smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(=O)NCC(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000823994998 607338317 /nfs/dbraw/zinc/33/83/17/607338317.db2.gz WLBWMUNOCGHCDM-UHFFFAOYSA-N -1 3 275.272 -0.554 20 50 CBGDHM O=C(CCn1cncn1)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826409568 607352968 /nfs/dbraw/zinc/35/29/68/607352968.db2.gz FYGJFOWCPRNEBU-UHFFFAOYSA-N -1 3 299.298 -0.008 20 50 CBGDHM CCNC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000825476410 607708210 /nfs/dbraw/zinc/70/82/10/607708210.db2.gz JILKJWBOEPWQDF-UHFFFAOYSA-N -1 3 264.249 -0.841 20 50 CBGDHM CCNC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000825476410 607708212 /nfs/dbraw/zinc/70/82/12/607708212.db2.gz JILKJWBOEPWQDF-UHFFFAOYSA-N -1 3 264.249 -0.841 20 50 CBGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)C(=O)NC1CC1 ZINC000826447478 607717529 /nfs/dbraw/zinc/71/75/29/607717529.db2.gz HCBNFXAUHBXSGV-UHFFFAOYSA-N -1 3 287.283 -0.412 20 50 CBGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)C(=O)NC1CC1 ZINC000826447478 607717531 /nfs/dbraw/zinc/71/75/31/607717531.db2.gz HCBNFXAUHBXSGV-UHFFFAOYSA-N -1 3 287.283 -0.412 20 50 CBGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)[C@H]1COCCO1 ZINC000826447996 607726338 /nfs/dbraw/zinc/72/63/38/607726338.db2.gz DGGNTIRHKJZXBT-SNVBAGLBSA-N -1 3 290.283 -0.275 20 50 CBGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)[C@H]1COCCO1 ZINC000826447996 607726340 /nfs/dbraw/zinc/72/63/40/607726340.db2.gz DGGNTIRHKJZXBT-SNVBAGLBSA-N -1 3 290.283 -0.275 20 50 CBGDHM C[C@@](CNC(=O)[O-])(NCC(=O)NNC(=O)C1CC1)C1CC1 ZINC000824952029 605166435 /nfs/dbraw/zinc/16/64/35/605166435.db2.gz HLUCFCGQPISDFW-ZDUSSCGKSA-N -1 3 298.343 -0.430 20 50 CBGDHM O=C(NNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1ccc[nH]1 ZINC000823277609 606249016 /nfs/dbraw/zinc/24/90/16/606249016.db2.gz RRRNEQRFFUXVDW-UHFFFAOYSA-N -1 3 286.255 -0.402 20 50 CBGDHM O=C(NNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1ccc[nH]1 ZINC000823277609 606249018 /nfs/dbraw/zinc/24/90/18/606249018.db2.gz RRRNEQRFFUXVDW-UHFFFAOYSA-N -1 3 286.255 -0.402 20 50 CBGDHM CC(=NNC(=O)C(N)=O)c1ccc(-c2nnn[n-]2)s1 ZINC000823948565 608091684 /nfs/dbraw/zinc/09/16/84/608091684.db2.gz SHVLEWZDCSDJDH-UHFFFAOYSA-N -1 3 279.285 -0.746 20 50 CBGDHM CC#CCNC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823937284 608098228 /nfs/dbraw/zinc/09/82/28/608098228.db2.gz PYTRMJUSLJHLGM-UHFFFAOYSA-N -1 3 299.294 -0.166 20 50 CBGDHM CC#CCNC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823937284 608098229 /nfs/dbraw/zinc/09/82/29/608098229.db2.gz PYTRMJUSLJHLGM-UHFFFAOYSA-N -1 3 299.294 -0.166 20 50 CBGDHM CC#CCNC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000823937296 608099022 /nfs/dbraw/zinc/09/90/22/608099022.db2.gz QJNKGTHHEQZGIC-UHFFFAOYSA-N -1 3 299.294 -0.166 20 50 CBGDHM CC#CCNC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000823937296 608099023 /nfs/dbraw/zinc/09/90/23/608099023.db2.gz QJNKGTHHEQZGIC-UHFFFAOYSA-N -1 3 299.294 -0.166 20 50 CBGDHM Nc1nccnc1C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826396710 607352886 /nfs/dbraw/zinc/35/28/86/607352886.db2.gz IWCJJVYEJBONGI-UHFFFAOYSA-N -1 3 297.282 -0.004 20 50 CBGDHM