smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CCCOCC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000823899369 607336905 /nfs/dbraw/zinc/33/69/05/607336905.db2.gz UQBOGQGLENWHIL-UHFFFAOYSA-N -1 3 288.311 0.903 20 50 CCGDHM C=CCCOCC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000823899369 607336907 /nfs/dbraw/zinc/33/69/07/607336907.db2.gz UQBOGQGLENWHIL-UHFFFAOYSA-N -1 3 288.311 0.903 20 50 CCGDHM N#CCSCC(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826382069 607340990 /nfs/dbraw/zinc/34/09/90/607340990.db2.gz NBLLGTORLGHTKY-UHFFFAOYSA-N -1 3 289.324 0.567 20 50 CCGDHM CCC[C@@H](O)CC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000825247781 607561439 /nfs/dbraw/zinc/56/14/39/607561439.db2.gz HNBKUDPHPUTGTO-LLVKDONJSA-N -1 3 290.327 0.861 20 50 CCGDHM CCC[C@@H](O)CC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000825247781 607561441 /nfs/dbraw/zinc/56/14/41/607561441.db2.gz HNBKUDPHPUTGTO-LLVKDONJSA-N -1 3 290.327 0.861 20 50 CCGDHM Cc1c(C(=O)NNc2cccc(-c3nnn[n-]3)c2)cnn1C ZINC000826235027 607718654 /nfs/dbraw/zinc/71/86/54/607718654.db2.gz ZZRYURGLIHAQEU-UHFFFAOYSA-N -1 3 298.310 0.666 20 50 CCGDHM Cc1c(C(=O)NNc2cccc(-c3nn[n-]n3)c2)cnn1C ZINC000826235027 607718655 /nfs/dbraw/zinc/71/86/55/607718655.db2.gz ZZRYURGLIHAQEU-UHFFFAOYSA-N -1 3 298.310 0.666 20 50 CCGDHM O=C([O-])N[C@H]1CC[C@@H](C(=O)NNc2ccncc2)C1 ZINC000834171717 605815517 /nfs/dbraw/zinc/81/55/17/605815517.db2.gz WEAKQLDIRFCAQP-SCZZXKLOSA-N -1 3 264.285 0.383 20 50 CCGDHM O=C([O-])N1CCC[C@H]1C(=O)NNc1ccncc1 ZINC000834049435 605850966 /nfs/dbraw/zinc/85/09/66/605850966.db2.gz RFYFNGKCLGRVFZ-VIFPVBQESA-N -1 3 250.258 0.089 20 50 CCGDHM Cn1cccc1C(=O)NN=Cc1ccccc1-c1nnn[n-]1 ZINC000826363596 607885262 /nfs/dbraw/zinc/88/52/62/607885262.db2.gz UFSCEZTYEKUJKP-UHFFFAOYSA-N -1 3 295.306 0.969 20 50 CCGDHM Cn1cccc1C(=O)NN=Cc1ccccc1-c1nn[n-]n1 ZINC000826363596 607885263 /nfs/dbraw/zinc/88/52/63/607885263.db2.gz UFSCEZTYEKUJKP-UHFFFAOYSA-N -1 3 295.306 0.969 20 50 CCGDHM Cn1cncc1C=NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826365508 607888042 /nfs/dbraw/zinc/88/80/42/607888042.db2.gz QQAYHJSFCDKOJW-UHFFFAOYSA-N -1 3 296.294 0.364 20 50 CCGDHM Cn1cncc1C=NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826365508 607888043 /nfs/dbraw/zinc/88/80/43/607888043.db2.gz QQAYHJSFCDKOJW-UHFFFAOYSA-N -1 3 296.294 0.364 20 50 CCGDHM CC[C@@H](C)[C@H](O)C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000825058822 608202619 /nfs/dbraw/zinc/20/26/19/608202619.db2.gz AGLNZBLVQCYUIP-KCJUWKMLSA-N -1 3 290.327 0.717 20 50 CCGDHM CCC(=O)NN=Cc1ccc(-c2nn[n-]n2)cc1F ZINC000820837750 945565662 /nfs/dbraw/zinc/56/56/62/945565662.db2.gz MUNPQNPGNVHFRN-UHFFFAOYSA-N -1 3 262.248 0.866 20 50 CCGDHM CCC(=O)NN=Cc1ccc(-c2nnn[n-]2)cc1F ZINC000820837750 945565656 /nfs/dbraw/zinc/56/56/56/945565656.db2.gz MUNPQNPGNVHFRN-UHFFFAOYSA-N -1 3 262.248 0.866 20 50 CCGDHM CNC(=O)NN=Cc1ccc(-c2nnn[n-]2)cc1F ZINC000821634109 945762900 /nfs/dbraw/zinc/76/29/00/945762900.db2.gz RVKUHVYMZVRFRN-UHFFFAOYSA-N -1 3 263.236 0.269 20 50 CCGDHM CNC(=O)NN=Cc1ccc(-c2nn[n-]n2)cc1F ZINC000821634109 945762909 /nfs/dbraw/zinc/76/29/09/945762909.db2.gz RVKUHVYMZVRFRN-UHFFFAOYSA-N -1 3 263.236 0.269 20 50 CCGDHM N#CC(=Cc1ccc(-c2nnn[n-]2)cc1F)C(N)=O ZINC000822796747 946187039 /nfs/dbraw/zinc/18/70/39/946187039.db2.gz XKNCEZLVNXEHNM-BAQGIRSFSA-N -1 3 258.216 0.398 20 50 CCGDHM N#CC(=Cc1ccc(-c2nn[n-]n2)cc1F)C(N)=O ZINC000822796747 946187045 /nfs/dbraw/zinc/18/70/45/946187045.db2.gz XKNCEZLVNXEHNM-BAQGIRSFSA-N -1 3 258.216 0.398 20 50 CCGDHM Cn1cccc1C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826363261 607712483 /nfs/dbraw/zinc/71/24/83/607712483.db2.gz FAAMHNOMQNHTSK-UHFFFAOYSA-N -1 3 283.295 0.962 20 50 CCGDHM Cn1cccc1C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826363261 607712486 /nfs/dbraw/zinc/71/24/86/607712486.db2.gz FAAMHNOMQNHTSK-UHFFFAOYSA-N -1 3 283.295 0.962 20 50 CCGDHM O=C([O-])N(CC(=O)NNc1ccncc1)C1CC1 ZINC000834001220 605814611 /nfs/dbraw/zinc/81/46/11/605814611.db2.gz HXFDCWQGWBXBBI-UHFFFAOYSA-N -1 3 250.258 0.089 20 