smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(C)cc1CC(=O)NNc1ccc(-c2nn[nH]n2)cc1 ZINC000826190227 607351342 /nfs/dbraw/zinc/35/13/42/607351342.db2.gz USOQJGKQFHSIAH-UHFFFAOYSA-N 0 0 338.371 1.870 20 50 EDGDRN O=C(NNc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCOc2ccccc21 ZINC000826446621 607357087 /nfs/dbraw/zinc/35/70/87/607357087.db2.gz RWZMWBVGPLCYGH-CQSZACIVSA-N 0 0 336.355 1.876 20 50 EDGDRN COc1cccc(C(=O)NNc2ccc(-c3nn[nH]n3)cc2)c1O ZINC000826214210 607464669 /nfs/dbraw/zinc/46/46/69/607464669.db2.gz DMGZXLKDUWLPTI-UHFFFAOYSA-N 0 0 326.316 1.338 20 50 EDGDRN COc1ccc(C(=O)NNc2cccc(-c3nn[nH]n3)c2)cc1OC ZINC000826187518 607711796 /nfs/dbraw/zinc/71/17/96/607711796.db2.gz UNYRGCJBGIMMNM-UHFFFAOYSA-N 0 0 340.343 1.641 20 50 EDGDRN CC(=O)Nc1ccc(C(=O)NNc2cccc(-c3nn[nH]n3)c2)cc1 ZINC000824000081 607714880 /nfs/dbraw/zinc/71/48/80/607714880.db2.gz TVAAXKPGTKVSCC-UHFFFAOYSA-N 0 0 337.343 1.582 20 50 EDGDRN C[C@@H](OCc1ccccc1)C(=O)NNc1cccc(-c2nn[nH]n2)c1 ZINC000824732061 607720512 /nfs/dbraw/zinc/72/05/12/607720512.db2.gz ZRKMIJOULMCVSW-GFCCVEGCSA-N 0 0 338.371 1.915 20 50 EDGDRN O=C(CO[C@@H]1CCCN(C(=O)[O-])C1)NNc1cc[nH+]c2ccccc12 ZINC000831517342 605300565 /nfs/dbraw/zinc/30/05/65/605300565.db2.gz QFCDYVDTPNRGPH-GFCCVEGCSA-N 0 0 344.371 1.259 20 50 EDGDRN C[C@@H]1C[N@H+](CCC(=O)[O-])CCN1CCCI ZINC000833628463 605844491 /nfs/dbraw/zinc/84/44/91/605844491.db2.gz IMWGKKWGPRQILZ-SNVBAGLBSA-N 0 0 340.205 1.292 20 50 EDGDRN O=C([O-])NNC(=O)NCCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000834250175 605973775 /nfs/dbraw/zinc/97/37/75/605973775.db2.gz DNLLVHCHEUJACC-UHFFFAOYSA-N 0 0 336.392 1.186 20 50 EDGDRN O=C(NN=c1nc[nH]c2ccsc21)c1cc(-c2nn[nH]n2)cs1 ZINC000823285719 607097337 /nfs/dbraw/zinc/09/73/37/607097337.db2.gz ZOISRPGNDKHCMS-UHFFFAOYSA-N 0 0 344.385 1.690 20 50 EDGDRN O=C(C[C@H](O)c1cccc(F)c1)NNc1cccc(-c2nn[nH]n2)c1 ZINC000826404145 608277425 /nfs/dbraw/zinc/27/74/25/608277425.db2.gz PKDVZCLXTLHEOR-AWEZNQCLSA-N 0 0 342.334 1.573 20 50 EDGDRN N#CC1=CCN(C(=O)CSCc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826380595 608387169 /nfs/dbraw/zinc/38/71/69/608387169.db2.gz GTYQBVPLIZGBTJ-UHFFFAOYSA-N 0 0 340.412 1.782 20 50 EDGDRN O=C(CCc1ccc(-c2nn[nH]n2)cc1)NN=c1[nH]c2ccccc2[nH]1 ZINC000826408847 608549505 /nfs/dbraw/zinc/54/95/05/608549505.db2.gz XJGIWZLBAFZWAY-UHFFFAOYSA-N 0 0 348.370 1.819 20 50 EDGDRN