COC[C@@](C)(O)C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826148914 607356450 /nfs/dbraw/zinc/35/64/50/607356450.db2.gz UDBZYFWNQVLLTD-GFCCVEGCSA-N -1 3 292.299 -0.293 20 50 CBGDHM O=C([O-])N1CCO[C@H](C(=O)NNc2ccncc2)C1 ZINC000834050210 605814400 /nfs/dbraw/zinc/81/44/00/605814400.db2.gz XUCJHIRVYVMQFR-VIFPVBQESA-N -1 3 266.257 -0.675 20 50 CBGDHM O=C([O-])N1CC[C@H](C(=O)NNc2ccncc2)C1 ZINC000834048518 605814885 /nfs/dbraw/zinc/81/48/85/605814885.db2.gz MMKHJZHYMLCOPN-QMMMGPOBSA-N -1 3 250.258 -0.054 20 50 CBGDHM O=C(NNc1cnccn1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000823280615 606276419 /nfs/dbraw/zinc/27/64/19/606276419.db2.gz DIOZUIBQWPTMQH-UHFFFAOYSA-N -1 3 271.244 -0.258 20 50 CBGDHM O=C(NNc1cnccn1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000823280615 606276420 /nfs/dbraw/zinc/27/64/20/606276420.db2.gz DIOZUIBQWPTMQH-UHFFFAOYSA-N -1 3 271.244 -0.258 20 50 CBGDHM O=C(NNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC1CC1 ZINC000823277547 606317267 /nfs/dbraw/zinc/31/72/67/606317267.db2.gz PONNMVROFCHDCX-UHFFFAOYSA-N -1 3 276.260 -0.699 20 50 CBGDHM O=C(NNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC1CC1 ZINC000823277547 606317268 /nfs/dbraw/zinc/31/72/68/606317268.db2.gz PONNMVROFCHDCX-UHFFFAOYSA-N -1 3 276.260 -0.699 20 50 CBGDHM Cn1cc(C=NNC(=O)c2cccc(-c3nnn[n-]3)c2)nn1 ZINC000826360111 607888736 /nfs/dbraw/zinc/88/87/36/607888736.db2.gz XYJIJQNFMOVANN-UHFFFAOYSA-N -1 3 297.282 -0.241 20 50 CBGDHM Cn1cc(C=NNC(=O)c2cccc(-c3nn[n-]n3)c2)nn1 ZINC000826360111 607888737 /nfs/dbraw/zinc/88/87/37/607888737.db2.gz XYJIJQNFMOVANN-UHFFFAOYSA-N -1 3 297.282 -0.241 20 50 CBGDHM CCNC(=O)CC(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000825465556 609253835 /nfs/dbraw/zinc/25/38/35/609253835.db2.gz NEFAZNHDPVPLAG-UHFFFAOYSA-N -1 3 289.299 -0.164 20 50 CBGDHM CC(=NNC(=O)C(N)=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000823948689 609272775 /nfs/dbraw/zinc/27/27/75/609272775.db2.gz ULBIPIRGNPGYNS-UHFFFAOYSA-N -1 3 291.246 -0.669 20 50 CBGDHM CC(=NNC(=O)C(N)=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000823948689 609272777 /nfs/dbraw/zinc/27/27/77/609272777.db2.gz ULBIPIRGNPGYNS-UHFFFAOYSA-N -1 3 291.246 -0.669 20 50 CBGDHM C[C@@H](NC(N)=O)C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000824540518 607338456 /nfs/dbraw/zinc/33/84/56/607338456.db2.gz ZLPKJRSAGYYPTM-ZCFIWIBFSA-N -1 3 290.287 -0.633 20 50 CBGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)[C@H]1CCC(=O)N1 ZINC000826479647 607348854 /nfs/dbraw/zinc/34/88/54/607348854.db2.gz DUSVJWPKTMYGJQ-SECBINFHSA-N -1 3 287.283 -0.412 20 50 CBGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)[C@@H]1COCCO1 ZINC000826446433 607349518 /nfs/dbraw/zinc/34/95/18/607349518.db2.gz LPGYROAOWYCNKM-JTQLQIEISA-N -1 3 290.283 -0.275 20 50 CBGDHM CN(C)CC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000825855588 607462493 /nfs/dbraw/zinc/46/24/93/607462493.db2.gz HYEVJUOJWYIATE-UHFFFAOYSA-N -1 3 261.289 -0.129 20 50 CBGDHM O=C([O-])NNC(=O)[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000832745489 603629070 /nfs/dbraw/zinc/62/90/70/603629070.db2.gz XKUBDQDUIRNCGK-CYBMUJFWSA-N -1 3 279.296 -0.078 20 50 CBGDHM O=C(NNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC1CC1 