smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCC(=O)NN=Cc1c[nH]c2ccc(-c3nnn[n-]3)cc12 ZINC000820837743 945566181 /nfs/dbraw/zinc/56/61/81/945566181.db2.gz MMEUGSPYDKYQDR-UHFFFAOYSA-N -1 3 283.295 1.208 20 50 CDGDHM CCC(=O)NN=Cc1c[nH]c2ccc(-c3nn[n-]n3)cc12 ZINC000820837743 945566184 /nfs/dbraw/zinc/56/61/84/945566184.db2.gz MMEUGSPYDKYQDR-UHFFFAOYSA-N -1 3 283.295 1.208 20 50 CDGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1 ZINC000826447275 607340156 /nfs/dbraw/zinc/34/01/56/607340156.db2.gz XPVUMCWGWUKLOZ-UHFFFAOYSA-N -1 3 298.281 1.763 20 50 CDGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000826446239 607342270 /nfs/dbraw/zinc/34/22/70/607342270.db2.gz FDDRFCJEDQEJAW-GDNZZTSVSA-N -1 3 284.323 1.356 20 50 CDGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1cccc(F)c1 ZINC000826448596 607716213 /nfs/dbraw/zinc/71/62/13/607716213.db2.gz BUSLSKZOQYFQEL-UHFFFAOYSA-N -1 3 298.281 1.763 20 50 CDGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1cccc(F)c1 ZINC000826448596 607716214 /nfs/dbraw/zinc/71/62/14/607716214.db2.gz BUSLSKZOQYFQEL-UHFFFAOYSA-N -1 3 298.281 1.763 20 50 CDGDHM C[C@@H]1CCCC1=NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736262983 944777818 /nfs/dbraw/zinc/77/78/18/944777818.db2.gz OUHGVTCRVAAMKH-SECBINFHSA-N -1 3 284.323 1.773 20 50 CDGDHM C[C@@H]1CCCC1=NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736262983 944777826 /nfs/dbraw/zinc/77/78/26/944777826.db2.gz OUHGVTCRVAAMKH-SECBINFHSA-N -1 3 284.323 1.773 20 50 CDGDHM CCNC(=O)NN=C1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC000821293652 945664361 /nfs/dbraw/zinc/66/43/61/945664361.db2.gz MZOUOVWFYPMBPS-UHFFFAOYSA-N -1 3 299.338 1.226 20 50 CDGDHM CCNC(=O)NN=C1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000821293652 945664365 /nfs/dbraw/zinc/66/43/65/945664365.db2.gz MZOUOVWFYPMBPS-UHFFFAOYSA-N -1 3 299.338 1.226 20 50 CDGDHM C=C(CBr)CN1CCC(C(=O)[O-])CC1 ZINC001602712183 971354538 /nfs/dbraw/zinc/35/45/38/971354538.db2.gz IYNCZENVQDFGAU-UHFFFAOYSA-N -1 3 262.147 1.734 20 50 CDGDHM O=C([O-])[C@@H]1CCCN(CCI)C1 ZINC001595165024 952208092 /nfs/dbraw/zinc/20/80/92/952208092.db2.gz KGQNVYHSSBGCMR-SSDOTTSWSA-N -1 3 283.109 1.218 20 50 CDGDHM Cc1ccccc1NNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826307363 608114154 /nfs/dbraw/zinc/11/41/54/608114154.db2.gz FLHZIGZCGAOGLU-UHFFFAOYSA-N -1 3 283.295 1.260 20 50 CDGDHM Cc1ccccc1NNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826307363 608114155 /nfs/dbraw/zinc/11/41/55/608114155.db2.gz FLHZIGZCGAOGLU-UHFFFAOYSA-N -1 3 283.295 1.260 20 50 CDGDHM CC(C)(C)OCC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000824119359 609389806 /nfs/dbraw/zinc/38/98/06/609389806.db2.gz GIDJTOAYZMORFZ-UHFFFAOYSA-N -1 3 290.327 1.125 20 50 CDGDHM CC(C)(C)OCC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000824119359 609389808 /nfs/dbraw/zinc/38/98/08/609389808.db2.gz GIDJTOAYZMORFZ-UHFFFAOYSA-N -1 3 290.327 1.125 20 50 CDGDHM CC(Cl)=CC(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC001575207217 952533757 /nfs/dbraw/zinc/53/37/57/952533757.db2.gz OVDYOGGPORSJHO-VOTSOKGWSA-N -1 3 278.703 1.452 20 50 CDGDHM O=C(C=CC1CC1)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826399671 607334557 /nfs/dbraw/zinc/33/45/57/607334557.db2.gz BZLGDVPPKSCCQO-SREVYHEPSA-N -1 3 270.296 1.276 20 50 CDGDHM O=C(C=CC1CC1)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826399671 607334559 /nfs/dbraw/zinc/33/45/59/607334559.db2.gz BZLGDVPPKSCCQO-SREVYHEPSA-N -1 3 270.296 1.276 20 50 CDGDHM CC(C)CONC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000824272161 607560907 /nfs/dbraw/zinc/56/09/07/607560907.db2.gz UWQHPYWTYOUBST-UHFFFAOYSA-N -1 3 291.315 1.080 20 50 CDGDHM CC(C)CONC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000824272161 607560908 /nfs/dbraw/zinc/56/09/08/607560908.db2.gz UWQHPYWTYOUBST-UHFFFAOYSA-N -1 3 291.315 1.080 20 50 CDGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000826448569 607719887 /nfs/dbraw/zinc/71/98/87/607719887.db2.gz ANTUAORFZBYAGQ-UHFFFAOYSA-N -1 3 280.291 1.624 20 50 CDGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000826448569 607719889 /nfs/dbraw/zinc/71/98/89/607719889.db2.gz ANTUAORFZBYAGQ-UHFFFAOYSA-N -1 3 280.291 1.624 20 50 CDGDHM O=C(CCC1CC1)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826405386 607724674 /nfs/dbraw/zinc/72/46/74/607724674.db2.gz DGTMVCXLBDELNP-UHFFFAOYSA-N -1 3 272.312 1.500 20 50 CDGDHM O=C(CCC1CC1)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826405386 607724676 /nfs/dbraw/zinc/72/46/76/607724676.db2.gz DGTMVCXLBDELNP-UHFFFAOYSA-N -1 3 272.312 1.500 20 50 CDGDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CC=C(C#N)CC1 ZINC000826244654 609166149 /nfs/dbraw/zinc/16/61/49/609166149.db2.gz ZTLVAFJYKPTFDQ-UHFFFAOYSA-N -1 3 294.318 1.471 20 50 CDGDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CC=C(C#N)CC1 ZINC000826244654 609166151 /nfs/dbraw/zinc/16/61/51/609166151.db2.gz ZTLVAFJYKPTFDQ-UHFFFAOYSA-N -1 3 294.318 1.471 20 50 CDGDHM O=C(NN=C[C@H]1CC=CCC1)c1cccc(-c2nnn[n-]2)c1 ZINC000738129275 945200995 /nfs/dbraw/zinc/20/09/95/945200995.db2.gz SIABFRNTPLSHNQ-NSHDSACASA-N -1 3 296.334 1.939 20 50 CDGDHM O=C(NN=C[C@H]1CC=CCC1)c1cccc(-c2nn[n-]n2)c1 