C[C@H](NS(=O)(=O)CBr)c1ccc(-c2nn[nH]n2)cc1 ZINC000824633833 608803583 /nfs/dbraw/zinc/80/35/83/608803583.db2.gz QQCRCSSCIVYZSK-ZETCQYMHSA-N 0 0 346.210 1.200 20 50 EDGDRN CC(C)Oc1ccc(-c2nn[nH]n2)cc1NC(=O)NNC(=O)C(C)C ZINC000824319671 608842692 /nfs/dbraw/zinc/84/26/92/608842692.db2.gz YISAOAYAHQUURG-UHFFFAOYSA-N 0 0 347.379 1.463 20 50 EDGDRN N#CCc1ccccc1CC(=O)NNc1ccc(-c2nn[nH]n2)cc1 ZINC000826382734 609260466 /nfs/dbraw/zinc/26/04/66/609260466.db2.gz RYYNTXHNRBFZEZ-UHFFFAOYSA-N 0 0 333.355 1.619 20 50 EDGDRN O=C(NNc1ccc(-c2nn[nH]n2)cc1)[C@H](F)Cc1ccccc1 ZINC000826446670 609391208 /nfs/dbraw/zinc/39/12/08/609391208.db2.gz UJGDNRMIDKWIGP-CQSZACIVSA-N 0 0 326.335 1.891 20 50 EDGDRN N#Cc1cc(C(=O)NNc2ccc(-c3nn[nH]n3)c(Cl)c2)c[nH]1 ZINC000826383672 609498030 /nfs/dbraw/zinc/49/80/30/609498030.db2.gz LCZILNHDFLRTDM-UHFFFAOYSA-N 0 0 328.723 1.477 20 50 EDGDRN CCc1ccccc1OCC(=O)NNc1cccc(-c2nn[nH]n2)c1 ZINC000825727941 607335734 /nfs/dbraw/zinc/33/57/34/607335734.db2.gz GIEBKWIQEPWSOL-UHFFFAOYSA-N 0 0 338.371 1.951 20 50 EDGDRN COc1ccc(C(=O)NNc2ccc(-c3nn[nH]n3)cc2)cc1F ZINC000826187139 607340453 /nfs/dbraw/zinc/34/04/53/607340453.db2.gz BUWVEPFBVGEFAT-UHFFFAOYSA-N 0 0 328.307 1.771 20 50 EDGDRN O=C(NNc1ccc(-c2nn[nH]n2)cc1)c1ccccc1-n1cccn1 ZINC000826447006 607349944 /nfs/dbraw/zinc/34/99/44/607349944.db2.gz JAKOMPAYPINOAA-UHFFFAOYSA-N 0 0 346.354 1.809 20 50 EDGDRN CCc1ccc(OCC(=O)NNc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000825717175 607350144 /nfs/dbraw/zinc/35/01/44/607350144.db2.gz IHLXYHBSXNXGTQ-UHFFFAOYSA-N 0 0 338.371 1.951 20 50 EDGDRN O=Cc1ccc(OCC(=O)NNc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000826484149 607353450 /nfs/dbraw/zinc/35/34/50/607353450.db2.gz PMLNKNRKLPHBCB-UHFFFAOYSA-N 0 0 338.327 1.201 20 50 EDGDRN O=C(NNc1ccc(-c2nn[nH]n2)cc1)c1cc(Cl)ccc1O ZINC000826447002 607465239 /nfs/dbraw/zinc/46/52/39/607465239.db2.gz IXGDCWBVHWCOTN-UHFFFAOYSA-N 0 0 330.735 1.983 20 50 EDGDRN O=C([O-])N[C@H]1CCC[C@H](C(=O)NNc2cc[nH+]c3ccccc23)C1 ZINC000832326222 603581831 /nfs/dbraw/zinc/58/18/31/603581831.db2.gz PPJMRVKFKYMDLQ-RYUDHWBXSA-N 0 0 328.372 1.926 20 50 EDGDRN Cc1nc(C(=O)NNc2cccc(-c3nn[nH]n3)c2)c2ccccn12 ZINC000826323592 607717563 /nfs/dbraw/zinc/71/75/63/607717563.db2.gz JXOHVPULBBRKNA-UHFFFAOYSA-N 0 0 334.343 1.580 20 50 EDGDRN Cn1nc2c(c1C(=O)NNc1cccc(-c3nn[nH]n3)c1)CCCC2 ZINC000826365733 607719672 /nfs/dbraw/zinc/71/96/72/607719672.db2.gz AWQMXJNAWSCVHK-UHFFFAOYSA-N 0 0 338.375 1.236 20 50 EDGDRN C[C@@H](Oc1ccccc1-c1nn[nH]n1)C(=O)NNc1cccc(C#N)c1 ZINC000824745312 607725568 /nfs/dbraw/zinc/72/55/68/607725568.db2.gz QUTHFEPYJFRPDI-LLVKDONJSA-N 0 0 349.354 1.649 20 50 EDGDRN O=C(NNc1ccccc1Br)c1ccc(-c2nn[nH]n2)[nH]1 ZINC000826449553 607756528 /nfs/dbraw/zinc/75/65/28/607756528.db2.gz YNCVTMXFRCRQNL-UHFFFAOYSA-N 0 0 348.164 1.714 20 50 EDGDRN O=C(NNc1ccc(Br)cc1)c1cc(-c2nn[nH]n2)c[nH]1 ZINC000823281809 606253230 /nfs/dbraw/zinc/25/32/30/606253230.db2.gz YHJHIBCNAIHVEF-UHFFFAOYSA-N 0 0 348.164 1.714 20 50 EDGDRN CC1(C)CCC[C@H](C(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)C1 ZINC000824803446 607894047 /nfs/dbraw/zinc/89/40/47/607894047.db2.gz UVAVSPJVJGTSMC-ZDUSSCGKSA-N 0 0 342.403 1.844 20 50 EDGDRN C[C@H]1CN(C(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)CC[C@@H]1C ZINC000824949618 608311209 /nfs/dbraw/zinc/31/12/09/608311209.db2.gz YGXDZTSKYOHFBG-QWRGUYRKSA-N 0 0 343.391 1.199 20 50 EDGDRN Cc1cc(C)[nH]c(=NNC(=O)Nc2ccc(F)cc2-c2nn[nH]n2)n1 ZINC000826265527 608813531 /nfs/dbraw/zinc/81/35/31/608813531.db2.gz CRERAUFVHZGTQC-UHFFFAOYSA-N 0 0 343.326 1.561 20 50 EDGDRN Cc1cc2ccccc2[nH]c1=NNC(=O)c1ccc(-c2nn[nH]n2)cn1 ZINC000826273250 609263072 /nfs/dbraw/zinc/26/30/72/609263072.db2.gz VJEMQNYYNGQZHF-UHFFFAOYSA-N 0 0 346.354 1.875 20 50 EDGDRN COc1cc(C(=O)NNc2ccc(-c3nn[nH]n3)cc2)ccc1F ZINC000826176956 607338304 /nfs/dbraw/zinc/33/83/04/607338304.db2.gz LLCTUIYRVZPXAB-UHFFFAOYSA-N 0 0 328.307 1.771 20 50 EDGDRN CC(C)(C)C(=O)NCCCC(=O)NNc1cccc(-c2nn[nH]n2)c1 ZINC000824072669 607718191 /nfs/dbraw/zinc/71/81/91/607718191.db2.gz XKEJDIVJTVIIDX-UHFFFAOYSA-N 0 0 345.407 1.252 20 50 EDGDRN CS[C@@H](C)CNC(=O)C(C#N)=Cc1cc(-c2nn[nH]n2)n(C)c1C ZINC000826226053 607764275 /nfs/dbraw/zinc/76/42/75/607764275.db2.gz RAPXBCOGIKBBGO-NRIUJFNNSA-N 0 0 345.432 1.288 20 50 EDGDRN O=C(NNc1cccc(-c2nn[nH]n2)c1)N[C@@H]1CCCc2[nH]ccc21 ZINC000823280785 606176879 /nfs/dbraw/zinc/17/68/79/606176879.db2.gz GFDKOWQIVCGCCP-CQSZACIVSA-N 0 0 338.375 1.899 20 50 EDGDRN O=C(NN=c1nc[nH]c2ccsc21)c1ccc(-c2nn[nH]n2)nc1 ZINC000823284874 607097295 /nfs/dbraw/zinc/09/72/95/607097295.db2.gz LLEOASMBTYMZIG-UHFFFAOYSA-N 0 0 339.344 1.023 20 50 EDGDRN N#Cc1ccccc1OCC(=O)NN=Cc1ccccc1-c1nn[nH]n1 ZINC000826387457 607882764 /nfs/dbraw/zinc/88/27/64/607882764.db2.gz WDRARJSRYPIKSW-UHFFFAOYSA-N 