ZINC000826445434 607707610 /nfs/dbraw/zinc/70/76/10/607707610.db2.gz UMTYXVZHGKHIHZ-UHFFFAOYSA-N -1 3 276.260 -0.699 20 50 CBGDHM O=C(NNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC1CC1 ZINC000826445434 607707612 /nfs/dbraw/zinc/70/76/12/607707612.db2.gz UMTYXVZHGKHIHZ-UHFFFAOYSA-N -1 3 276.260 -0.699 20 50 CBGDHM NC(=O)C1(C(=O)NNc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826388580 607728303 /nfs/dbraw/zinc/72/83/03/607728303.db2.gz DTKZNZJRMSXRII-UHFFFAOYSA-N -1 3 287.283 -0.425 20 50 CBGDHM NC(=O)C1(C(=O)NNc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826388580 607728306 /nfs/dbraw/zinc/72/83/06/607728306.db2.gz DTKZNZJRMSXRII-UHFFFAOYSA-N -1 3 287.283 -0.425 20 50 CBGDHM CN(NC(=O)c1cccc(-c2nnn[n-]2)c1)C(N)=O ZINC000826004260 608863645 /nfs/dbraw/zinc/86/36/45/608863645.db2.gz PXQAOKSPHYMXKM-UHFFFAOYSA-N -1 3 261.245 -0.478 20 50 CBGDHM CN(NC(=O)c1cccc(-c2nn[n-]n2)c1)C(N)=O ZINC000826004260 608863648 /nfs/dbraw/zinc/86/36/48/608863648.db2.gz PXQAOKSPHYMXKM-UHFFFAOYSA-N -1 3 261.245 -0.478 20 50 CBGDHM CC(C)NC(=O)NNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000824304798 609449742 /nfs/dbraw/zinc/44/97/42/609449742.db2.gz DWJIBELNSVMPIM-UHFFFAOYSA-N -1 3 278.276 -0.453 20 50 CBGDHM CC(C)NC(=O)NNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000824304798 609449744 /nfs/dbraw/zinc/44/97/44/609449744.db2.gz DWJIBELNSVMPIM-UHFFFAOYSA-N -1 3 278.276 -0.453 20 50 CBGDHM CCCCNC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000825290731 607706916 /nfs/dbraw/zinc/70/69/16/607706916.db2.gz GTBQTTLSLWSONY-UHFFFAOYSA-N -1 3 292.303 -0.061 20 50 CBGDHM CCCCNC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000825290731 607706917 /nfs/dbraw/zinc/70/69/17/607706917.db2.gz GTBQTTLSLWSONY-UHFFFAOYSA-N -1 3 292.303 -0.061 20 50 CBGDHM CCCNC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000825332749 607708130 /nfs/dbraw/zinc/70/81/30/607708130.db2.gz LMELUJPTVDNCKC-UHFFFAOYSA-N -1 3 278.276 -0.451 20 50 CBGDHM CCCNC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000825332749 607708132 /nfs/dbraw/zinc/70/81/32/607708132.db2.gz LMELUJPTVDNCKC-UHFFFAOYSA-N -1 3 278.276 -0.451 20 50 CBGDHM CC(=O)N[C@H](C)C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000823988671 607718013 /nfs/dbraw/zinc/71/80/13/607718013.db2.gz HWJDPTZWFBYHSV-SSDOTTSWSA-N -1 3 289.299 -0.166 20 50 CBGDHM CC(=O)N[C@H](C)C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000823988671 607718014 /nfs/dbraw/zinc/71/80/14/607718014.db2.gz HWJDPTZWFBYHSV-SSDOTTSWSA-N -1 3 289.299 -0.166 20 50 CBGDHM CC(=O)N[C@@H](C)C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000823988680 607718499 /nfs/dbraw/zinc/71/84/99/607718499.db2.gz HWJDPTZWFBYHSV-ZETCQYMHSA-N -1 3 289.299 -0.166 20 50 CBGDHM CC(=O)N[C@@H](C)C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000823988680 607718500 /nfs/dbraw/zinc/71/85/00/607718500.db2.gz HWJDPTZWFBYHSV-ZETCQYMHSA-N -1 3 289.299 -0.166 20 50 CBGDHM O=C([O-])N1CCOC[C@@H]1C(=O)NNc1ccncc1 ZINC000834047314 605850201 /nfs/dbraw/zinc/85/02/01/605850201.db2.gz DQKVVEQGKQOKEA-SECBINFHSA-N -1 3 266.257 -0.675 20 50 CBGDHM CNC(=O)NCC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826067777 608074353 /nfs/dbraw/zinc/07/43/53/608074353.db2.gz JYVXWGHFJXLHHG-UHFFFAOYSA-N -1 3 290.287 -0.761 20 50 CBGDHM CNC(=O)NCC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826067777 608074354 /nfs/dbraw/zinc/07/43/54/608074354.db2.gz JYVXWGHFJXLHHG-UHFFFAOYSA-N -1 3 290.287 -0.761 20 50 CBGDHM CN(NC(=O)Nc1ccc(-c2nnn[n-]2)cc1)C(N)=O ZINC000826004240 608666866 /nfs/dbraw/zinc/66/68/66/608666866.db2.gz PGCDMJFKNOUHNG-UHFFFAOYSA-N -1 3 276.260 -0.086 20 50 CBGDHM CN(NC(=O)Nc1ccc(-c2nn[n-]n2)cc1)C(N)=O ZINC000826004240 608666868 /nfs/dbraw/zinc/66/68/68/608666868.db2.gz PGCDMJFKNOUHNG-UHFFFAOYSA-N -1 3 276.260 -0.086 20 50 CBGDHM O=C(CO)NN=Cc1ccc(-c2nnn[n-]2)cc1F ZINC000826415225 609161282 /nfs/dbraw/zinc/16/12/82/609161282.db2.gz XGGNGFJXNQGITO-UHFFFAOYSA-N -1 3 264.220 -0.552 20 50 CBGDHM O=C(CO)NN=Cc1ccc(-c2nn[n-]n2)cc1F ZINC000826415225 609161283 /nfs/dbraw/zinc/16/12/83/609161283.db2.gz XGGNGFJXNQGITO-UHFFFAOYSA-N -1 3 264.220 -0.552 20 50 CBGDHM O=C(NNC(=O)c1ccncc1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826445493 609407499 /nfs/dbraw/zinc/40/74/99/609407499.db2.gz WRWXFJSJEDKAEA-UHFFFAOYSA-N -1 3 298.266 -0.335 20 50 CBGDHM CCCCNC(=O)NNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000825290871 609445713 /nfs/dbraw/zinc/44/57/13/609445713.db2.gz IVZXPFCCTZUMMZ-UHFFFAOYSA-N -1 3 292.303 -0.061 20 50 CBGDHM CCCCNC(=O)NNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000825290871 609445715 /nfs/dbraw/zinc/44/57/15/609445715.db2.gz IVZXPFCCTZUMMZ-UHFFFAOYSA-N -1 3 292.303 -0.061 20 50 CBGDHM COCCOCC(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826160332 607341879 /nfs/dbraw/zinc/34/18/79/607341879.db2.gz OMPZTPQMCGTPIP-UHFFFAOYSA-N -1 3 292.299 -0.027 20 50 CBGDHM COC[C@](C)(O)C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826148915 607356453 /nfs/dbraw/zinc/35/64/53/607356453.db2.gz UDBZYFWNQVLLTD-LBPRGKRZSA-N -1 3 292.299 -0.293 20 50 CBGDHM NC(=O)NCCC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826393045 607463512 /nfs/dbraw/zinc/46/35/12/607463512.db2.gz ZGOAZCYKULUCPB-UHFFFAOYSA-N -1 3 290.287 -0.632 20 50 CBGDHM NC(=O)NCCC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826393045 607463513 /nfs/dbraw/zinc/46/35/13/607463513.db2.gz ZGOAZCYKULUCPB-UHFFFAOYSA-N -1 3 290.287 -0.632 20 50 CBGDHM CCOC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000825524019 607681385 /nfs/dbraw/zinc/68/13/85/607681385.db2.gz YOHWRVORMGQUQY-UHFFFAOYSA-N -1 3 265.233 -0.414 20 50 CBGDHM CCOC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000825524019 607681387 /nfs/dbraw/zinc/68/13/87/607681387.db2.gz YOHWRVORMGQUQY-UHFFFAOYSA-N -1 3 265.233 -0.414 20 50 CBGDHM O=C(NCC1CC1)NNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826434169 607708865 /nfs/dbraw/zinc/70/88/65/607708865.db2.gz FGWBAMILFNWWLO-UHFFFAOYSA-N -1 3 290.287 -0.451 20 50 CBGDHM O=C(NCC1CC1)NNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826434169 607708867 /nfs/dbraw/zinc/70/88/67/607708867.db2.gz FGWBAMILFNWWLO-UHFFFAOYSA-N -1 3 290.287 -0.451 20 50 CBGDHM CN(C)c1ccncc1C=NNC(=O)CNC(=O)[O-] ZINC000833871475 605382797 /nfs/dbraw/zinc/38/27/97/605382797.db2.gz PGJPXLPBNOJXTE-UHFFFAOYSA-N -1 3 265.273 -0.135 20 50 CBGDHM O=C([O-])N1CSC[C@H]1C(=O)NNc1ccncc1 ZINC000834050183 