50 CCGDHM O=C([O-])NC1CCC(C(=O)NNc2ccncc2)CC1 ZINC000834170214 605815827 /nfs/dbraw/zinc/81/58/27/605815827.db2.gz NUQXECWVFYNBLC-UHFFFAOYSA-N -1 3 278.312 0.773 20 50 CCGDHM Cn1cnc(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826364947 607995644 /nfs/dbraw/zinc/99/56/44/607995644.db2.gz TTYSZKAFSGJGEA-UHFFFAOYSA-N -1 3 284.283 0.357 20 50 CCGDHM Cn1ccc(NC(=O)NNc2cccc(-c3nnn[n-]3)c2)n1 ZINC000826363474 608809390 /nfs/dbraw/zinc/80/93/90/608809390.db2.gz NWXKGETZVPPFKN-UHFFFAOYSA-N -1 3 299.298 0.749 20 50 CCGDHM Cn1ccc(NC(=O)NNc2cccc(-c3nn[n-]n3)c2)n1 ZINC000826363474 608809391 /nfs/dbraw/zinc/80/93/91/608809391.db2.gz NWXKGETZVPPFKN-UHFFFAOYSA-N -1 3 299.298 0.749 20 50 CCGDHM O=C(NN=Cc1ccccc1-c1nnn[n-]1)C(F)F ZINC000826444600 609451565 /nfs/dbraw/zinc/45/15/65/609451565.db2.gz MYSVYVYQSPCFAF-UHFFFAOYSA-N -1 3 266.211 0.582 20 50 CCGDHM O=C(NN=Cc1ccccc1-c1nn[n-]n1)C(F)F ZINC000826444600 609451567 /nfs/dbraw/zinc/45/15/67/609451567.db2.gz MYSVYVYQSPCFAF-UHFFFAOYSA-N -1 3 266.211 0.582 20 50 CCGDHM CC(=NNC(=O)C(F)F)c1cccc(-c2nnn[n-]2)c1 ZINC000823948085 609452133 /nfs/dbraw/zinc/45/21/33/609452133.db2.gz CRAIOAAIJLLDDI-UHFFFAOYSA-N -1 3 280.238 0.972 20 50 CCGDHM CC(=NNC(=O)C(F)F)c1cccc(-c2nn[n-]n2)c1 ZINC000823948085 609452137 /nfs/dbraw/zinc/45/21/37/609452137.db2.gz CRAIOAAIJLLDDI-UHFFFAOYSA-N -1 3 280.238 0.972 20 50 CCGDHM O=C(NN=C1CCCOC1)c1cccc(-c2nnn[n-]2)c1 ZINC000738128493 945194623 /nfs/dbraw/zinc/19/46/23/945194623.db2.gz DMECANNPQRHSEJ-UHFFFAOYSA-N -1 3 286.295 0.763 20 50 CCGDHM O=C(NN=C1CCCOC1)c1cccc(-c2nn[n-]n2)c1 ZINC000738128493 945194625 /nfs/dbraw/zinc/19/46/25/945194625.db2.gz DMECANNPQRHSEJ-UHFFFAOYSA-N -1 3 286.295 0.763 20 50 CCGDHM O=C(NN=Cc1ccc(-c2nnn[n-]2)cc1)c1ccc[nH]1 ZINC000738129815 945204214 /nfs/dbraw/zinc/20/42/14/945204214.db2.gz XTRAKYKKRBXNIA-UHFFFAOYSA-N -1 3 281.279 0.959 20 50 CCGDHM O=C(NN=Cc1ccc(-c2nn[n-]n2)cc1)c1ccc[nH]1 ZINC000738129815 945204223 /nfs/dbraw/zinc/20/42/23/945204223.db2.gz XTRAKYKKRBXNIA-UHFFFAOYSA-N -1 3 281.279 0.959 20 50 CCGDHM CC=C(C)C(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000095161286 944612611 /nfs/dbraw/zinc/61/26/11/944612611.db2.gz FBNCGFCOKQIXTG-BAQGIRSFSA-N -1 3 286.295 0.594 20 50 CCGDHM CC=C(C)C(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000095161286 944612613 /nfs/dbraw/zinc/61/26/13/944612613.db2.gz FBNCGFCOKQIXTG-BAQGIRSFSA-N -1 3 286.295 0.594 20 50 CCGDHM COc1ccc(C=NNC(C)=O)cc1-c1nnn[n-]1 ZINC000737081650 944952404 /nfs/dbraw/zinc/95/24/04/944952404.db2.gz QQSXSPGNZQRWCA-UHFFFAOYSA-N -1 3 260.257 0.345 20 50 CCGDHM COc1ccc(C=NNC(C)=O)cc1-c1nn[n-]n1 ZINC000737081650 944952408 /nfs/dbraw/zinc/95/24/08/944952408.db2.gz QQSXSPGNZQRWCA-UHFFFAOYSA-N -1 3 260.257 0.345 20 50 CCGDHM CN(C)C(=O)NN=Cc1ccc(-c2nnn[n-]2)s1 ZINC000821578255 945722299 /nfs/dbraw/zinc/72/22/99/945722299.db2.gz VRPVWESBIDWBHB-UHFFFAOYSA-N -1 3 265.302 0.533 20 50 CCGDHM CNC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)cs1 ZINC000821629745 945758016 /nfs/dbraw/zinc/75/80/16/945758016.db2.gz AGSICVQXGAURRM-KXFIGUGUSA-N -1 3 260.282 0.581 20 50 CCGDHM CNC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)cs1 ZINC000821629745 945758021 /nfs/dbraw/zinc/75/80/21/945758021.db2.gz AGSICVQXGAURRM-KXFIGUGUSA-N -1 3 260.282 0.581 20 50 CCGDHM CNC(=O)C(C#N)=Cc1ccc(-c2nnn[n-]2)cc1F ZINC000821629929 945758266 /nfs/dbraw/zinc/75/82/66/945758266.db2.gz GTRDAWVJFSEGOH-RUDMXATFSA-N -1 3 272.243 0.659 20 50 CCGDHM CNC(=O)C(C#N)=Cc1ccc(-c2nn[n-]n2)cc1F ZINC000821629929 945758271 /nfs/dbraw/zinc/75/82/71/945758271.db2.gz GTRDAWVJFSEGOH-RUDMXATFSA-N -1 3 272.243 0.659 20 50 CCGDHM O=C(Cc1cccc(-c2nn[n-]n2)c1)NNc1cccnn1 ZINC000823103890 946310244 /nfs/dbraw/zinc/31/02/44/946310244.db2.gz NWFPWTWXCWTMRX-UHFFFAOYSA-N -1 3 296.294 0.343 20 50 CCGDHM C[C@@]1(CNC(=O)[C@H](N)CCC(=O)[O-])C[C@@H]1Br ZINC001594022353 997549157 /nfs/dbraw/zinc/54/91/57/997549157.db2.gz ZQDPBDBFJPXTEG-FWWHASMVSA-N -1 3 293.161 0.468 20 50 CCGDHM C[C@@H]1CC[C@H](C(=O)NNc2ccc(-c3nn[n-]n3)cc2)O1 ZINC000824899687 607346600 /nfs/dbraw/zinc/34/66/00/607346600.db2.gz