ZINC000738129275 945201004 /nfs/dbraw/zinc/20/10/04/945201004.db2.gz SIABFRNTPLSHNQ-NSHDSACASA-N -1 3 296.334 1.939 20 50 CDGDHM CC(C)OC(=O)C(C#N)=Cc1ccc(-c2nnn[n-]2)s1 ZINC000820137295 945359794 /nfs/dbraw/zinc/35/97/94/945359794.db2.gz IJPPYUIZYBRNHH-YVMONPNESA-N -1 3 289.320 1.787 20 50 CDGDHM C[C@@H]1C[C@@H]1C=NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820668619 945519720 /nfs/dbraw/zinc/51/97/20/945519720.db2.gz VPGZEMJRVMDOTN-LDYMZIIASA-N -1 3 270.296 1.238 20 50 CDGDHM C[C@@H]1C[C@@H]1C=NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820668619 945519724 /nfs/dbraw/zinc/51/97/24/945519724.db2.gz VPGZEMJRVMDOTN-LDYMZIIASA-N -1 3 270.296 1.238 20 50 CDGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1ccsc1 ZINC000826447671 607352197 /nfs/dbraw/zinc/35/21/97/607352197.db2.gz QNWJNWUOJGZZGZ-UHFFFAOYSA-N -1 3 286.320 1.685 20 50 CDGDHM CC(=CC(=O)NNc1cccc(-c2nnn[n-]2)c1)C1CC1 ZINC000823943569 607729095 /nfs/dbraw/zinc/72/90/95/607729095.db2.gz QLKDLCQJCZAYIE-VQHVLOKHSA-N -1 3 284.323 1.666 20 50 CDGDHM CC(=CC(=O)NNc1cccc(-c2nn[n-]n2)c1)C1CC1 ZINC000823943569 607729096 /nfs/dbraw/zinc/72/90/96/607729096.db2.gz QLKDLCQJCZAYIE-VQHVLOKHSA-N -1 3 284.323 1.666 20 50 CDGDHM CC[C@@H](C)OCC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000825074991 607756339 /nfs/dbraw/zinc/75/63/39/607756339.db2.gz MMZSCHJQWDUYLR-SECBINFHSA-N -1 3 290.327 1.125 20 50 CDGDHM CC[C@@H](C)OCC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000825074991 607756340 /nfs/dbraw/zinc/75/63/40/607756340.db2.gz MMZSCHJQWDUYLR-SECBINFHSA-N -1 3 290.327 1.125 20 50 CDGDHM N#CC1=CCN(C(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826381078 608387531 /nfs/dbraw/zinc/38/75/31/608387531.db2.gz WSBHYJFOZPTFNC-UHFFFAOYSA-N -1 3 280.291 1.163 20 50 CDGDHM N#CC1=CCN(C(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826381078 608387530 /nfs/dbraw/zinc/38/75/30/608387530.db2.gz WSBHYJFOZPTFNC-UHFFFAOYSA-N -1 3 280.291 1.163 20 50 CDGDHM CC(=NNC(=O)c1cccc(-c2nnn[n-]2)c1)C(C)C ZINC000735448105 944657412 /nfs/dbraw/zinc/65/74/12/944657412.db2.gz OUYGELHLMRRFSR-UHFFFAOYSA-N -1 3 272.312 1.628 20 50 CDGDHM CC(=NNC(=O)c1cccc(-c2nn[n-]n2)c1)C(C)C ZINC000735448105 944657415 /nfs/dbraw/zinc/65/74/15/944657415.db2.gz OUYGELHLMRRFSR-UHFFFAOYSA-N -1 3 272.312 1.628 20 50 CDGDHM O=C(NNc1ccccc1F)c1cccc(-c2nnn[n-]2)c1 ZINC000826449447 607338553 /nfs/dbraw/zinc/33/85/53/607338553.db2.gz TURFZWJYROSNDK-UHFFFAOYSA-N -1 3 298.281 1.763 20 50 CDGDHM O=C(NNc1ccccc1F)c1cccc(-c2nn[n-]n2)c1 ZINC000826449447 607338554 /nfs/dbraw/zinc/33/85/54/607338554.db2.gz TURFZWJYROSNDK-UHFFFAOYSA-N -1 3 298.281 1.763 20 50 CDGDHM O=C(NNc1cccc(F)c1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000826449286 607673032 /nfs/dbraw/zinc/67/30/32/607673032.db2.gz KNIKLWGROJDMDC-UHFFFAOYSA-N -1 3 287.258 1.091 20 50 CDGDHM O=C(NNc1cccc(F)c1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000826449286 607673034 /nfs/dbraw/zinc/67/30/34/607673034.db2.gz KNIKLWGROJDMDC-UHFFFAOYSA-N -1 3 287.258 1.091 20 50 CDGDHM CCOC(=O)C(C#N)=CNc1ccccc1-c1nnn[n-]1 ZINC000736586913 944848551 /nfs/dbraw/zinc/84/85/51/944848551.db2.gz QZKGEXBWMCWPCP-CMDGGOBGSA-N -1 3 284.279 1.249 20 50 CDGDHM CCOC(=O)C(C#N)=CNc1ccccc1-c1nn[n-]n1 ZINC000736586913 944848557 /nfs/dbraw/zinc/84/85/57/944848557.db2.gz QZKGEXBWMCWPCP-CMDGGOBGSA-N -1 3 284.279 1.249 20 50 CDGDHM CN1CCC[C@@H](NC(=O)NNc2cccc(C(=O)[O-])c2)C1 ZINC001598594501 993484122 /nfs/dbraw/zinc/48/41/22/993484122.db2.gz OUTBNCPDFGFLTM-GFCCVEGCSA-N -1 3 292.339 1.105 20 50 CDGDHM N#CC1=CCN(C(=O)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826380439 608387617 /nfs/dbraw/zinc/38/76/17/608387617.db2.gz AHUYWIHYRLPAGW-UHFFFAOYSA-N -1 3 280.291 1.163 20 50 CDGDHM N#CC1=CCN(C(=O)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826380439 608387620 /nfs/dbraw/zinc/38/76/20/608387620.db2.gz AHUYWIHYRLPAGW-UHFFFAOYSA-N -1 3 280.291 1.163 20 50 CDGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)[C@@H]1CCSC1 ZINC000826446559 607348761 /nfs/dbraw/zinc/34/87/61/607348761.db2.gz QHKXVJNPRCBHPZ-SECBINFHSA-N -1 3 290.352 1.063 20 50 CDGDHM CC(C)(C)C=CC(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000824077446 607355809 /nfs/dbraw/zinc/35/58/09/607355809.db2.gz BILGJZMKFFDWOT-CMDGGOBGSA-N -1 3 286.339 1.912 20 50 CDGDHM O=C(C=CC1CC1)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826399988 607354384 /nfs/dbraw/zinc/35/43/84/607354384.db2.gz MFSCGQZZCLRFRF-BAQGIRSFSA-N -1 3 270.296 1.276 20 50 CDGDHM CC1(C(=O)NNc2cccc(-c3nnn[n-]3)c2)CCCC1 ZINC000824783038 607717222 /nfs/dbraw/zinc/71/72/22/607717222.db2.gz BPYBDCZQVVOSKR-UHFFFAOYSA-N -1 3 286.339 1.890 20 50 CDGDHM CC1(C(=O)NNc2cccc(-c3nn[n-]n3)c2)CCCC1 ZINC000824783038 607717224 /nfs/dbraw/zinc/71/72/24/607717224.db2.gz BPYBDCZQVVOSKR-UHFFFAOYSA-N -1 3 286.339 1.890 20 50 CDGDHM CC(=NNC(=O)C1CC1)c1ccc(-c2nnn[n-]2)cc1F ZINC000823948732 609273556 /nfs/dbraw/zinc/27/35/56/609273556.db2.gz VLAGILSCDIUFSD-UHFFFAOYSA-N -1 3 288.286 1.256 20 50 CDGDHM CC(=NNC(=O)C1CC1)c1ccc(-c2nn[n-]n2)cc1F ZINC000823948732 609273557 /nfs/dbraw/zinc/27/35/57/609273557.db2.gz VLAGILSCDIUFSD-UHFFFAOYSA-N -1 3 288.286 1.256 20 50 CDGDHM CC(=NNC(=O)C(F)F)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823948436 