605851305 /nfs/dbraw/zinc/85/13/05/605851305.db2.gz WXTHOXIKHFBQGN-QMMMGPOBSA-N -1 3 268.298 -0.001 20 50 CBGDHM CC(=NNC(=O)C(N)=O)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823948207 609157483 /nfs/dbraw/zinc/15/74/83/609157483.db2.gz HGXYZEFPYMJXNP-UHFFFAOYSA-N -1 3 291.246 -0.669 20 50 CBGDHM CC(=NNC(=O)C(N)=O)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823948207 609157485 /nfs/dbraw/zinc/15/74/85/609157485.db2.gz HGXYZEFPYMJXNP-UHFFFAOYSA-N -1 3 291.246 -0.669 20 50 CBGDHM CCNC(=O)N(C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000825471620 609166509 /nfs/dbraw/zinc/16/65/09/609166509.db2.gz YUEKWQHQTLUGOZ-UHFFFAOYSA-N -1 3 278.276 -0.499 20 50 CBGDHM CCNC(=O)N(C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000825471620 609166510 /nfs/dbraw/zinc/16/65/10/609166510.db2.gz YUEKWQHQTLUGOZ-UHFFFAOYSA-N -1 3 278.276 -0.499 20 50 CBGDHM O=C(CCn1ccnn1)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826409652 607342303 /nfs/dbraw/zinc/34/23/03/607342303.db2.gz JJBNYWZKVBCSTO-UHFFFAOYSA-N -1 3 299.298 -0.008 20 50 CBGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)C(=O)NC1CC1 ZINC000826446304 607672688 /nfs/dbraw/zinc/67/26/88/607672688.db2.gz GVPSXMSMUFIATG-UHFFFAOYSA-N -1 3 287.283 -0.412 20 50 CBGDHM C[C@H](CNC(=O)NNC(=O)[O-])CN1CCN(C)CC1 ZINC000824940392 604167737 /nfs/dbraw/zinc/16/77/37/604167737.db2.gz XTKCLCNJKYWLST-SECBINFHSA-N -1 3 273.337 -0.648 20 50 CBGDHM CC(C)C(=O)NNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000824185259 607682235 /nfs/dbraw/zinc/68/22/35/607682235.db2.gz SRRGJDXYFFPOEH-UHFFFAOYSA-N -1 3 263.261 -0.388 20 50 CBGDHM CC(C)C(=O)NNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000824185259 607682236 /nfs/dbraw/zinc/68/22/36/607682236.db2.gz SRRGJDXYFFPOEH-UHFFFAOYSA-N -1 3 263.261 -0.388 20 50 CBGDHM C#CC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000823838520 607817283 /nfs/dbraw/zinc/81/72/83/607817283.db2.gz QPIQENOFDXCVOA-UHFFFAOYSA-N -1 3 256.225 -0.739 20 50 CBGDHM C#CC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000823838520 607817284 /nfs/dbraw/zinc/81/72/84/607817284.db2.gz QPIQENOFDXCVOA-UHFFFAOYSA-N -1 3 256.225 -0.739 20 50 CBGDHM O=C(NNc1cnccn1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826449869 608158575 /nfs/dbraw/zinc/15/85/75/608158575.db2.gz MUFUALRUOMZSCC-UHFFFAOYSA-N -1 3 271.244 -0.258 20 50 CBGDHM O=C(NNc1cnccn1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826449869 608158576 /nfs/dbraw/zinc/15/85/76/608158576.db2.gz MUFUALRUOMZSCC-UHFFFAOYSA-N -1 3 271.244 -0.258 20 50 CBGDHM O=C(CO)NN=Cc1cc(-c2nnn[n-]2)cs1 ZINC000826415189 609161327 /nfs/dbraw/zinc/16/13/27/609161327.db2.gz VONOZYXFMXQYCR-UHFFFAOYSA-N -1 3 252.259 -0.629 20 50 CBGDHM O=C(CO)NN=Cc1cc(-c2nn[n-]n2)cs1 ZINC000826415189 609161328 /nfs/dbraw/zinc/16/13/28/609161328.db2.gz VONOZYXFMXQYCR-UHFFFAOYSA-N -1 3 252.259 -0.629 20 50 CBGDHM CN(NC(=O)C=Cc1ccccc1-c1nnn[n-]1)C(N)=O ZINC000826004349 609394545 /nfs/dbraw/zinc/39/45/45/609394545.db2.gz TZJOTINJEFJEIH-SREVYHEPSA-N -1 3 287.283 -0.078 20 50 CBGDHM CN(NC(=O)C=Cc1ccccc1-c1nn[n-]n1)C(N)=O ZINC000826004349 609394547 /nfs/dbraw/zinc/39/45/47/609394547.db2.gz TZJOTINJEFJEIH-SREVYHEPSA-N -1 3 287.283 -0.078 20 50 CBGDHM