MXPCHOHWAIDOLO-LDYMZIIASA-N -1 3 288.311 0.877 20 50 CCGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1cnc[nH]1 ZINC000826447802 607347544 /nfs/dbraw/zinc/34/75/44/607347544.db2.gz WPQSHVOGHDIKHI-UHFFFAOYSA-N -1 3 270.256 0.347 20 50 CCGDHM O=C(C[C@@H]1CCOC1)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826404992 607355578 /nfs/dbraw/zinc/35/55/78/607355578.db2.gz SBJBFAPLXQYXAV-VIFPVBQESA-N -1 3 288.311 0.736 20 50 CCGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)C1(O)CCCC1 ZINC000826447719 607712763 /nfs/dbraw/zinc/71/27/63/607712763.db2.gz STBPWOSATZAEJU-UHFFFAOYSA-N -1 3 288.311 0.615 20 50 CCGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)C1(O)CCCC1 ZINC000826447719 607712764 /nfs/dbraw/zinc/71/27/64/607712764.db2.gz STBPWOSATZAEJU-UHFFFAOYSA-N -1 3 288.311 0.615 20 50 CCGDHM CC[C@@H](OC)C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000825154131 607720606 /nfs/dbraw/zinc/72/06/06/607720606.db2.gz LVWWHWGJOQAVDV-SNVBAGLBSA-N -1 3 276.300 0.735 20 50 CCGDHM CC[C@@H](OC)C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000825154131 607720608 /nfs/dbraw/zinc/72/06/08/607720608.db2.gz LVWWHWGJOQAVDV-SNVBAGLBSA-N -1 3 276.300 0.735 20 50 CCGDHM CC(C)[C@H](NC(=O)[O-])C(=O)NNc1ccncc1 ZINC000833469655 605814133 /nfs/dbraw/zinc/81/41/33/605814133.db2.gz XUUVEWIUOKRMPU-VIFPVBQESA-N -1 3 252.274 0.239 20 50 CCGDHM O=C([O-])N[C@H]1CCC[C@H]1C(=O)NNc1ccncc1 ZINC000834170660 605851054 /nfs/dbraw/zinc/85/10/54/605851054.db2.gz AKTGSBWTKQEYOJ-ZJUUUORDSA-N -1 3 264.285 0.383 20 50 CCGDHM O=C(NNC(=O)c1ccc(-c2nnn[n-]2)cc1)c1cc[nH]c1 ZINC000738137054 945239278 /nfs/dbraw/zinc/23/92/78/945239278.db2.gz QSFQCJJUEGGZND-UHFFFAOYSA-N -1 3 297.278 0.270 20 50 CCGDHM O=C(NNC(=O)c1ccc(-c2nn[n-]n2)cc1)c1cc[nH]c1 ZINC000738137054 945239287 /nfs/dbraw/zinc/23/92/87/945239287.db2.gz QSFQCJJUEGGZND-UHFFFAOYSA-N -1 3 297.278 0.270 20 50 CCGDHM CCNC(=O)NN=Cc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000736576679 944847484 /nfs/dbraw/zinc/84/74/84/944847484.db2.gz ZAUJXIZNUVTYCX-UHFFFAOYSA-N -1 3 289.299 0.528 20 50 CCGDHM CCNC(=O)NN=Cc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000736576679 944847490 /nfs/dbraw/zinc/84/74/90/944847490.db2.gz ZAUJXIZNUVTYCX-UHFFFAOYSA-N -1 3 289.299 0.528 20 50 CCGDHM CC1(C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000820577332 945487618 /nfs/dbraw/zinc/48/76/18/945487618.db2.gz OOTVSUAAYQTNDQ-UHFFFAOYSA-N -1 3 286.295 0.428 20 50 CCGDHM CC1(C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000820577332 945487623 /nfs/dbraw/zinc/48/76/23/945487623.db2.gz OOTVSUAAYQTNDQ-UHFFFAOYSA-N -1 3 286.295 0.428 20 50 CCGDHM C[C@H]1CC(=NNC(=O)c2cccc(-c3nn[n-]n3)c2)CN1C ZINC000820643170 945505778 /nfs/dbraw/zinc/50/57/78/945505778.db2.gz RFMAZPCKAKVHAT-VIFPVBQESA-N -1 3 299.338 0.677 20 50 CCGDHM CS(=O)(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)cs1 ZINC000821919403 945904052 /nfs/dbraw/zinc/90/40/52/945904052.db2.gz AJPWOFMHZOBLOF-FPYGCLRLSA-N -1 3 281.322 0.837 20 50 CCGDHM CS(=O)(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)cs1 ZINC000821919403 945904056 /nfs/dbraw/zinc/90/40/56/945904056.db2.gz AJPWOFMHZOBLOF-FPYGCLRLSA-N -1 3 281.322 0.837 20 50 CCGDHM CC1(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)COC1 ZINC000824784338 946930849 /nfs/dbraw/zinc/93/08/49/946930849.db2.gz QTRGTMCTDQCFGO-UHFFFAOYSA-N -1 3 274.284 0.346 20 50 CCGDHM COCC1(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826152481 947482871 /nfs/dbraw/zinc/48/28/71/947482871.db2.gz ARQRMHFCNUHMSN-UHFFFAOYSA-N -1 3 288.311 0.736 20 50 CCGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)C1CCOCC1 ZINC000826446573 607339497 /nfs/dbraw/zinc/33/94/97/607339497.db2.gz QODAEPYSZBLVNG-UHFFFAOYSA-N -1 3 288.311 0.736 20 50 CCGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1cn[nH]c1 ZINC000826447666 607342428 /nfs/dbraw/zinc/34/24/28/607342428.db2.gz QLXHLOXLPFNMJP-UHFFFAOYSA-N -1 3 270.256 0.347 20 50 CCGDHM CCNC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000825476332 607671136 /nfs/dbraw/zinc/67/11/36/607671136.db2.gz