609450032 /nfs/dbraw/zinc/45/00/32/609450032.db2.gz MPHPOLGDSFHHMK-UHFFFAOYSA-N -1 3 298.228 1.111 20 50 CDGDHM CC(=NNC(=O)C(F)F)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823948436 609450033 /nfs/dbraw/zinc/45/00/33/609450033.db2.gz MPHPOLGDSFHHMK-UHFFFAOYSA-N -1 3 298.228 1.111 20 50 CDGDHM C[C@H](CBr)CN1CCC(C#N)(C(=O)[O-])CC1 ZINC001592210852 977257318 /nfs/dbraw/zinc/25/73/18/977257318.db2.gz HDISVSCFZJAYRP-SECBINFHSA-N -1 3 289.173 1.708 20 50 CDGDHM O=C(NNc1ccccc1F)c1ccc(-c2nnn[n-]2)cn1 ZINC000826449517 607340139 /nfs/dbraw/zinc/34/01/39/607340139.db2.gz WRYJTNWMEILHLO-UHFFFAOYSA-N -1 3 299.269 1.158 20 50 CDGDHM O=C(NNc1ccccc1F)c1ccc(-c2nn[n-]n2)cn1 ZINC000826449517 607340141 /nfs/dbraw/zinc/34/01/41/607340141.db2.gz WRYJTNWMEILHLO-UHFFFAOYSA-N -1 3 299.269 1.158 20 50 CDGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)[C@H]1C[C@@H]1C1CC1 ZINC000826446476 607345002 /nfs/dbraw/zinc/34/50/02/607345002.db2.gz NBVPCOKKQFGSOY-NEPJUHHUSA-N -1 3 284.323 1.356 20 50 CDGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1cncs1 ZINC000826449107 607716360 /nfs/dbraw/zinc/71/63/60/607716360.db2.gz BXKXDSBMPHQSHW-UHFFFAOYSA-N -1 3 287.308 1.080 20 50 CDGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1cncs1 ZINC000826449107 607716361 /nfs/dbraw/zinc/71/63/61/607716361.db2.gz BXKXDSBMPHQSHW-UHFFFAOYSA-N -1 3 287.308 1.080 20 50 CDGDHM Cc1cc(C)cc(NNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)c1 ZINC000826264565 607756272 /nfs/dbraw/zinc/75/62/72/607756272.db2.gz SKIHKPXYTDXUDT-UHFFFAOYSA-N -1 3 297.322 1.569 20 50 CDGDHM Cc1cc(C)cc(NNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)c1 ZINC000826264565 607756273 /nfs/dbraw/zinc/75/62/73/607756273.db2.gz SKIHKPXYTDXUDT-UHFFFAOYSA-N -1 3 297.322 1.569 20 50 CDGDHM CCCNC(=O)C(C#N)=Cc1ccccc1-c1nnn[n-]1 ZINC000825328702 607884201 /nfs/dbraw/zinc/88/42/01/607884201.db2.gz VYDKBYCRTJFBJQ-FLIBITNWSA-N -1 3 282.307 1.300 20 50 CDGDHM CCCNC(=O)C(C#N)=Cc1ccccc1-c1nn[n-]n1 ZINC000825328702 607884202 /nfs/dbraw/zinc/88/42/02/607884202.db2.gz VYDKBYCRTJFBJQ-FLIBITNWSA-N -1 3 282.307 1.300 20 50 CDGDHM CC[C@@H](C)C=NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825061152 607887834 /nfs/dbraw/zinc/88/78/34/607887834.db2.gz WQUZZZGCMSOOPV-SECBINFHSA-N -1 3 272.312 1.628 20 50 CDGDHM CC[C@@H](C)C=NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825061152 607887835 /nfs/dbraw/zinc/88/78/35/607887835.db2.gz WQUZZZGCMSOOPV-SECBINFHSA-N -1 3 272.312 1.628 20 50 CDGDHM CCCN1CCC[C@H]1C(=O)NNc1cccc(C(=O)[O-])c1 ZINC001595907880 982985470 /nfs/dbraw/zinc/98/54/70/982985470.db2.gz INGOHNJRFZOBBZ-ZDUSSCGKSA-N -1 3 291.351 1.702 20 50 CDGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)C1=COCCC1 ZINC000826446141 607345944 /nfs/dbraw/zinc/34/59/44/607345944.db2.gz BGMNPCOXXPFDTC-UHFFFAOYSA-N -1 3 286.295 1.004 20 50 CDGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)C1CC(F)(F)C1 ZINC000826446592 607348878 /nfs/dbraw/zinc/34/88/78/607348878.db2.gz QZIXHWNYYKMEBB-UHFFFAOYSA-N -1 3 294.265 1.355 20 50 CDGDHM O=C(CCc1ccoc1)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826409223 607350556 /nfs/dbraw/zinc/35/05/56/607350556.db2.gz NLAGWIQMEKWKRC-UHFFFAOYSA-N -1 3 298.306 1.536 20 50 CDGDHM C[C@H]1CC[C@H](C)N1CC(=O)NN=c1ccc(C(=O)[O-])c[nH]1 ZINC000833605007 604805293 /nfs/dbraw/zinc/80/52/93/604805293.db2.gz 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DLINPYNJOMJCSF-SREVYHEPSA-N -1 3 290.308 1.311 20 50 CDGDHM N#CC1(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)CCCC1 ZINC000826380337 607343251 /nfs/dbraw/zinc/34/32/51/607343251.db2.gz VZWVAJCIAKWZNE-UHFFFAOYSA-N -1 3 297.322 1.394 20 50 CDGDHM Cc1ccc(C(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826281971 607715108 /nfs/dbraw/zinc/71/51/08/607715108.db2.gz RLNIELWEXOLCPK-UHFFFAOYSA-N -1 3 294.318 1.932 20 50 CDGDHM Cc1ccc(C(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826281971 607715110 /nfs/dbraw/zinc/71/51/10/607715110.db2.gz RLNIELWEXOLCPK-UHFFFAOYSA-N -1 3 294.318 1.932 20 50 CDGDHM O=C(CC1CCCC1)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826404336 607728297 /nfs/dbraw/zinc/72/82/97/607728297.db2.gz WRICVQMSBFOLFI-UHFFFAOYSA-N -1 3 286.339 1.890 20 50 CDGDHM O=C(CC1CCCC1)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826404336 607728299 /nfs/dbraw/zinc/72/82/99/607728299.db2.gz WRICVQMSBFOLFI-UHFFFAOYSA-N -1 3 286.339 1.890 20 50 CDGDHM CCc1[nH]c(C(=O)NNc2ccncc2)c(C)c1C(=O)[O-] ZINC000833667967 605726855 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ZINC000819773596 945287212 /nfs/dbraw/zinc/28/72/12/945287212.db2.gz WCGIZYPMZIWGRS-UHFFFAOYSA-N -1 3 296.290 1.614 20 50 CDGDHM CC(C)(C)C(=O)NN=Cc1ccc(-c2nnn[n-]2)s1 ZINC000819898740 945309164 /nfs/dbraw/zinc/30/91/64/945309164.db2.gz ILZNZLUUPTXPOX-UHFFFAOYSA-N -1 3 278.341 1.424 20 50 CDGDHM C[C@@H]1C[C@@H]1C=NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820664822 945513579 /nfs/dbraw/zinc/51/35/79/945513579.db2.gz CLTPMNFRGHPIHI-LDYMZIIASA-N -1 3 270.296 1.238 20 50 CDGDHM C[C@@H]1C[C@@H]1C=NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820664822 945513587 /nfs/dbraw/zinc/51/35/87/945513587.db2.gz CLTPMNFRGHPIHI-LDYMZIIASA-N -1 3 270.296 1.238 20 50 CDGDHM