0 0 347.338 1.267 20 50 EDGDRN CCC[C@@H]1C[C@@H](C(=O)NNc2cccc(-c3nn[nH]n3)c2)CCO1 ZINC000825251187 609164263 /nfs/dbraw/zinc/16/42/63/609164263.db2.gz AMXCFDUDIHSEIQ-GXTWGEPZSA-N 0 0 330.392 1.905 20 50 EDGDRN CC(=NNC(=O)c1ccncc1)c1ccc(-c2nn[nH]n2)cc1F ZINC000823953814 609273472 /nfs/dbraw/zinc/27/34/72/609273472.db2.gz RDEFZNAJRGFFBR-UHFFFAOYSA-N 0 0 325.307 1.555 20 50 EDGDRN CCOC(=O)C(C#N)=Cc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1 ZINC000825484826 609302547 /nfs/dbraw/zinc/30/25/47/609302547.db2.gz AYQJBVIPJNGAKN-MDWZMJQESA-N 0 0 349.354 1.737 20 50 EDGDRN C[C@@H](Oc1cccnc1)C(=O)NNc1ccc(-c2nn[nH]n2)cc1 ZINC000824757367 607347983 /nfs/dbraw/zinc/34/79/83/607347983.db2.gz VQIIDXZHWPCNFV-SNVBAGLBSA-N 0 0 325.332 1.172 20 50 EDGDRN O=C(C[C@H]1C(=O)Nc2ccccc21)NNc1ccc(-c2nn[nH]n2)cc1 ZINC000826403868 607348487 /nfs/dbraw/zinc/34/84/87/607348487.db2.gz GMZJDHKCAMACJV-CYBMUJFWSA-N 0 0 349.354 1.436 20 50 EDGDRN Cc1ccc(F)c(OCC(=O)NNc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000826290075 607346867 /nfs/dbraw/zinc/34/68/67/607346867.db2.gz YZPXCQKWZTZHKW-UHFFFAOYSA-N 0 0 342.334 1.836 20 50 EDGDRN O=C(NNc1ccc(-c2nn[nH]n2)cc1)c1ccc([N+](=O)[O-])cc1F ZINC000826447303 607349918 /nfs/dbraw/zinc/34/99/18/607349918.db2.gz ZAKOKDOHNFWDRY-UHFFFAOYSA-N 0 0 343.278 1.671 20 50 EDGDRN CC(C)Nc1ncccc1C(=O)NNc1ccc(-c2nn[nH]n2)cc1 ZINC000824304877 607351049 /nfs/dbraw/zinc/35/10/49/607351049.db2.gz HLJTUSXXXOKWLJ-UHFFFAOYSA-N 0 0 338.375 1.839 20 50 EDGDRN CC(C)c1noc(CCC(=O)NNc2ccc(-c3nn[nH]n3)cc2)n1 ZINC000824371598 607354797 /nfs/dbraw/zinc/35/47/97/607354797.db2.gz LFUQNHBZRZUPOG-UHFFFAOYSA-N 0 0 342.363 1.449 20 50 EDGDRN CCNc1ncc(C(=O)NNc2cccc(-c3nn[nH]n3)c2)s1 ZINC000825485516 607462833 /nfs/dbraw/zinc/46/28/33/607462833.db2.gz GTXLIAAMIWOSIP-UHFFFAOYSA-N 0 0 330.377 1.512 20 50 EDGDRN COc1ccc(O)c(C(=O)NNc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000826210122 607464756 /nfs/dbraw/zinc/46/47/56/607464756.db2.gz FILCFISGABYALI-UHFFFAOYSA-N 0 0 326.316 1.338 20 50 EDGDRN CCc1nc(C)c(C(=O)NNc2cccc(-c3nn[nH]n3)c2)s1 ZINC000825745756 607717017 /nfs/dbraw/zinc/71/70/17/607717017.db2.gz NYZXTVGZSRUOSH-UHFFFAOYSA-N 0 0 329.389 1.951 20 50 EDGDRN N#Cc1cccc(NNC(=O)CNc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000826387195 607726554 /nfs/dbraw/zinc/72/65/54/607726554.db2.gz KFQWVRIOJYHWIL-UHFFFAOYSA-N 0 0 334.343 1.294 