GPSZMTSYKDYMMY-UHFFFAOYSA-N -1 3 289.299 0.139 20 50 CCGDHM CCNC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000825476332 607671137 /nfs/dbraw/zinc/67/11/37/607671137.db2.gz GPSZMTSYKDYMMY-UHFFFAOYSA-N -1 3 289.299 0.139 20 50 CCGDHM C[C@@H](C(=O)NNc1cccc(-c2nnn[n-]2)c1)n1cccn1 ZINC000824045579 607718518 /nfs/dbraw/zinc/71/85/18/607718518.db2.gz MQOBOWLSSALUJS-VIFPVBQESA-N -1 3 298.310 0.768 20 50 CCGDHM C[C@@H](C(=O)NNc1cccc(-c2nn[n-]n2)c1)n1cccn1 ZINC000824045579 607718519 /nfs/dbraw/zinc/71/85/19/607718519.db2.gz MQOBOWLSSALUJS-VIFPVBQESA-N -1 3 298.310 0.768 20 50 CCGDHM C[C@H]1C[C@@H]1C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000824899571 607722347 /nfs/dbraw/zinc/72/23/47/607722347.db2.gz LIFKOCAFNDZWOD-XVKPBYJWSA-N -1 3 258.285 0.966 20 50 CCGDHM C[C@H]1C[C@@H]1C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000824899571 607722349 /nfs/dbraw/zinc/72/23/49/607722349.db2.gz LIFKOCAFNDZWOD-XVKPBYJWSA-N -1 3 258.285 0.966 20 50 CCGDHM N#Cc1ccc(C(=O)NNc2cccc(-c3nnn[n-]3)c2)[nH]1 ZINC000826384241 607756283 /nfs/dbraw/zinc/75/62/83/607756283.db2.gz MRUKHLSJZPAHRN-UHFFFAOYSA-N -1 3 294.278 0.823 20 50 CCGDHM N#Cc1ccc(C(=O)NNc2cccc(-c3nn[n-]n3)c2)[nH]1 ZINC000826384241 607756284 /nfs/dbraw/zinc/75/62/84/607756284.db2.gz MRUKHLSJZPAHRN-UHFFFAOYSA-N -1 3 294.278 0.823 20 50 CCGDHM O=C([O-])NCCCCC(=O)NNc1ccncc1 ZINC000834233733 605932005 /nfs/dbraw/zinc/93/20/05/605932005.db2.gz DFXJBBXUDGPZRH-UHFFFAOYSA-N -1 3 252.274 0.385 20 50 CCGDHM O=C(NNc1cccnn1)c1cc(-c2nn[n-]n2)cs1 ZINC000823280620 606585953 /nfs/dbraw/zinc/58/59/53/606585953.db2.gz DQLBVYFEFHLZTA-UHFFFAOYSA-N -1 3 288.296 0.475 20 50 CCGDHM Cn1cc(-c2nnn[n-]2)cc1C(=O)NNC(=O)C(C)(C)C ZINC000095138780 944609789 /nfs/dbraw/zinc/60/97/89/944609789.db2.gz MBRWQPNLXNPLJZ-UHFFFAOYSA-N -1 3 291.315 0.012 20 50 CCGDHM Cn1cc(-c2nn[n-]n2)cc1C(=O)NNC(=O)C(C)(C)C ZINC000095138780 944609794 /nfs/dbraw/zinc/60/97/94/944609794.db2.gz MBRWQPNLXNPLJZ-UHFFFAOYSA-N -1 3 291.315 0.012 20 50 CCGDHM O=C(NNC(=O)c1ccccc1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000823277338 946401202 /nfs/dbraw/zinc/40/12/02/946401202.db2.gz KVMWXVQFIXUEQC-UHFFFAOYSA-N -1 3 297.278 0.270 20 50 CCGDHM O=C(NNC(=O)c1ccccc1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000823277338 946401208 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Cc1cc(C(=O)NNc2cccc(-c3nnn[n-]3)c2)[nH]n1 ZINC000826260082 607719151 /nfs/dbraw/zinc/71/91/51/607719151.db2.gz VICKPTLWBXEYNQ-UHFFFAOYSA-N -1 3 284.283 0.655 20 50 CCGDHM Cc1cc(C(=O)NNc2cccc(-c3nn[n-]n3)c2)[nH]n1 ZINC000826260082 607719152 /nfs/dbraw/zinc/71/91/52/607719152.db2.gz VICKPTLWBXEYNQ-UHFFFAOYSA-N -1 3 284.283 0.655 20 50 CCGDHM CCO[C@H](C)C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000825577641 607733133 /nfs/dbraw/zinc/73/31/33/607733133.db2.gz YSHUVPHSWYXTHQ-MRVPVSSYSA-N -1 3 276.300 0.735 20 50 CCGDHM CCO[C@H](C)C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000825577641 607733134 /nfs/dbraw/zinc/73/31/34/607733134.db2.gz YSHUVPHSWYXTHQ-MRVPVSSYSA-N -1 3 276.300 0.735 20 50 CCGDHM O=C([O-])NCc1ccc(C(=O)NNc2ccncc2)o1 ZINC000834248825 605815416 /nfs/dbraw/zinc/81/54/16/605815416.db2.gz JMOOBDMTJBVBPY-UHFFFAOYSA-N -1 3 276.252 0.621 20 50 CCGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)[C@@H]1CCCO1 ZINC000826446169 608200537 /nfs/dbraw/zinc/20/05/37/608200537.db2.gz CCNWPMGWQNGHCP-JTQLQIEISA-N -1 3 274.284 0.489 20 50 CCGDHM Cn1cc(NC(=O)NNc2cccc(-c3nnn[n-]3)c2)cn1 ZINC000826362094 608805253 /nfs/dbraw/zinc/80/52/53/608805253.db2.gz COFORDPQTVGRON-UHFFFAOYSA-N -1 3 299.298 0.749 20 50 CCGDHM Cn1cc(NC(=O)NNc2cccc(-c3nn[n-]n3)c2)cn1 ZINC000826362094 608805256 /nfs/dbraw/zinc/80/52/56/608805256.db2.gz COFORDPQTVGRON-UHFFFAOYSA-N -1 3 299.298 0.749 20 50 CCGDHM O=C(NNC(=O)C1CC=CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000738130257 945208486 /nfs/dbraw/zinc/20/84/86/945208486.db2.gz ONDYCICEUNFFRN-UHFFFAOYSA-N -1 3 298.306 0.594 20 50 CCGDHM O=C(NNC(=O)C1CC=CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000738130257 945208490 /nfs/dbraw/zinc/20/84/90/945208490.db2.gz