CN(NC(=O)CCc1ccc(-c2nnn[n-]2)cc1)C(N)=O ZINC000826004288 609397223 /nfs/dbraw/zinc/39/72/23/609397223.db2.gz QSFICHMIPVTOTI-UHFFFAOYSA-N -1 3 289.299 -0.159 20 50 CBGDHM CN(NC(=O)CCc1ccc(-c2nn[n-]n2)cc1)C(N)=O ZINC000826004288 609397224 /nfs/dbraw/zinc/39/72/24/609397224.db2.gz QSFICHMIPVTOTI-UHFFFAOYSA-N -1 3 289.299 -0.159 20 50 CBGDHM O=C(NNC(=O)c1ccc[nH]1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826445201 609417506 /nfs/dbraw/zinc/41/75/06/609417506.db2.gz KNEUMVNYROSGCS-UHFFFAOYSA-N -1 3 286.255 -0.402 20 50 CBGDHM O=C(NNC(=O)c1ccc[nH]1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826445201 609417508 /nfs/dbraw/zinc/41/75/08/609417508.db2.gz KNEUMVNYROSGCS-UHFFFAOYSA-N -1 3 286.255 -0.402 20 50 CBGDHM CC(=O)N(C)CC(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000823967145 607342533 /nfs/dbraw/zinc/34/25/33/607342533.db2.gz JGIREIWIOSBBGK-UHFFFAOYSA-N -1 3 289.299 -0.212 20 50 CBGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)[C@@H]1CCC(=O)N1 ZINC000826479648 607465636 /nfs/dbraw/zinc/46/56/36/607465636.db2.gz DUSVJWPKTMYGJQ-VIFPVBQESA-N -1 3 287.283 -0.412 20 50 CBGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)[C@@H]1CCC(=O)N1 ZINC000826480296 607725551 /nfs/dbraw/zinc/72/55/51/607725551.db2.gz WZWXJTVZUAFQMO-VIFPVBQESA-N -1 3 287.283 -0.412 20 50 CBGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)[C@@H]1CCC(=O)N1 ZINC000826480296 607725553 /nfs/dbraw/zinc/72/55/53/607725553.db2.gz WZWXJTVZUAFQMO-VIFPVBQESA-N -1 3 287.283 -0.412 20 50 CBGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)[C@H]1CNC(=O)C1 ZINC000826479249 607726890 /nfs/dbraw/zinc/72/68/90/607726890.db2.gz UROWATSSESWIMU-MRVPVSSYSA-N -1 3 287.283 -0.554 20 50 CBGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)[C@H]1CNC(=O)C1 ZINC000826479249 607726891 /nfs/dbraw/zinc/72/68/91/607726891.db2.gz UROWATSSESWIMU-MRVPVSSYSA-N -1 3 287.283 -0.554 20 50 CBGDHM O=C([O-])NCC(=O)NNC(=O)[C@@H]1CCCN1C1CCCC1 ZINC000834200697 605465866 /nfs/dbraw/zinc/46/58/66/605465866.db2.gz ORZBADDELSFYRK-JTQLQIEISA-N -1 3 298.343 -0.192 20 50 CBGDHM CC(=NNC(=O)CO)c1ccc(-c2nnn[n-]2)cc1 ZINC000823948053 609160371 /nfs/dbraw/zinc/16/03/71/609160371.db2.gz CCQHUOUQDXAHLH-UHFFFAOYSA-N -1 3 260.257 -0.301 20 50 CBGDHM CC(=NNC(=O)CO)c1ccc(-c2nn[n-]n2)cc1 ZINC000823948053 609160373 /nfs/dbraw/zinc/16/03/73/609160373.db2.gz CCQHUOUQDXAHLH-UHFFFAOYSA-N -1 3 260.257 -0.301 20 50 CBGDHM O=C(CO)NN=Cc1ccc(-c2nnn[n-]2)s1 ZINC000826414575 609161227 /nfs/dbraw/zinc/16/12/27/609161227.db2.gz BPDYZHGUDPEJKR-UHFFFAOYSA-N -1 3 252.259 -0.629 20 50 CBGDHM CCN1CCN(C[C@@H](C)CNC(=O)NNC(=O)[O-])CC1 ZINC000827224021 604170043 /nfs/dbraw/zinc/17/00/43/604170043.db2.gz YTYANRJULMOXHA-JTQLQIEISA-N -1 3 287.364 -0.258 20 50 CBGDHM O=C(NNC(=O)C1CCC1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826444814 607736498 /nfs/dbraw/zinc/73/64/98/607736498.db2.gz VQNXUORFZOIMCV-UHFFFAOYSA-N -1 3 275.272 -0.244 20 50 CBGDHM O=C(NNC(=O)C1CCC1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826444814 607736499 /nfs/dbraw/zinc/73/64/99/607736499.db2.gz VQNXUORFZOIMCV-UHFFFAOYSA-N -1 3 275.272 -0.244 20 50 CBGDHM O=C([O-])N1CCO[C@@H](C(=O)NNc2ccncc2)C1 ZINC000834050209 605814980 /nfs/dbraw/zinc/81/49/80/605814980.db2.gz