db2.gz UIXFWJVCVKBYOF-ZROIWOOFSA-N -1 3 282.274 2.957 50 30 CFEAHM O=C1CCCN1CCC/N=C/c1c([O-])ccc2ccccc21 ZINC000102909253 375699636 /nfs/dbraw/zinc/69/96/36/375699636.db2.gz CVPFEOXBPTVUGK-CPNJWEJPSA-N -1 3 296.370 2.977 50 30 CFEAHM O=C1CCCC2=Nc3nonc3[N-][C@H]([C@@H]3CC=CCC3)C12 ZINC000012389402 296316924 /nfs/dbraw/zinc/31/69/24/296316924.db2.gz XHKCYSLHXHASQQ-NOZJJQNGSA-N -1 3 286.335 2.639 50 30 CFEAHM C=CCON=C([O-])Nc1ccc(Br)cc1 ZINC000005382796 170092510 /nfs/dbraw/zinc/09/25/10/170092510.db2.gz OGUKVTJODOJKJA-UHFFFAOYSA-N -1 3 271.114 2.688 50 30 CFEAHM C=CCO[N-]C(=O)Nc1ccc(Br)cc1 ZINC000005382796 170092511 /nfs/dbraw/zinc/09/25/11/170092511.db2.gz OGUKVTJODOJKJA-UHFFFAOYSA-N -1 3 271.114 2.688 50 30 CFEAHM CSC(=N)N/N=C/c1c([O-])ccc2ccccc21 ZINC000005721281 170133256 /nfs/dbraw/zinc/13/32/56/170133256.db2.gz BPWGWGHGYGRHAL-OVCLIPMQSA-N -1 3 259.334 2.767 50 30 CFEAHM [O-]c1ccccc1/C=N\NC(=S)Nc1ccccc1 ZINC000039945257 174176186 /nfs/dbraw/zinc/17/61/86/174176186.db2.gz BKJAPBJJTOJXEZ-GDNBJRDFSA-N -1 3 271.345 2.713 50 30 CFEAHM O=c1[nH]c2cccc(O)c2nc1C=C([O-])c1ccccc1 ZINC000077024286 177153750 /nfs/dbraw/zinc/15/37/50/177153750.db2.gz MJFNDRGQHWPFJU-FMIVXFBMSA-N -1 3 280.283 2.523 50 30 CFEAHM CC(C)C[C@@H]1OCCC[C@@H]1NC(=O)c1csc(=O)[n-]1 ZINC000330967049 264091377 /nfs/dbraw/zinc/09/13/77/264091377.db2.gz ABYRZRBJGRAZEN-ONGXEEELSA-N -1 3 284.381 2.747 50 30 CFEAHM