ONDYCICEUNFFRN-UHFFFAOYSA-N -1 3 298.306 0.594 20 50 CCGDHM O=C(NNC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccc[nH]1 ZINC000738137162 945242452 /nfs/dbraw/zinc/24/24/52/945242452.db2.gz ROBIODXRERXTIR-UHFFFAOYSA-N -1 3 297.278 0.270 20 50 CCGDHM O=C(NNC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccc[nH]1 ZINC000738137162 945242456 /nfs/dbraw/zinc/24/24/56/945242456.db2.gz ROBIODXRERXTIR-UHFFFAOYSA-N -1 3 297.278 0.270 20 50 CCGDHM CC(C)CCC(=O)NNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000820069134 945345312 /nfs/dbraw/zinc/34/53/12/945345312.db2.gz WGTFAFLUKNDKOU-UHFFFAOYSA-N -1 3 291.315 0.392 20 50 CCGDHM CC(C)CCC(=O)NNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000820069134 945345324 /nfs/dbraw/zinc/34/53/24/945345324.db2.gz WGTFAFLUKNDKOU-UHFFFAOYSA-N -1 3 291.315 0.392 20 50 CCGDHM CNC(=O)C(C#N)=Cc1ccc(-c2nnn[n-]2)cc1F ZINC000821629930 945759153 /nfs/dbraw/zinc/75/91/53/945759153.db2.gz GTRDAWVJFSEGOH-WTKPLQERSA-N -1 3 272.243 0.659 20 50 CCGDHM CNC(=O)C(C#N)=Cc1ccc(-c2nn[n-]n2)cc1F ZINC000821629930 945759154 /nfs/dbraw/zinc/75/91/54/945759154.db2.gz GTRDAWVJFSEGOH-WTKPLQERSA-N -1 3 272.243 0.659 20 50 CCGDHM O=C(NN=Cc1cc(-c2nnn[n-]2)cs1)C1CC1 ZINC000823273759 946388287 /nfs/dbraw/zinc/38/82/87/946388287.db2.gz WZMXKJWSYPUJRL-UHFFFAOYSA-N -1 3 262.298 0.788 20 50 CCGDHM O=C(NN=Cc1cc(-c2nn[n-]n2)cs1)C1CC1 ZINC000823273759 946388296 /nfs/dbraw/zinc/38/82/96/946388296.db2.gz WZMXKJWSYPUJRL-UHFFFAOYSA-N -1 3 262.298 0.788 20 50 CCGDHM C=C(CBr)CN(CCC(=O)OC)CC(=O)[O-] ZINC001588444773 958366563 /nfs/dbraw/zinc/36/65/63/958366563.db2.gz RDEAMHUFKSXPAK-UHFFFAOYSA-N -1 3 294.145 0.887 20 50 CCGDHM CC(C)OCC(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000824309824 607356078 /nfs/dbraw/zinc/35/60/78/607356078.db2.gz WNMOPFYUPBHAIE-UHFFFAOYSA-N -1 3 276.300 0.735 20 50 CCGDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NNC(=O)C(C)C ZINC000826249295 607648383 /nfs/dbraw/zinc/64/83/83/607648383.db2.gz UWRASDFMXMMHDM-UHFFFAOYSA-N -1 3 288.311 0.592 20 50 CCGDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NNC(=O)C(C)C ZINC000826249295 607648386 /nfs/dbraw/zinc/64/83/86/607648386.db2.gz UWRASDFMXMMHDM-UHFFFAOYSA-N -1 3 288.311 0.592 20 50 CCGDHM Cn1ccnc1C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826364102 607672539 /nfs/dbraw/zinc/67/25/39/607672539.db2.gz LDRPXOGBRUYSAC-UHFFFAOYSA-N -1 3 284.283 0.357 20 50 CCGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1cc[nH]c1 ZINC000826448844 607714625 /nfs/dbraw/zinc/71/46/25/607714625.db2.gz OFXYSFVSJBDLRU-UHFFFAOYSA-N -1 3 269.268 0.952 20 50 CCGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1cc[nH]c1 ZINC000826448844 607714627 /nfs/dbraw/zinc/71/46/27/607714627.db2.gz OFXYSFVSJBDLRU-UHFFFAOYSA-N -1 3 269.268 0.952 20 50 CCGDHM Cn1cc(-c2nnn[n-]2)cc1C(=O)N1CC=C(C#N)CC1 ZINC000826357391 608386107 /nfs/dbraw/zinc/38/61/07/608386107.db2.gz CZBCLKVNIOIZAN-UHFFFAOYSA-N -1 3 283.295 0.501 20 50 CCGDHM Cn1cc(-c2nn[n-]n2)cc1C(=O)N1CC=C(C#N)CC1 ZINC000826357391 608386111 /nfs/dbraw/zinc/38/61/11/608386111.db2.gz CZBCLKVNIOIZAN-UHFFFAOYSA-N -1 3 283.295 0.501 20 50 CCGDHM Cn1nccc1C=NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737629438 945105075 /nfs/dbraw/zinc/10/50/75/945105075.db2.gz VCXFIECHYYLPPU-UHFFFAOYSA-N -1 3 296.294 0.364 20 50 CCGDHM Cn1nccc1C=NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737629438 945105079 /nfs/dbraw/zinc/10/50/79/945105079.db2.gz VCXFIECHYYLPPU-UHFFFAOYSA-N -1 3 296.294 0.364 20 50 CCGDHM C[C@H](C[N@H+](C)CC(=O)N[N-]C(=O)c1cccs1)C(=O)[O-] ZINC000042706513 948879918 /nfs/dbraw/zinc/87/99/18/948879918.db2.gz BDTVQZPKMJQROW-MRVPVSSYSA-N -1 3 299.352 0.162 20 50 CCGDHM C[C@H](C[N@@H+](C)CC(=O)N[N-]C(=O)c1cccs1)C(=O)[O-] ZINC000042706513 948879939 /nfs/dbraw/zinc/87/99/39/948879939.db2.gz BDTVQZPKMJQROW-MRVPVSSYSA-N -1 3 299.352 0.162 20 50 CCGDHM O=C(Cc1cc[nH]n1)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826424134 607338173 /nfs/dbraw/zinc/33/81/73/607338173.db2.gz XLGPMFPWHTWMJH-UHFFFAOYSA-N -1 3 284.283 0.276 20 50 CCGDHM