XUCJHIRVYVMQFR-SECBINFHSA-N -1 3 266.257 -0.675 20 50 CBGDHM O=C(NN=c1nccc[nH]1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000823284072 606253083 /nfs/dbraw/zinc/25/30/83/606253083.db2.gz BLOZTKOMJZXBAX-UHFFFAOYSA-N -1 3 271.244 -0.258 20 50 CBGDHM O=C(NN=c1nccc[nH]1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000823284072 606253085 /nfs/dbraw/zinc/25/30/85/606253085.db2.gz BLOZTKOMJZXBAX-UHFFFAOYSA-N -1 3 271.244 -0.258 20 50 CBGDHM O=C(NNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1ccoc1 ZINC000823277592 606265919 /nfs/dbraw/zinc/26/59/19/606265919.db2.gz RIASWXRTRQARGR-UHFFFAOYSA-N -1 3 287.239 -0.137 20 50 CBGDHM O=C(NNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1ccoc1 ZINC000823277592 606265920 /nfs/dbraw/zinc/26/59/20/606265920.db2.gz RIASWXRTRQARGR-UHFFFAOYSA-N -1 3 287.239 -0.137 20 50 CBGDHM CN(C)CC(=O)NN=Cc1ccccc1-c1nnn[n-]1 ZINC000825854466 607888500 /nfs/dbraw/zinc/88/85/00/607888500.db2.gz BLZOIGDAAHNSFB-UHFFFAOYSA-N -1 3 273.300 -0.122 20 50 CBGDHM CN(C)CC(=O)NN=Cc1ccccc1-c1nn[n-]n1 ZINC000825854466 607888501 /nfs/dbraw/zinc/88/85/01/607888501.db2.gz BLZOIGDAAHNSFB-UHFFFAOYSA-N -1 3 273.300 -0.122 20 50 CBGDHM COCC(=O)NN=Cc1ccccc1-c1nnn[n-]1 ZINC000826147876 607889576 /nfs/dbraw/zinc/88/95/76/607889576.db2.gz OQOYUFCPRVFBAR-UHFFFAOYSA-N -1 3 260.257 -0.037 20 50 CBGDHM COCC(=O)NN=Cc1ccccc1-c1nn[n-]n1 ZINC000826147876 607889577 /nfs/dbraw/zinc/88/95/77/607889577.db2.gz OQOYUFCPRVFBAR-UHFFFAOYSA-N -1 3 260.257 -0.037 20 50 CBGDHM O=C(NNC(=O)C1CCC1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826444411 609212276 /nfs/dbraw/zinc/21/22/76/609212276.db2.gz FNEFJHRBFXVIAF-UHFFFAOYSA-N -1 3 275.272 -0.244 20 50 CBGDHM O=C(NNC(=O)C1CCC1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826444411 609212277 /nfs/dbraw/zinc/21/22/77/609212277.db2.gz FNEFJHRBFXVIAF-UHFFFAOYSA-N -1 3 275.272 -0.244 20 50 CBGDHM O=C(NNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1ccoc1 ZINC000826445304 609451679 /nfs/dbraw/zinc/45/16/79/609451679.db2.gz OPJBMOMAQWUPET-UHFFFAOYSA-N -1 3 287.239 -0.137 20 50 CBGDHM CC(=O)NCC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000823993931 607710958 /nfs/dbraw/zinc/71/09/58/607710958.db2.gz BVEVXYHRQFMHST-UHFFFAOYSA-N -1 3 275.272 -0.554 20 50 CBGDHM CC(=O)NCC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000823993931 607710960 /nfs/dbraw/zinc/71/09/60/607710960.db2.gz BVEVXYHRQFMHST-UHFFFAOYSA-N -1 3 275.272 -0.554 20 50 CBGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)[C@H]1CCC(=O)N1 ZINC000826480295 607725372 /nfs/dbraw/zinc/72/53/72/607725372.db2.gz WZWXJTVZUAFQMO-SECBINFHSA-N -1 3 287.283 -0.412 20 50 CBGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)[C@H]1CCC(=O)N1 ZINC000826480295 607725375 /nfs/dbraw/zinc/72/53/75/607725375.db2.gz WZWXJTVZUAFQMO-SECBINFHSA-N -1 3 287.283 -0.412 20 50 CBGDHM C[C@](CNC(=O)[O-])(NCC(=O)NNC(=O)C1CC1)C1CC1 ZINC000824952028 605166370 /nfs/dbraw/zinc/16/63/70/605166370.db2.gz HLUCFCGQPISDFW-CYBMUJFWSA-N -1 3 298.343 -0.430 20 50 CBGDHM O=C([O-])NCCOCC(=O)NNc1ccncc1 ZINC000834243062 605815625 /nfs/dbraw/zinc/81/56/25/605815625.db2.gz RNOBZPYKGJZSFB-UHFFFAOYSA-N -1 3 254.246 -0.769 20 50 CBGDHM O=C(NNc1cccnn1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826449329 