CCCN(CCI)CC(=O)[O-] ZINC001610251651 970707897 /nfs/dbraw/zinc/70/78/97/970707897.db2.gz SUCCIPVEAMJPPJ-UHFFFAOYSA-N -1 3 271.098 1.218 20 50 CDGDHM CC(C)CCC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000824243587 607335275 /nfs/dbraw/zinc/33/52/75/607335275.db2.gz JPYVKBNAEXQVMT-UHFFFAOYSA-N -1 3 274.328 1.746 20 50 CDGDHM CC(C)CCC(=O)NNc1cccc(-c2nn[n-]n2)c1 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291.290 1.001 20 50 CDGDHM CCNC(=O)N(C)N=Cc1ccc(-c2nn[n-]n2)cc1F ZINC000825470306 608752735 /nfs/dbraw/zinc/75/27/35/608752735.db2.gz AZLSFSHNJGPWML-UHFFFAOYSA-N -1 3 291.290 1.001 20 50 CDGDHM O=C(C=C1CCCC1)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826400102 607336039 /nfs/dbraw/zinc/33/60/39/607336039.db2.gz PDRSJGHADKIGBK-UHFFFAOYSA-N -1 3 284.323 1.810 20 50 CDGDHM O=C(C=C1CCCC1)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826400102 607336040 /nfs/dbraw/zinc/33/60/40/607336040.db2.gz PDRSJGHADKIGBK-UHFFFAOYSA-N -1 3 284.323 1.810 20 50 CDGDHM Cc1ccccc1C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826305961 607344316 /nfs/dbraw/zinc/34/43/16/607344316.db2.gz MYDOPRKDHWMVKE-UHFFFAOYSA-N -1 3 294.318 1.932 20 50 CDGDHM CCCC=CC(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000825259948 607352550 /nfs/dbraw/zinc/35/25/50/607352550.db2.gz LLVBLJQQDXBBJZ-SNAWJCMRSA-N -1 3 272.312 1.666 20 50 CDGDHM CC(C)CCC(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000824243083 607354548 /nfs/dbraw/zinc/35/45/48/607354548.db2.gz CYGDEGGUCBKJAS-UHFFFAOYSA-N -1 3 274.328 1.746 20 50 CDGDHM CCCC=NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825261442 607887643 /nfs/dbraw/zinc/88/76/43/607887643.db2.gz ZLUAFSNQNYARPB-UHFFFAOYSA-N -1 3 258.285 1.382 20 50 CDGDHM CCCC=NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825261442 607887644 /nfs/dbraw/zinc/88/76/44/607887644.db2.gz ZLUAFSNQNYARPB-UHFFFAOYSA-N -1 3 258.285 1.382 20 50 CDGDHM O=C(NNc1ccccn1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826449465 609263409 /nfs/dbraw/zinc/26/34/09/609263409.db2.gz UPAOZKNEBVPNLA-UHFFFAOYSA-N -1 3 281.279 1.019 20 50 CDGDHM O=C(NNc1ccccn1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826449465 609263412 /nfs/dbraw/zinc/26/34/12/609263412.db2.gz UPAOZKNEBVPNLA-UHFFFAOYSA-N -1 3 281.279 1.019 20 50 CDGDHM CC(=NNC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccoc1 ZINC000819772726 945285172 /nfs/dbraw/zinc/28/51/72/945285172.db2.gz KABBTJUJIUBKBH-UHFFFAOYSA-N -1 3 296.290 1.614 20 50 CDGDHM CC(=NNC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccoc1 ZINC000819772726 945285181 /nfs/dbraw/zinc/28/51/81/945285181.db2.gz KABBTJUJIUBKBH-UHFFFAOYSA-N -1 3 296.290 1.614 20 50 CDGDHM C=C(CBr)CN1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC001588444617 964064630 /nfs/dbraw/zinc/06/46/30/964064630.db2.gz KPKQERKQYLMKFQ-VHSXEESVSA-N -1 3 276.174 1.980 20 50 CDGDHM CCC=C(C)C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000825220135 607335522 /nfs/dbraw/zinc/33/55/22/607335522.db2.gz PLVZGSHKTHERPG-WEVVVXLNSA-N -1 3 272.312 1.666 20 50 CDGDHM CCC=C(C)C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000825220135 607335524 /nfs/dbraw/zinc/33/55/24/607335524.db2.gz PLVZGSHKTHERPG-WEVVVXLNSA-N -1 3 272.312 1.666 20 50 CDGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1ccoc1 ZINC000826447588 607353539 /nfs/dbraw/zinc/35/35/39/607353539.db2.gz MLLMNBICJWUERN-UHFFFAOYSA-N -1 3 270.252 1.217 20 50 CDGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1ccco1 ZINC000826447221 607357302 /nfs/dbraw/zinc/35/73/02/607357302.db2.gz UVFXGWYIMSQIHJ-UHFFFAOYSA-N -1 3 270.252 1.217 20 50 CDGDHM CSC=CC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826226570 607729516 /nfs/dbraw/zinc/72/95/16/607729516.db2.gz BSIOZUGZOKEBCP-WAYWQWQTSA-N -1 3 276.325 1.187 20 50 CDGDHM CSC=CC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826226570 607729518 /nfs/dbraw/zinc/72/95/18/607729518.db2.gz BSIOZUGZOKEBCP-WAYWQWQTSA-N -1 3 276.325 1.187 20 50 CDGDHM CC1(C)C[C@H]1C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000824795613 607756333 /nfs/dbraw/zinc/75/63/33/607756333.db2.gz ASHOHNGJNNEAJI-JTQLQIEISA-N -1 3 272.312 1.356 20 50 CDGDHM O=C(NNc1ccccc1)c1ccc(-c2nnn[n-]2)cn1 ZINC000738136672 945237429 /nfs/dbraw/zinc/23/74/29/945237429.db2.gz IUENKTAROFYUSR-UHFFFAOYSA-N -1 3 281.279 1.019 20 50 CDGDHM O=C(NNc1ccccc1)c1ccc(-c2nn[n-]n2)cn1 ZINC000738136672 945237434 /nfs/dbraw/zinc/23/74/34/945237434.db2.gz IUENKTAROFYUSR-UHFFFAOYSA-N -1 3 281.279 1.019 20 50 CDGDHM N#CC(=Cc1cc(-c2nnn[n-]2)cs1)C(=O)NC1CC1 ZINC000822796677 946187738 /nfs/dbraw/zinc/18/77/38/946187738.db2.gz VIQZQQJOUSYNKI-XVNBXDOJSA-N -1 3 286.320 1.114 20 50 CDGDHM N#CC(=Cc1cc(-c2nn[n-]n2)cs1)C(=O)NC1CC1 ZINC000822796677 946187747 /nfs/dbraw/zinc/18/77/47/946187747.db2.gz VIQZQQJOUSYNKI-XVNBXDOJSA-N 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-1 3 258.285 1.276 20 50 CDGDHM CCCCOCC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000825291380 607726183 /nfs/dbraw/zinc/72/61/83/607726183.db2.gz QIZNLVAZPPSZFZ-UHFFFAOYSA-N -1 3 290.327 1.127 20 50 CDGDHM CCCCOCC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000825291380 607726185 /nfs/dbraw/zinc/72/61/85/607726185.db2.gz QIZNLVAZPPSZFZ-UHFFFAOYSA-N -1 3 290.327 1.127 20 50 CDGDHM C=CCNC(=O)C(C#N)=Cc1ccc(-c2nnn[n-]2)cc1F ZINC000819751103 945281958 /nfs/dbraw/zinc/28/19/58/945281958.db2.gz PRQJYSNOTZSDGZ-WDZFZDKYSA-N -1 3 298.281 1.215 20 50 CDGDHM C=CCNC(=O)C(C#N)=Cc1ccc(-c2nn[n-]n2)cc1F ZINC000819751103 945281967 /nfs/dbraw/zinc/28/19/67/945281967.db2.gz PRQJYSNOTZSDGZ-WDZFZDKYSA-N -1 3 298.281 1.215 20 50 CDGDHM O=C(NN=Cc1ccc(-c2nnn[n-]2)cc1F)c1ccc[nH]1 ZINC000823273691 946386150 /nfs/dbraw/zinc/38/61/50/946386150.db2.gz UFQXBLLUXJGKIZ-UHFFFAOYSA-N -1 3 299.269 1.098 20 50 CDGDHM O=C(NN=Cc1ccc(-c2nn[n-]n2)cc1F)c1ccc[nH]1 ZINC000823273691 946386164 /nfs/dbraw/zinc/38/61/64/946386164.db2.gz UFQXBLLUXJGKIZ-UHFFFAOYSA-N -1 3 299.269 1.098 20 50 CDGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)C1CC=CC1 ZINC000826448224 607723061 /nfs/dbraw/zinc/72/30/61/607723061.db2.gz MVZSUYFNDCETQM-UHFFFAOYSA-N -1 3 270.296 1.276 20 50 CDGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)C1CC=CC1 ZINC000826448224 607723063 /nfs/dbraw/zinc/72/30/63/607723063.db2.gz MVZSUYFNDCETQM-UHFFFAOYSA-N -1 3 270.296 1.276 20 50 CDGDHM C[C@@H]1CC[C@H](C)N1CC(=O)NNc1cccc(C(=O)[O-])c1 ZINC000833605407 605774933 /nfs/dbraw/zinc/77/49/33/605774933.db2.gz ZJIBGJSMGKXKJG-PHIMTYICSA-N -1 3 291.351 1.701 20 50 CDGDHM CC1(C)C[C@@H]1C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000824795614 607807065 /nfs/dbraw/zinc/80/70/65/607807065.db2.gz ASHOHNGJNNEAJI-SNVBAGLBSA-N -1 3 272.312 1.356 20 50 CDGDHM N#CC(=Cc1ccccc1-c1nnn[n-]1)C(=O)NC1CC1 ZINC000826379443 607883792 /nfs/dbraw/zinc/88/37/92/607883792.db2.gz RRQVZHPYTNIBFP-JXMROGBWSA-N -1 3 280.291 1.052 20 50 CDGDHM N#CC(=Cc1ccccc1-c1nn[n-]n1)C(=O)NC1CC1 ZINC000826379443 607883793 /nfs/dbraw/zinc/88/37/93/607883793.db2.gz RRQVZHPYTNIBFP-JXMROGBWSA-N -1 3 280.291 1.052 20 50 CDGDHM CC[C@@H](C)C(=O)NN=Cc1ccccc1-c1nnn[n-]1 ZINC000825049827 607886886 /nfs/dbraw/zinc/88/68/86/607886886.db2.gz FLONVCAQCZIHDK-SECBINFHSA-N -1 3 272.312 1.363 20 50 CDGDHM CC[C@@H](C)C(=O)NN=Cc1ccccc1-c1nn[n-]n1 ZINC000825049827 607886887 /nfs/dbraw/zinc/88/68/87/607886887.db2.gz FLONVCAQCZIHDK-SECBINFHSA-N -1 3 272.312 1.363 20 50 CDGDHM CC(=NNC(=O)N(C)C)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823948240 609159328 /nfs/dbraw/zinc/15/93/28/609159328.db2.gz IORRMHCEFYUFCD-UHFFFAOYSA-N -1 3 291.290 1.001 20 50 CDGDHM CC(=NNC(=O)N(C)C)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823948240 609159330 /nfs/dbraw/zinc/15/93/30/609159330.db2.gz IORRMHCEFYUFCD-UHFFFAOYSA-N -1 3 291.290 1.001 20 50 CDGDHM Cc1ccccc1NNC(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000737434425 945065027 /nfs/dbraw/zinc/06/50/27/945065027.db2.gz FZMCBYQWSPDYQF-UHFFFAOYSA-N -1 3 295.306 1.327 20 50 CDGDHM Cc1ccccc1NNC(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000737434425 945065018 /nfs/dbraw/zinc/06/50/18/945065018.db2.gz FZMCBYQWSPDYQF-UHFFFAOYSA-N -1 3 295.306 1.327 20 50 CDGDHM CCOc1cc(-c2nnn[n-]2)ccc1OC/C=C\C#N ZINC000821395575 945688790 /nfs/dbraw/zinc/68/87/90/945688790.db2.gz ZOTCNDKUFUAZFS-ARJAWSKDSA-N -1 3 271.280 1.724 20 50 CDGDHM CCOc1cc(-c2nn[n-]n2)ccc1OC/C=C\C#N ZINC000821395575 945688798 /nfs/dbraw/zinc/68/87/98/945688798.db2.gz ZOTCNDKUFUAZFS-ARJAWSKDSA-N -1 3 271.280 1.724 20 50 CDGDHM CC1(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)CCC1 ZINC000824783058 607345443 /nfs/dbraw/zinc/34/54/43/607345443.db2.gz BTIIRGMIQQFUNM-UHFFFAOYSA-N -1 3 272.312 1.500 20 50 CDGDHM CSC=CC(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826227504 607352505 /nfs/dbraw/zinc/35/25/05/607352505.db2.gz SBBHMMYQUBTWFW-SREVYHEPSA-N -1 3 276.325 1.187 20 50 CDGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000826447650 607715895 /nfs/dbraw/zinc/71/58/95/607715895.db2.gz PMCTWUFXSFUMSB-GDNZZTSVSA-N -1 3 284.323 1.356 20 50 CDGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000826447650 607715897 /nfs/dbraw/zinc/71/58/97/607715897.db2.gz PMCTWUFXSFUMSB-GDNZZTSVSA-N -1 3 284.323 1.356 20 50 CDGDHM CC(C)(F)C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000824161881 608544612 /nfs/dbraw/zinc/54/46/12/608544612.db2.gz AEFLWSZEOKKGFY-UHFFFAOYSA-N -1 3 264.264 1.058 20 50 CDGDHM C=CCOC(=O)C(C#N)=Cc1ccc(-c2nnn[n-]2)cc1F ZINC000819751011 945280694 /nfs/dbraw/zinc/28/06/94/945280694.db2.gz LSLWZTSBSWCRCN-WDZFZDKYSA-N -1 3 299.265 1.642 20 50 CDGDHM C=CCOC(=O)C(C#N)=Cc1ccc(-c2nn[n-]n2)cc1F ZINC000819751011 945280703 /nfs/dbraw/zinc/28/07/03/945280703.db2.gz LSLWZTSBSWCRCN-WDZFZDKYSA-N -1 3 299.265 1.642 20 50 CDGDHM C=CCNC(=O)C(C#N)=Cc1ccc(-c2nnn[n-]2)cc1F ZINC000819751102 945282359 /nfs/dbraw/zinc/28/23/59/945282359.db2.gz PRQJYSNOTZSDGZ-IZZDOVSWSA-N -1 3 298.281 1.215 20 50 CDGDHM C=CCNC(=O)C(C#N)=Cc1ccc(-c2nn[n-]n2)cc1F ZINC000819751102 945282368 /nfs/dbraw/zinc/28/23/68/945282368.db2.gz PRQJYSNOTZSDGZ-IZZDOVSWSA-N -1 3 298.281 1.215 20 50 CDGDHM CCC(COC)=NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736354218 944807612 /nfs/dbraw/zinc/80/76/12/944807612.db2.gz SBVWHARUSJKQAR-UHFFFAOYSA-N -1 3 288.311 1.009 20 50 CDGDHM CCC(COC)=NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736354218 944807617 /nfs/dbraw/zinc/80/76/17/944807617.db2.gz SBVWHARUSJKQAR-UHFFFAOYSA-N -1 3 288.311 1.009 20 50 CDGDHM