O=C(Cc1cc[nH]n1)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826424134 607338175 /nfs/dbraw/zinc/33/81/75/607338175.db2.gz XLGPMFPWHTWMJH-UHFFFAOYSA-N -1 3 284.283 0.276 20 50 CCGDHM CCO[C@@H]1C[C@H]1C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000825583021 607353775 /nfs/dbraw/zinc/35/37/75/607353775.db2.gz QQTNWKHXXSFQKA-GHMZBOCLSA-N -1 3 288.311 0.735 20 50 CCGDHM COC[C@H](C)C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826148821 607713426 /nfs/dbraw/zinc/71/34/26/607713426.db2.gz RLPOEQPJCWOEAQ-QMMMGPOBSA-N -1 3 276.300 0.592 20 50 CCGDHM COC[C@H](C)C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826148821 607713427 /nfs/dbraw/zinc/71/34/27/607713427.db2.gz RLPOEQPJCWOEAQ-QMMMGPOBSA-N -1 3 276.300 0.592 20 50 CCGDHM O=C([O-])N[C@@H]1CCC[C@@H]1C(=O)NNc1ccncc1 ZINC000834170659 605851103 /nfs/dbraw/zinc/85/11/03/605851103.db2.gz AKTGSBWTKQEYOJ-VHSXEESVSA-N -1 3 264.285 0.383 20 50 CCGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)N[C@@H]1CCOC1 ZINC000826448371 607782908 /nfs/dbraw/zinc/78/29/08/607782908.db2.gz SKFLHPXSHIVAFH-SNVBAGLBSA-N -1 3 289.299 0.282 20 50 CCGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)N[C@@H]1CCOC1 ZINC000826448371 607782909 /nfs/dbraw/zinc/78/29/09/607782909.db2.gz SKFLHPXSHIVAFH-SNVBAGLBSA-N -1 3 289.299 0.282 20 50 CCGDHM CC(C)NC(=O)NN=Cc1cc(-c2nnn[n-]2)cs1 ZINC000820136855 945360576 /nfs/dbraw/zinc/36/05/76/945360576.db2.gz CNGZVXLSOROJBY-UHFFFAOYSA-N -1 3 279.329 0.970 20 50 CCGDHM CC(C)NC(=O)NN=Cc1cc(-c2nn[n-]n2)cs1 ZINC000820136855 945360592 /nfs/dbraw/zinc/36/05/92/945360592.db2.gz CNGZVXLSOROJBY-UHFFFAOYSA-N -1 3 279.329 0.970 20 50 CCGDHM O=C(C=CC1CC1)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000822924075 946219672 /nfs/dbraw/zinc/21/96/72/946219672.db2.gz WOTKFRCYXUJCGG-FPYGCLRLSA-N -1 3 298.306 0.594 20 50 CCGDHM O=C(C=CC1CC1)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000822924075 946219679 /nfs/dbraw/zinc/21/96/79/946219679.db2.gz WOTKFRCYXUJCGG-FPYGCLRLSA-N -1 3 298.306 0.594 20 50 CCGDHM O=C(NN=Cc1cc[nH]c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823273720 946387265 /nfs/dbraw/zinc/38/72/65/946387265.db2.gz VDRZBYGAWKLAOX-UHFFFAOYSA-N -1 3 281.279 0.959 20 50 CCGDHM O=C(NN=Cc1cc[nH]c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823273720 946387277 /nfs/dbraw/zinc/38/72/77/946387277.db2.gz VDRZBYGAWKLAOX-UHFFFAOYSA-N -1 3 281.279 0.959 20 50 CCGDHM O=C(NNC(=O)c1cccc(-c2nnn[n-]2)c1)C1=CCCC1 ZINC000823277022 946393519 /nfs/dbraw/zinc/39/35/19/946393519.db2.gz CBIFDBDXPDIXMK-UHFFFAOYSA-N -1 3 298.306 0.738 20 50 CCGDHM O=C(NNC(=O)c1cccc(-c2nn[n-]n2)c1)C1=CCCC1 ZINC000823277022 946393529 /nfs/dbraw/zinc/39/35/29/946393529.db2.gz CBIFDBDXPDIXMK-UHFFFAOYSA-N -1 3 298.306 0.738 20 50 CCGDHM O=C([O-])[C@@]1(C(=O)NNc2ccncc2)CC=CCC1 ZINC001605935832 972876635 /nfs/dbraw/zinc/87/66/35/972876635.db2.gz UKXKQHWZLCBARC-ZDUSSCGKSA-N -1 3 261.281 0.758 20 50 CCGDHM O=C(Cc1cccnc1)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826423972 607344504 /nfs/dbraw/zinc/34/45/04/607344504.db2.gz PZWRAPSSMLBLNW-UHFFFAOYSA-N -1 3 295.306 0.948 20 50 CCGDHM N#Cc1ccc(NNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)cc1 ZINC000826386059 607672303 /nfs/dbraw/zinc/67/23/03/607672303.db2.gz NCWQNCCQSTZLNK-UHFFFAOYSA-N -1 3 294.278 0.823 20 50 CCGDHM N#Cc1ccc(NNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)cc1 ZINC000826386059 607672305 /nfs/dbraw/zinc/67/23/05/607672305.db2.gz NCWQNCCQSTZLNK-UHFFFAOYSA-N -1 3 294.278 0.823 20 50 CCGDHM O=C([O-])N1CCC[C@@H]1C(=O)NNc1ccncc1 ZINC000834049434 605814645 /nfs/dbraw/zinc/81/46/45/605814645.db2.gz RFYFNGKCLGRVFZ-SECBINFHSA-N -1 3 250.258 0.089 20 50 CCGDHM CS(=O)(=O)C(C#N)=Cc1ccccc1-c1nnn[n-]1 ZINC000826222008 607884301 /nfs/dbraw/zinc/88/43/01/607884301.db2.gz DSGWAAOZRXQQQE-RMKNXTFCSA-N -1 3 275.293 0.776 20 50 CCGDHM CS(=O)(=O)C(C#N)=Cc1ccccc1-c1nn[n-]n1 ZINC000826222008 607884302 /nfs/dbraw/zinc/88/43/02/607884302.db2.gz DSGWAAOZRXQQQE-RMKNXTFCSA-N -1 3 275.293 0.776 20 50 CCGDHM Cc1cc(C(=O)NNc2cccc(-c3nnn[n-]3)c2)ncn1 ZINC000826259723 607995722 /nfs/dbraw/zinc/99/57/22/607995722.db2.gz BTOHFAQGFBPJNQ-UHFFFAOYSA-N -1 3 296.294 0.722 20 50 CCGDHM Cc1cc(C(=O)NNc2cccc(-c3nn[n-]n3)c2)ncn1 ZINC000826259723 607995723 /nfs/dbraw/zinc/99/57/23/607995723.db2.gz BTOHFAQGFBPJNQ-UHFFFAOYSA-N -1 3 296.294 0.722 20 50 CCGDHM C[C@@H]1OCC[C@H]1C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000825013250 608164805 /nfs/dbraw/zinc/16/48/05/608164805.db2.gz NXAJOOLERRHRAP-GZMMTYOYSA-N -1 3 288.311 0.735 20 50 CCGDHM C[C@@H]1OCC[C@H]1C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000825013250 608164806 /nfs/dbraw/zinc/16/48/06/608164806.db2.gz NXAJOOLERRHRAP-GZMMTYOYSA-N -1 3 288.311 0.735 20 50 CCGDHM CC[C@H](C)[C@@H](O)C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000825060360 608203072 /nfs/dbraw/zinc/20/30/72/608203072.db2.gz PPLGYJZWBAQKLP-GZMMTYOYSA-N -1 3 290.327 0.717 20 50 CCGDHM CC[C@H](C)[C@@H](O)C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000825060360 608203074 /nfs/dbraw/zinc/20/30/74/608203074.db2.gz PPLGYJZWBAQKLP-GZMMTYOYSA-N -1 3 290.327 0.717 20 50 CCGDHM CC(=NNC(N)=O)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823953745 609157278 /nfs/dbraw/zinc/15/72/78/609157278.db2.gz OCVNVPKIJXFFBM-UHFFFAOYSA-N -1 3 263.236 0.398 20 50 CCGDHM CC(=NNC(N)=O)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823953745 609157280 /nfs/dbraw/zinc/15/72/80/609157280.db2.gz OCVNVPKIJXFFBM-UHFFFAOYSA-N -1 3 263.236 0.398 20 50 CCGDHM O=C(NN=Cc1ccc(-c2nnn[n-]2)cc1)C(F)F ZINC000826444681 609451118 /nfs/dbraw/zinc/45/11/18/609451118.db2.gz QDKXERAGPCKHMX-UHFFFAOYSA-N -1 3 266.211 0.582 20 50 CCGDHM O=C(NN=Cc1ccc(-c2nn[n-]n2)cc1)C(F)F ZINC000826444681 609451119 /nfs/dbraw/zinc/45/11/19/609451119.db2.gz QDKXERAGPCKHMX-UHFFFAOYSA-N -1 3 266.211 0.582 20 50 CCGDHM Cn1cc(-c2nnn[n-]2)cc1C(=O)NNc1ccccc1 ZINC000095216367 944619648 /nfs/dbraw/zinc/61/96/48/944619648.db2.gz UEZSKUZOBDWVGU-UHFFFAOYSA-N -1 3 283.295 0.962 20 50 CCGDHM Cn1cc(-c2nn[n-]n2)cc1C(=O)NNc1ccccc1 ZINC000095216367 944619653 /nfs/dbraw/zinc/61/96/53/944619653.db2.gz UEZSKUZOBDWVGU-UHFFFAOYSA-N -1 3 283.295 0.962 20 50 CCGDHM CCCCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736438334 944819873 /nfs/dbraw/zinc/81/98/73/944819873.db2.gz IIZIDDWYDRSNMZ-UHFFFAOYSA-N -1 3 288.311 0.818 20 50 CCGDHM CCCCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736438334 944819878 /nfs/dbraw/zinc/81/98/78/944819878.db2.gz IIZIDDWYDRSNMZ-UHFFFAOYSA-N -1 3 288.311 0.818 20 50 CCGDHM CCC(=O)NN=Cc1cc(-c2nnn[n-]2)cs1 ZINC000820838477 945567982 /nfs/dbraw/zinc/56/79/82/945567982.db2.gz TVCHZCXXYYBFQN-UHFFFAOYSA-N -1 3 250.287 0.788 20 50 CCGDHM CCC(=O)NN=Cc1cc(-c2nn[n-]n2)cs1 ZINC000820838477 945567990 /nfs/dbraw/zinc/56/79/90/945567990.db2.gz TVCHZCXXYYBFQN-UHFFFAOYSA-N -1 3 250.287 0.788 20 50 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290.327 0.861 20 50 CCGDHM Cc1cnn(CC(=O)NNc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826320056 607356809 /nfs/dbraw/zinc/35/68/09/607356809.db2.gz FKKYLZALXAVAIQ-UHFFFAOYSA-N -1 3 298.310 0.515 20 50 CCGDHM Cc1cc(C(=O)NNc2cccc(-c3nnn[n-]3)c2)on1 ZINC000826259895 607718715 /nfs/dbraw/zinc/71/87/15/607718715.db2.gz LHIJKERNHRJLOB-UHFFFAOYSA-N -1 3 285.267 0.920 20 50 CCGDHM Cc1cc(C(=O)NNc2cccc(-c3nn[n-]n3)c2)on1 ZINC000826259895 607718716 /nfs/dbraw/zinc/71/87/16/607718716.db2.gz LHIJKERNHRJLOB-UHFFFAOYSA-N -1 3 285.267 0.920 20 50 CCGDHM CN(C)c1ccncc1C=NNC(=O)CCCNC(=O)[O-] ZINC000833871267 606009549 /nfs/dbraw/zinc/00/95/49/606009549.db2.gz LOTGTJHQYBMLAA-UHFFFAOYSA-N -1 3 293.327 0.646 20 50 CCGDHM CC(=NNC(=O)CN(C)C)c1ccc(-c2nnn[n-]2)s1 ZINC000823948440 608094367 /nfs/dbraw/zinc/09/43/67/608094367.db2.gz MWKBOPOHGLMMKL-UHFFFAOYSA-N -1 3 293.356 0.330 20 50 CCGDHM CC(=NNC(=O)CN(C)C)c1ccc(-c2nn[n-]n2)s1 ZINC000823948440 608094368 /nfs/dbraw/zinc/09/43/68/608094368.db2.gz MWKBOPOHGLMMKL-UHFFFAOYSA-N 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951201497 /nfs/dbraw/zinc/20/14/97/951201497.db2.gz RCLMRLBSFWWLQL-ONGXEEELSA-N -1 3 279.296 0.217 20 50 CCGDHM Cn1ccc(C(=O)NNc2cccc(-c3nnn[n-]3)c2)n1 ZINC000826362835 607334099 /nfs/dbraw/zinc/33/40/99/607334099.db2.gz KSOTWUSYHHEEJE-UHFFFAOYSA-N -1 3 284.283 0.357 20 50 CCGDHM Cn1ccc(C(=O)NNc2cccc(-c3nn[n-]n3)c2)n1 ZINC000826362835 607334101 /nfs/dbraw/zinc/33/41/01/607334101.db2.gz KSOTWUSYHHEEJE-UHFFFAOYSA-N -1 3 284.283 0.357 20 50 CCGDHM Cc1cnn(CC(=O)NNc2cccc(-c3nnn[n-]3)c2)c1 ZINC000826320401 607337765 /nfs/dbraw/zinc/33/77/65/607337765.db2.gz PDCPZIZHGZGSFR-UHFFFAOYSA-N -1 3 298.310 0.515 20 50 CCGDHM Cc1cnn(CC(=O)NNc2cccc(-c3nn[n-]n3)c2)c1 ZINC000826320401 607337766 /nfs/dbraw/zinc/33/77/66/607337766.db2.gz PDCPZIZHGZGSFR-UHFFFAOYSA-N -1 3 298.310 0.515 20 50 CCGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)[C@H]1CCOC1 ZINC000826446524 607349554 /nfs/dbraw/zinc/34/95/54/607349554.db2.gz OVONJZJWPQPVQU-VIFPVBQESA-N -1 3 274.284 0.346 20 50 CCGDHM CCC[C@H](O)CC(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000825247924 607561545 /nfs/dbraw/zinc/56/15/45/607561545.db2.gz IRTFPDFZIWECFU-NSHDSACASA-N -1 3 290.327 0.861 20 50 CCGDHM O=C(Cn1ccnc1)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826424407 607714213 /nfs/dbraw/zinc/71/42/13/607714213.db2.gz LEIQXTXAVSVGOQ-UHFFFAOYSA-N -1 3 284.283 0.207 20 50 CCGDHM O=C(Cn1ccnc1)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826424407 607714215 /nfs/dbraw/zinc/71/42/15/607714215.db2.gz LEIQXTXAVSVGOQ-UHFFFAOYSA-N -1 3 284.283 0.207 20 50 CCGDHM CC(C)C(=O)NN=Cc1cnc2ccc(-c3nnn[n-]3)cn12 ZINC000735684582 944689982 /nfs/dbraw/zinc/68/99/82/944689982.db2.gz HEFDMRFJNJOOBS-UHFFFAOYSA-N -1 3 298.310 0.621 20 50 CCGDHM CC(C)C(=O)NN=Cc1cnc2ccc(-c3nn[n-]n3)cn12 ZINC000735684582 944689992 /nfs/dbraw/zinc/68/99/92/944689992.db2.gz HEFDMRFJNJOOBS-UHFFFAOYSA-N -1 3 298.310 0.621 20 50 CCGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)C1(O)CCCC1 ZINC000826446578 607339620 /nfs/dbraw/zinc/33/96/20/607339620.db2.gz QTNMKNQQUPWYKM-UHFFFAOYSA-N -1 3 288.311 0.615 20 50 CCGDHM C[C@H](C(=O)NNc1ccc(-c2nn[n-]n2)cc1)n1cccn1 ZINC000824040201 607343754 /nfs/dbraw/zinc/34/37/54/607343754.db2.gz MWBHXSGBQLAPSP-SECBINFHSA-N -1 3 298.310 0.768 20 50 CCGDHM Cc1c(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)cnn1C ZINC000826234957 607344355 /nfs/dbraw/zinc/34/43/55/607344355.db2.gz WIIXWHXCZDQLAA-UHFFFAOYSA-N -1 3 298.310 0.666 20 50 CCGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1csnn1 ZINC000826449148 607716736 /nfs/dbraw/zinc/71/67/36/607716736.db2.gz DOCAMYMWWZZBTJ-UHFFFAOYSA-N -1 3 288.296 0.475 20 50 CCGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1csnn1 ZINC000826449148 607716738 /nfs/dbraw/zinc/71/67/38/607716738.db2.gz DOCAMYMWWZZBTJ-UHFFFAOYSA-N -1 3 288.296 0.475 20 50 CCGDHM N#Cc1ccc(NNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)cc1 ZINC000826386322 607756153 /nfs/dbraw/zinc/75/61/53/607756153.db2.gz ZHARJMBSFOYNIQ-UHFFFAOYSA-N -1 3 294.278 0.823 20 50 CCGDHM N#Cc1ccc(NNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)cc1 ZINC000826386322 607756154 /nfs/dbraw/zinc/75/61/54/607756154.db2.gz ZHARJMBSFOYNIQ-UHFFFAOYSA-N -1 3 294.278 0.823 20 50 CCGDHM O=C([O-])N[C@H](C(=O)NNc1ccncc1)c1ccccc1 ZINC000834256219 605850897 /nfs/dbraw/zinc/85/08/97/605850897.db2.gz GANDTBAGIPCKLJ-LBPRGKRZSA-N -1 3 286.291 0.956 20 50 CCGDHM O=C(NN=Cc1c[nH]cn1)c1cccc(-c2nnn[n-]2)c1 ZINC000826444791 607888956 /nfs/dbraw/zinc/88/89/56/607888956.db2.gz UICANRUFZBSDSW-UHFFFAOYSA-N -1 3 282.267 0.354 20 50 CCGDHM O=C(NN=Cc1c[nH]cn1)c1cccc(-c2nn[n-]n2)c1 ZINC000826444791 607888957 /nfs/dbraw/zinc/88/89/57/607888957.db2.gz UICANRUFZBSDSW-UHFFFAOYSA-N -1 3 282.267 0.354 20 50 CCGDHM Cn1cc(C(=O)NN=Cc2ccc(-c3nnn[n-]3)cc2)cn1 ZINC000737603464 945100306 /nfs/dbraw/zinc/10/03/06/945100306.db2.gz RBADRFHGAGYMGT-UHFFFAOYSA-N -1 3 296.294 0.364 20 50 CCGDHM Cn1cc(C(=O)NN=Cc2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000737603464 945100309 /nfs/dbraw/zinc/10/03/09/945100309.db2.gz RBADRFHGAGYMGT-UHFFFAOYSA-N -1 3 296.294 0.364 20 50 CCGDHM COC[C@H](C)C=NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821681193 945801408 /nfs/dbraw/zinc/80/14/08/945801408.db2.gz 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