20 50 EDGDRN Cn1nc(C(C)(C)C)cc1C(=O)NNc1cccc(-c2nn[nH]n2)c1 ZINC000826365927 607731656 /nfs/dbraw/zinc/73/16/56/607731656.db2.gz KNWWXBFLLWEESM-UHFFFAOYSA-N 0 0 340.391 1.655 20 50 EDGDRN O=C(NNc1ccc(Br)nc1)c1cc(-c2nn[nH]n2)c[nH]1 ZINC000823281162 606274870 /nfs/dbraw/zinc/27/48/70/606274870.db2.gz MZNXJOVIHNVLRO-UHFFFAOYSA-N 0 0 349.152 1.109 20 50 EDGDRN N#Cc1cc(Cl)nc(NNC(=O)c2sccc2-c2nn[nH]n2)c1 ZINC000826384066 608582106 /nfs/dbraw/zinc/58/21/06/608582106.db2.gz FPAFVJCBPBHOFC-UHFFFAOYSA-N 0 0 346.763 1.605 20 50 EDGDRN N#CC(=Cc1ccc(F)c(-c2nn[nH]n2)c1)C(=O)NC1CCCC1 ZINC000826378990 608877333 /nfs/dbraw/zinc/87/73/33/608877333.db2.gz GLCRUOMRVOVCSY-YRNVUSSQSA-N 0 0 326.335 1.972 20 50 EDGDRN CC(=NNC(=O)c1c[nH]nc1C)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000823948094 609158695 /nfs/dbraw/zinc/15/86/95/609158695.db2.gz CUDHKWRFSCOBKM-UHFFFAOYSA-N 0 0 328.311 1.191 20 50 EDGDRN CC[C@H](C(=O)NNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)c1ccccc1 ZINC000825038489 609458601 /nfs/dbraw/zinc/45/86/01/609458601.db2.gz CXAKEUZRNMWOPL-LBPRGKRZSA-N 0 0 339.359 1.150 20 50 EDGDRN Cc1cc2ncc(C(=O)NNc3ccc(-c4nn[nH]n4)cc3)c(C)n2n1 ZINC000826273141 607340650 /nfs/dbraw/zinc/34/06/50/607340650.db2.gz RDYZXCCEQYJZEG-UHFFFAOYSA-N 0 0 349.358 1.283 20 50 EDGDRN O=C(NNc1ccc(-c2nn[nH]n2)cc1)c1cn(-c2ccccc2)nn1 ZINC000826447552 607341391 /nfs/dbraw/zinc/34/13/91/607341391.db2.gz LBPHIMOUALOGSB-UHFFFAOYSA-N 0 0 347.342 1.204 20 50 EDGDRN Cc1nc(C(=O)NNc2ccc(-c3nn[nH]n3)cc2)c2ccccn12 ZINC000826323649 607343596 /nfs/dbraw/zinc/34/35/96/607343596.db2.gz LYRYJNVSJVUUFB-UHFFFAOYSA-N 0 0 334.343 1.580 20 50 EDGDRN O=Cc1ccccc1OCC(=O)NNc1ccc(-c2nn[nH]n2)cc1 ZINC000826484105 607353435 /nfs/dbraw/zinc/35/34/35/607353435.db2.gz NPSNAZIHQLTFTB-UHFFFAOYSA-N 0 0 338.327 1.201 20 50 EDGDRN CCc1ccccc1OCC(=O)NNc1ccc(-c2nn[nH]n2)cc1 ZINC000825728586 607355134 /nfs/dbraw/zinc/35/51/34/607355134.db2.gz QXTJFYQFVOJFIZ-UHFFFAOYSA-N 0 0 338.371 1.951 20 50 EDGDRN Cc1cc(F)ccc1NNC(=O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000826269015 607393047 /nfs/dbraw/zinc/39/30/47/607393047.db2.gz XRYLTTIFXGPQRE-UHFFFAOYSA-N 0 0 342.334 1.836 20 50 EDGDRN Cc1c(NNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)cccc1[N+](=O)[O-] ZINC000826243035 607396080 /nfs/dbraw/zinc/39/60/80/607396080.db2.gz RDXZCMAGWVXMIC-UHFFFAOYSA-N 0 0 328.292 1.168 20 50 EDGDRN