CO[C@H](C)C(C)=NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821674092 945793209 /nfs/dbraw/zinc/79/32/09/945793209.db2.gz TUYAIEFZBPCWNU-SECBINFHSA-N -1 3 288.311 1.007 20 50 CDGDHM CO[C@H](C)C(C)=NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821674092 945793218 /nfs/dbraw/zinc/79/32/18/945793218.db2.gz TUYAIEFZBPCWNU-SECBINFHSA-N -1 3 288.311 1.007 20 50 CDGDHM Cc1ccoc1C=NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000822379635 946076996 /nfs/dbraw/zinc/07/69/96/946076996.db2.gz RQZCAWIOGNBLRB-UHFFFAOYSA-N -1 3 296.290 1.532 20 50 CDGDHM Cc1ccoc1C=NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000822379635 946077010 /nfs/dbraw/zinc/07/70/10/946077010.db2.gz RQZCAWIOGNBLRB-UHFFFAOYSA-N -1 3 296.290 1.532 20 50 CDGDHM O=C(NN=Cc1cc(-c2nnn[n-]2)cs1)c1ccoc1 ZINC000823273341 946378555 /nfs/dbraw/zinc/37/85/55/946378555.db2.gz KHXRBRHTUDLEPV-UHFFFAOYSA-N -1 3 288.292 1.285 20 50 CDGDHM O=C(NN=Cc1cc(-c2nn[n-]n2)cs1)c1ccoc1 ZINC000823273341 946378566 /nfs/dbraw/zinc/37/85/66/946378566.db2.gz KHXRBRHTUDLEPV-UHFFFAOYSA-N -1 3 288.292 1.285 20 50 CDGDHM Cc1cc(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)c(C)[nH]1 ZINC000826259973 607341861 /nfs/dbraw/zinc/34/18/61/607341861.db2.gz OZBHZIDFQAJBRY-UHFFFAOYSA-N -1 3 297.322 1.569 20 50 CDGDHM CC(F)(F)CCC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000824465268 607713480 /nfs/dbraw/zinc/71/34/80/607713480.db2.gz NNCKAUSDFBXSRZ-UHFFFAOYSA-N -1 3 296.281 1.745 20 50 CDGDHM CC(F)(F)CCC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000824465268 607713482 /nfs/dbraw/zinc/71/34/82/607713482.db2.gz NNCKAUSDFBXSRZ-UHFFFAOYSA-N -1 3 296.281 1.745 20 50 CDGDHM CS[C@@H](C)C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826224938 607713621 /nfs/dbraw/zinc/71/36/21/607713621.db2.gz PJVWMTVSMQFOAW-ZETCQYMHSA-N -1 3 278.341 1.061 20 50 CDGDHM CS[C@@H](C)C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826224938 607713623 /nfs/dbraw/zinc/71/36/23/607713623.db2.gz PJVWMTVSMQFOAW-ZETCQYMHSA-N -1 3 278.341 1.061 20 50 CDGDHM CC=C(C)C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000825029546 607725697 /nfs/dbraw/zinc/72/56/97/607725697.db2.gz VZUSWIPGCTWJGF-BAQGIRSFSA-N -1 3 258.285 1.276 20 50 CDGDHM CC=C(C)C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000825029546 607725698 /nfs/dbraw/zinc/72/56/98/607725698.db2.gz VZUSWIPGCTWJGF-BAQGIRSFSA-N -1 3 258.285 1.276 20 50 CDGDHM C=CCOC(=O)C(C#N)=Cc1ccc(-c2nnn[n-]2)s1 ZINC000819751192 945282060 /nfs/dbraw/zinc/28/20/60/945282060.db2.gz SLTPUVAADPPXQH-SOFGYWHQSA-N -1 3 287.304 1.564 20 50 CDGDHM Cc1ccc(NNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)cc1 ZINC000826291713 947846876 /nfs/dbraw/zinc/84/68/76/947846876.db2.gz SCCNRVAWCKBRSC-UHFFFAOYSA-N -1 3 283.295 1.260 20 50 CDGDHM Cc1ccc(NNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)cc1 ZINC000826291713 947846879 /nfs/dbraw/zinc/84/68/79/947846879.db2.gz SCCNRVAWCKBRSC-UHFFFAOYSA-N -1 3 283.295 1.260 20 50 CDGDHM CC1(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)CCCC1 ZINC000824783116 607343174 /nfs/dbraw/zinc/34/31/74/607343174.db2.gz CSJZLHJGCHZWJS-UHFFFAOYSA-N -1 3 286.339 1.890 20 50 CDGDHM Cc1ccncc1C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826314640 607351691 /nfs/dbraw/zinc/35/16/91/607351691.db2.gz GVXIZSHBBDGBQW-UHFFFAOYSA-N -1 3 295.306 1.327 20 50 CDGDHM N#CC1(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)CCC1 ZINC000826380055 607351765 /nfs/dbraw/zinc/35/17/65/607351765.db2.gz LMIXDEYUDOXYDE-UHFFFAOYSA-N -1 3 283.295 1.004 20 50 CDGDHM CC[C@@H](SC)C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000825159276 607731193 /nfs/dbraw/zinc/73/11/93/607731193.db2.gz MMOKBHDTACSTNI-SNVBAGLBSA-N -1 3 292.368 1.451 20 50 CDGDHM CC[C@@H](SC)C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000825159276 607731195 /nfs/dbraw/zinc/73/11/95/607731195.db2.gz MMOKBHDTACSTNI-SNVBAGLBSA-N -1 3 292.368 1.451 20 50 CDGDHM CC(=NNC(=O)N(C)C)c1ccc(-c2nnn[n-]2)cc1F ZINC000823948150 609274745 /nfs/dbraw/zinc/27/47/45/609274745.db2.gz DYVLXUJYPPEDRQ-UHFFFAOYSA-N -1 3 291.290 1.001 20 50 CDGDHM CC(=NNC(=O)N(C)C)c1ccc(-c2nn[n-]n2)cc1F ZINC000823948150 609274746 /nfs/dbraw/zinc/27/47/46/609274746.db2.gz DYVLXUJYPPEDRQ-UHFFFAOYSA-N -1 3 291.290 1.001 20 50 CDGDHM O=C(NN=CC1CCCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000738128688 945197000 /nfs/dbraw/zinc/19/70/00/945197000.db2.gz HPARIVBBMYUCCX-UHFFFAOYSA-N -1 3 284.323 1.773 20 50 CDGDHM O=C(NN=CC1CCCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000738128688 945197004 /nfs/dbraw/zinc/19/70/04/945197004.db2.gz HPARIVBBMYUCCX-UHFFFAOYSA-N -1 3 284.323 1.773 20 50 CDGDHM CC(C)(C)C(=O)NN=Cc1ccc(-c2nnn[n-]2)cc1F ZINC000819899048 945310036 /nfs/dbraw/zinc/31/00/36/945310036.db2.gz MRYSYHSDLXFXAF-UHFFFAOYSA-N -1 3 290.302 1.502 20 50 CDGDHM CC(C)(C)C(=O)NN=Cc1ccc(-c2nn[n-]n2)cc1F ZINC000819899048 945310045 /nfs/dbraw/zinc/31/00/45/945310045.db2.gz MRYSYHSDLXFXAF-UHFFFAOYSA-N -1 3 290.302 1.502 20 50 CDGDHM C[C@H]1C[C@H]1C=NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820664821 945514471 /nfs/dbraw/zinc/51/44/71/945514471.db2.gz CLTPMNFRGHPIHI-KWQFWETISA-N -1 3 270.296 1.238 20 50 CDGDHM C[C@H]1C[C@H]1C=NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820664821 