COc1cccc(OC)c1C(=O)NNc1ccc(-c2nn[nH]n2)cc1 ZINC000826217610 607463023 /nfs/dbraw/zinc/46/30/23/607463023.db2.gz VCAGXBDOVPSPPR-UHFFFAOYSA-N 0 0 340.343 1.641 20 50 EDGDRN O=C(NNc1cccc(-c2nn[nH]n2)c1)c1cc(-c2ccco2)n[nH]1 ZINC000826448192 607720058 /nfs/dbraw/zinc/72/00/58/607720058.db2.gz LJLKHXXTPDFOJE-UHFFFAOYSA-N 0 0 336.315 1.607 20 50 EDGDRN CCCNC(=O)CCCC(=O)NNc1cccc(-c2nn[nH]n2)c1 ZINC000825326370 607725982 /nfs/dbraw/zinc/72/59/82/607725982.db2.gz CDYOZVODEXOTEP-UHFFFAOYSA-N 0 0 331.380 1.006 20 50 EDGDRN O=C(NNc1cccc(-c2nn[nH]n2)c1)c1cnc2ccccc2c1O ZINC000826448349 607730799 /nfs/dbraw/zinc/73/07/99/607730799.db2.gz RFZXULNLYIGUKW-UHFFFAOYSA-N 0 0 347.338 1.465 20 50 EDGDRN O=C(NNc1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1)c1cnc[nH]1 ZINC000823280771 606129292 /nfs/dbraw/zinc/12/92/92/606129292.db2.gz FUIRIVIXVSKNGA-UHFFFAOYSA-N 0 0 338.253 1.366 20 50 EDGDRN COC1CCC(CC(=O)NNc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826144654 607995520 /nfs/dbraw/zinc/99/55/20/607995520.db2.gz OQQNWFXSYOTEGD-UHFFFAOYSA-N 0 0 330.392 1.905 20 50 EDGDRN CC(C)n1cccc1C(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000824371822 608120459 /nfs/dbraw/zinc/12/04/59/608120459.db2.gz UOMBKPSBMUDLTO-UHFFFAOYSA-N 0 0 339.359 1.324 20 50 EDGDRN CCC1(O)CCC(NC(=O)NNc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000825176626 608274012 /nfs/dbraw/zinc/27/40/12/608274012.db2.gz ZZKCQVGOAMONMQ-UHFFFAOYSA-N 0 0 345.407 1.577 20 50 EDGDRN C=CCCC[C@@H](C)NC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000823894706 608589518 /nfs/dbraw/zinc/58/95/18/608589518.db2.gz WIIYKZAJHDQVFX-LLVKDONJSA-N 0 0 343.391 1.556 20 50 EDGDRN Cc1cn2cc(NC(=O)NNc3cccc(-c4nn[nH]n4)c3)ccc2n1 ZINC000826316936 608809469 /nfs/dbraw/zinc/80/94/69/608809469.db2.gz FYYSWBQICVEOEA-UHFFFAOYSA-N 0 0 349.358 1.971 20 50 EDGDRN COc1cccc(NNC(=O)c2ccc(Cl)c(-c3nn[nH]n3)c2)n1 ZINC000826217585 609262804 /nfs/dbraw/zinc/26/28/04/609262804.db2.gz UAXMPBFTIUJFLR-UHFFFAOYSA-N 0 0 345.750 1.681 20 50 EDGDRN CC1(C(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)CCCCCC1 ZINC000824783679 609295370 /nfs/dbraw/zinc/29/53/70/609295370.db2.gz IMDQDNRPCHWZQL-UHFFFAOYSA-N 0 0 342.403 1.988 20 50 EDGDRN CC[C@@H]1C[C@H](CC(=O)NNc2cccc(-c3nn[nH]n3)c2)CCO1 ZINC000825184538 609416846 /nfs/dbraw/zinc/41/68/46/609416846.db2.gz 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