945514479 /nfs/dbraw/zinc/51/44/79/945514479.db2.gz CLTPMNFRGHPIHI-KWQFWETISA-N -1 3 270.296 1.238 20 50 CDGDHM C[C@@H]1CC[C@@H](C)N1CC(=O)NN=c1ccc(C(=O)[O-])c[nH]1 ZINC000833605005 604805229 /nfs/dbraw/zinc/80/52/29/604805229.db2.gz WBMQULKLQKBLCB-NXEZZACHSA-N -1 3 292.339 1.096 20 50 CDGDHM C[C@@H]1CC[C@@H](C)N1CC(=O)NNc1cccc(C(=O)[O-])c1 ZINC000833605404 605774788 /nfs/dbraw/zinc/77/47/88/605774788.db2.gz ZJIBGJSMGKXKJG-GHMZBOCLSA-N -1 3 291.351 1.701 20 50 CDGDHM COc1ccc(CN2CC=C(C#N)CC2)cc1-c1nnn[n-]1 ZINC000826193706 608383747 /nfs/dbraw/zinc/38/37/47/608383747.db2.gz MGEPGGNFYSIDLD-UHFFFAOYSA-N -1 3 296.334 1.531 20 50 CDGDHM COc1ccc(CN2CC=C(C#N)CC2)cc1-c1nn[n-]n1 ZINC000826193706 608383749 /nfs/dbraw/zinc/38/37/49/608383749.db2.gz MGEPGGNFYSIDLD-UHFFFAOYSA-N -1 3 296.334 1.531 20 50 CDGDHM O=C(NCCC1CC1)NNc1cccc(-c2nnn[n-]2)c1 ZINC000095221507 944618850 /nfs/dbraw/zinc/61/88/50/944618850.db2.gz JLIDSWBBOJYFIW-UHFFFAOYSA-N -1 3 287.327 1.293 20 50 CDGDHM O=C(NCCC1CC1)NNc1cccc(-c2nn[n-]n2)c1 ZINC000095221507 944618857 /nfs/dbraw/zinc/61/88/57/944618857.db2.gz JLIDSWBBOJYFIW-UHFFFAOYSA-N -1 3 287.327 1.293 20 50 CDGDHM CCC(=O)NN=C1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC000820838187 945567487 /nfs/dbraw/zinc/56/74/87/945567487.db2.gz PWSBMXRDCRHTQM-UHFFFAOYSA-N -1 3 284.323 1.433 20 50 CDGDHM CCC(=O)NN=C1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000820838187 945567495 /nfs/dbraw/zinc/56/74/95/945567495.db2.gz PWSBMXRDCRHTQM-UHFFFAOYSA-N -1 3 284.323 1.433 20 50 CDGDHM CSC=CC(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826227505 607352749 /nfs/dbraw/zinc/35/27/49/607352749.db2.gz SBBHMMYQUBTWFW-VOTSOKGWSA-N -1 3 276.325 1.187 20 50 CDGDHM O=C(C=C1CCCC1)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826400041 607356597 /nfs/dbraw/zinc/35/65/97/607356597.db2.gz NMUOOLVGQUFDBG-UHFFFAOYSA-N -1 3 284.323 1.810 20 50 CDGDHM CC(=NNC(=O)C(C)C)c1ccc(-c2nnn[n-]2)cc1F ZINC000823948814 609275300 /nfs/dbraw/zinc/27/53/00/609275300.db2.gz ZIBAIDNKHWPKLI-UHFFFAOYSA-N -1 3 290.302 1.502 20 50 CDGDHM CC(=NNC(=O)C(C)C)c1ccc(-c2nn[n-]n2)cc1F ZINC000823948814 609275301 /nfs/dbraw/zinc/27/53/01/609275301.db2.gz ZIBAIDNKHWPKLI-UHFFFAOYSA-N -1 3 290.302 1.502 20 50 CDGDHM CCC(=NNC(=O)c1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000736301775 944791994 /nfs/dbraw/zinc/79/19/94/944791994.db2.gz AVGZNHIFPZRQQC-UHFFFAOYSA-N -1 3 284.323 1.773 20 50 CDGDHM CCC(=NNC(=O)c1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000736301775 944791998 /nfs/dbraw/zinc/79/19/98/944791998.db2.gz AVGZNHIFPZRQQC-UHFFFAOYSA-N -1 3 284.323 1.773 20 50 CDGDHM O=C(C=Cc1ccco1)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826403498 607336397 /nfs/dbraw/zinc/33/63/97/607336397.db2.gz UEZLTCAFRSNHCF-VOTSOKGWSA-N -1 3 296.290 1.616 20 50 CDGDHM O=C(C=Cc1ccco1)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826403498 607336399 /nfs/dbraw/zinc/33/63/99/607336399.db2.gz UEZLTCAFRSNHCF-VOTSOKGWSA-N -1 3 296.290 1.616 20 50 CDGDHM CC1CC(C#N)(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000824869255 607352705 /nfs/dbraw/zinc/35/27/05/607352705.db2.gz ZMUUAPFKBMEGPN-UHFFFAOYSA-N -1 3 297.322 1.250 20 50 CDGDHM Cc1ccc(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000826282134 607352803 /nfs/dbraw/zinc/35/28/03/607352803.db2.gz ZLFPKUGUTFBVEC-UHFFFAOYSA-N -1 3 284.279 1.525 20 50 CDGDHM O=C(C[C@H]1C=CCC1)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826403911 607353166 /nfs/dbraw/zinc/35/31/66/607353166.db2.gz IAJCRKNKELVKRU-JTQLQIEISA-N -1 3 284.323 1.666 20 50 CDGDHM CCCCC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000825260039 607715373 /nfs/dbraw/zinc/71/53/73/607715373.db2.gz MJAMYVHTPJWVFK-UHFFFAOYSA-N -1 3 260.301 1.500 20 50 CDGDHM CCCCC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000825260039 607715375 /nfs/dbraw/zinc/71/53/75/607715375.db2.gz MJAMYVHTPJWVFK-UHFFFAOYSA-N -1 3 260.301 1.500 20 50 CDGDHM CC(C)CCC(=O)NN=Cc1ccccc1-c1nnn[n-]1 ZINC000824242866 607888446 /nfs/dbraw/zinc/88/84/46/607888446.db2.gz CHJZYVDSOPKENS-UHFFFAOYSA-N -1 3 286.339 1.753 20 50 CDGDHM CC(C)CCC(=O)NN=Cc1ccccc1-c1nn[n-]n1 ZINC000824242866 607888447 /nfs/dbraw/zinc/88/84/47/607888447.db2.gz CHJZYVDSOPKENS-UHFFFAOYSA-N -1 3 286.339 1.753 20 50 CDGDHM N#CC1=CCN(Cc2cccc(-c3nnn[n-]3)c2F)CC1 ZINC000826381008 609485024 /nfs/dbraw/zinc/48/50/24/609485024.db2.gz USTCAVQJKJJTEL-UHFFFAOYSA-N -1 3 284.298 1.661 20 50 CDGDHM N#CC1=CCN(Cc2cccc(-c3nn[n-]n3)c2F)CC1 ZINC000826381008 609485026 /nfs/dbraw/zinc/48/50/26/609485026.db2.gz USTCAVQJKJJTEL-UHFFFAOYSA-N -1 3 284.298 1.661 20 50 CDGDHM CC(C)CC(=O)NN=Cc1ccc(-c2nnn[n-]2)s1 ZINC000820051291 945339787 /nfs/dbraw/zinc/33/97/87/945339787.db2.gz MJNBQRSPOWVJFS-UHFFFAOYSA-N -1 3 278.341 1.424 20 50 CDGDHM CCC(COC)=NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736355165 944809341 /nfs/dbraw/zinc/80/93/41/944809341.db2.gz YPFYWELNWSVASC-UHFFFAOYSA-N -1 3 288.311 1.009 20 50 CDGDHM CCC(COC)=NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736355165 944809351 /nfs/dbraw/zinc/80/93/51/944809351.db2.gz YPFYWELNWSVASC-UHFFFAOYSA-N -1 3 288.311 1.009 20 50 CDGDHM CC(CC1CC1)=NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820235957 945393492 /nfs/dbraw/zinc/39/34/92/945393492.db2.gz VPLCXWWBHMTDSD-UHFFFAOYSA-N -1 3 284.323 1.773 20 50 CDGDHM CC(CC1CC1)=NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820235957 945393499 /nfs/dbraw/zinc/39/34/99/945393499.db2.gz VPLCXWWBHMTDSD-UHFFFAOYSA-N -1 3 284.323 1.773 20 50 CDGDHM COc1cc(-c2nnn[n-]2)ccc1OC/C=C\C#N ZINC000821701112 945832992 /nfs/dbraw/zinc/83/29/92/945832992.db2.gz BNTLRIPPDIVKKD-IHWYPQMZSA-N -1 3 257.253 1.334 20 50 CDGDHM COc1cc(-c2nn[n-]n2)ccc1OC/C=C\C#N ZINC000821701112 945833003 /nfs/dbraw/zinc/83/30/03/945833003.db2.gz BNTLRIPPDIVKKD-IHWYPQMZSA-N -1 3 257.253 1.334 20 50 CDGDHM O=C(NN=Cc1ccoc1)c1cccc(-c2nnn[n-]2)c1 ZINC000738129408 945200430 /nfs/dbraw/zinc/20/04/30/945200430.db2.gz AVCRGHLUTCGITJ-UHFFFAOYSA-N -1 3 282.263 1.224 20 50 CDGDHM O=C(NN=Cc1ccoc1)c1cccc(-c2nn[n-]n2)c1 ZINC000738129408 945200436 /nfs/dbraw/zinc/20/04/36/945200436.db2.gz AVCRGHLUTCGITJ-UHFFFAOYSA-N -1 3 282.263 1.224 20 50 CDGDHM CCOC(=O)C(C#N)=CNc1cccc(-c2nnn[n-]2)c1 ZINC000018991506 944604435 /nfs/dbraw/zinc/60/44/35/944604435.db2.gz KGYULZASTNUMML-CSKARUKUSA-N -1 3 284.279 1.249 20 50 CDGDHM CCOC(=O)C(C#N)=CNc1cccc(-c2nn[n-]n2)c1 ZINC000018991506 944604441 /nfs/dbraw/zinc/60/44/41/944604441.db2.gz KGYULZASTNUMML-CSKARUKUSA-N -1 3 284.279 1.249 20 50 CDGDHM CC(C)(C)CC(=O)NN=Cc1ccc(-c2nnn[n-]2)cc1 ZINC000735594670 944677924 /nfs/dbraw/zinc/67/79/24/944677924.db2.gz VNIKGXOGFGKPQX-UHFFFAOYSA-N -1 3 286.339 1.753 20 50 CDGDHM CC(C)(C)CC(=O)NN=Cc1ccc(-c2nn[n-]n2)cc1 ZINC000735594670 944677933 /nfs/dbraw/zinc/67/79/33/944677933.db2.gz VNIKGXOGFGKPQX-UHFFFAOYSA-N -1 3 286.339 1.753 20 50 CDGDHM CCOCC(C)=NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736609193 944853814 /nfs/dbraw/zinc/85/38/14/944853814.db2.gz OWHYXZXBXQXSAQ-UHFFFAOYSA-N -1 3 288.311 1.009 20 50 CDGDHM CCOCC(C)=NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736609193 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ZINC000826449147 607340067 /nfs/dbraw/zinc/34/00/67/607340067.db2.gz DLOBXKLQIFWGQU-UHFFFAOYSA-N -1 3 298.281 1.763 20 50 CDGDHM O=C(NNc1cccc(F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826449147 607340069 /nfs/dbraw/zinc/34/00/69/607340069.db2.gz DLOBXKLQIFWGQU-UHFFFAOYSA-N -1 3 298.281 1.763 20 50 CDGDHM CC1CC(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000824867313 607345584 /nfs/dbraw/zinc/34/55/84/607345584.db2.gz PBUREJGXDGISSO-UHFFFAOYSA-N -1 3 272.312 1.356 20 50 CDGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)C1CCCC1 ZINC000826446146 607347302 /nfs/dbraw/zinc/34/73/02/607347302.db2.gz BJAKTKLPMNHBFH-UHFFFAOYSA-N -1 3 272.312 1.500 20 50 CDGDHM C[C@H](C(=O)NNc1cccc(-c2nnn[n-]2)c1)C(C)(C)C ZINC000824039828 607728820 /nfs/dbraw/zinc/72/88/20/607728820.db2.gz IIVCVBNXZURDRP-SECBINFHSA-N -1 3 288.355 1.992 20 50 CDGDHM C[C@H](C(=O)NNc1cccc(-c2nn[n-]n2)c1)C(C)(C)C ZINC000824039828 607728822 /nfs/dbraw/zinc/72/88/22/607728822.db2.gz IIVCVBNXZURDRP-SECBINFHSA-N -1 3 288.355 1.992 20 50 CDGDHM CCC(CC)C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000825096909 607731038 /nfs/dbraw/zinc/73/10/38/607731038.db2.gz RABYWKQBWFBWLI-UHFFFAOYSA-N -1 3 274.328 1.746 20 50 CDGDHM CCC(CC)C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000825096909 607731040 /nfs/dbraw/zinc/73/10/40/607731040.db2.gz RABYWKQBWFBWLI-UHFFFAOYSA-N -1 3 274.328 1.746 20 50 CDGDHM C=CCNC(=O)C(C#N)=Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000823919989 608872654 /nfs/dbraw/zinc/87/26/54/608872654.db2.gz VSGOHNLEVTUJIY-POHAHGRESA-N -1 3 298.281 1.215 20 50 CDGDHM C=CCNC(=O)C(C#N)=Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000823919989 608872656 /nfs/dbraw/zinc/87/26/56/608872656.db2.gz VSGOHNLEVTUJIY-POHAHGRESA-N -1 3 298.281 1.215 20 50 CDGDHM Cc1[nH]ccc1C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826233755 607345317 /nfs/dbraw/zinc/34/53/17/607345317.db2.gz VDFKIPWPHZLTDP-UHFFFAOYSA-N -1 3 283.295 1.260 20 50 CDGDHM CSC=CC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826226569 607729221 /nfs/dbraw/zinc/72/92/21/607729221.db2.gz BSIOZUGZOKEBCP-AATRIKPKSA-N -1 3 276.325 1.187 20 50 CDGDHM CSC=CC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826226569 607729223 /nfs/dbraw/zinc/72/92/23/607729223.db2.gz BSIOZUGZOKEBCP-AATRIKPKSA-N -1 3 276.325 1.187 20 50 CDGDHM CC(=NNC(=O)c1cccc(-c2nnn[n-]2)c1)C1CCC1 ZINC000819773116 945287519 /nfs/dbraw/zinc/28/75/19/945287519.db2.gz OGSMGVBLVZFOHP-UHFFFAOYSA-N -1 3 284.323 1.773 20 50 CDGDHM CC(=NNC(=O)c1cccc(-c2nn[n-]n2)c1)C1CCC1 ZINC000819773116 945287530 /nfs/dbraw/zinc/28/75/30/945287530.db2.gz OGSMGVBLVZFOHP-UHFFFAOYSA-N -1 3 284.323 1.773 20 50 CDGDHM CC(CC1CC1)=NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820232321 945392594 /nfs/dbraw/zinc/39/25/94/945392594.db2.gz FSSBPVGVDCNJHE-UHFFFAOYSA-N -1 3 284.323 1.773 20 50 CDGDHM CC(CC1CC1)=NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820232321 945392598 /nfs/dbraw/zinc/39/25/98/945392598.db2.gz FSSBPVGVDCNJHE-UHFFFAOYSA-N -1 3 284.323 1.773 20 50 CDGDHM C=CCCC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000823888224 607334906 /nfs/dbraw/zinc/33/49/06/607334906.db2.gz HXBLGEUQKUZUNH-UHFFFAOYSA-N -1 3 258.285 1.276 20 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