608163531 /nfs/dbraw/zinc/16/35/31/608163531.db2.gz MPYADXHNAOBPMO-UHFFFAOYSA-N -1 3 271.244 -0.258 20 50 CBGDHM CN(NC(=O)Cc1cccc(-c2nnn[n-]2)c1)C(N)=O ZINC000826004107 609394677 /nfs/dbraw/zinc/39/46/77/609394677.db2.gz IRKRYTBKFZVHCJ-UHFFFAOYSA-N -1 3 275.272 -0.549 20 50 CBGDHM CN(NC(=O)Cc1cccc(-c2nn[n-]n2)c1)C(N)=O ZINC000826004107 609394679 /nfs/dbraw/zinc/39/46/79/609394679.db2.gz IRKRYTBKFZVHCJ-UHFFFAOYSA-N -1 3 275.272 -0.549 20 50 CBGDHM COC[C@@](C)(CC(=O)[O-])NCC(=O)NNC(=O)C1CC1 ZINC000831572866 601486629 /nfs/dbraw/zinc/48/66/29/601486629.db2.gz IRXUKXLORPWDJS-GFCCVEGCSA-N -1 3 287.316 -0.987 20 50 CBGDHM COC[C@](C)(CC(=O)[O-])NCC(=O)NNC(=O)C1CC1 ZINC000831572867 601486814 /nfs/dbraw/zinc/48/68/14/601486814.db2.gz IRXUKXLORPWDJS-LBPRGKRZSA-N -1 3 287.316 -0.987 20 50 CBGDHM CCN1CCN(C[C@H](C)CNC(=O)NNC(=O)[O-])CC1 ZINC000827224038 604169792 /nfs/dbraw/zinc/16/97/92/604169792.db2.gz YTYANRJULMOXHA-SNVBAGLBSA-N -1 3 287.364 -0.258 20 50 CBGDHM O=C(NNC(=O)c1ccncc1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826445213 607680198 /nfs/dbraw/zinc/68/01/98/607680198.db2.gz LBCADFMBAZQIPC-UHFFFAOYSA-N -1 3 298.266 -0.335 20 50 CBGDHM O=C(NNC(=O)c1ccncc1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826445213 607680199 /nfs/dbraw/zinc/68/01/99/607680199.db2.gz LBCADFMBAZQIPC-UHFFFAOYSA-N -1 3 298.266 -0.335 20 50 CBGDHM O=C([O-])N1CC[C@@H](C(=O)NNc2ccncc2)C1 ZINC000834048513 605814877 /nfs/dbraw/zinc/81/48/77/605814877.db2.gz MMKHJZHYMLCOPN-MRVPVSSYSA-N -1 3 250.258 -0.054 20 50 CBGDHM C#CC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823838865 607817310 /nfs/dbraw/zinc/81/73/10/607817310.db2.gz VZLKGZWEVPQSMD-UHFFFAOYSA-N -1 3 256.225 -0.739 20 50 CBGDHM C#CC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823838865 607817311 /nfs/dbraw/zinc/81/73/11/607817311.db2.gz VZLKGZWEVPQSMD-UHFFFAOYSA-N -1 3 256.225 -0.739 20 50 CBGDHM CC(=NNC(=O)CO)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823948132 609160160 /nfs/dbraw/zinc/16/01/60/609160160.db2.gz DMBVAFFLGIJRQF-UHFFFAOYSA-N -1 3 278.247 -0.162 20 50 CBGDHM CC(=NNC(=O)CO)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823948132 609160162 /nfs/dbraw/zinc/16/01/62/609160162.db2.gz DMBVAFFLGIJRQF-UHFFFAOYSA-N -1 3 278.247 -0.162 20 50 CBGDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NN(C)C(N)=O ZINC000826249354 609395381 /nfs/dbraw/zinc/39/53/81/609395381.db2.gz YDLHGHLMKFGNFX-UHFFFAOYSA-N -1 3 275.272 -0.170 20 50 CBGDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NN(C)C(N)=O ZINC000826249354 609395383 /nfs/dbraw/zinc/39/53/83/609395383.db2.gz YDLHGHLMKFGNFX-UHFFFAOYSA-N -1 3 275.272 -0.170 20 50 CBGDHM CCOC(=O)NNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000825523833 609407954 /nfs/dbraw/zinc/40/79/54/609407954.db2.gz VUBXTZPSXZXOFI-UHFFFAOYSA-N -1 3 265.233 -0.414 20 50 CBGDHM CCOC(=O)NNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000825523833 609407955 /nfs/dbraw/zinc/40/79/55/609407955.db2.gz VUBXTZPSXZXOFI-UHFFFAOYSA-N -1 3 265.233 -0.414 20 50 CBGDHM CCNC(=O)NNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000825476089 609445795 /nfs/dbraw/zinc/44/57/95/609445795.db2.gz AJQJPXREOJPDQF-UHFFFAOYSA-N -1 3 264.249 -0.841 20 50 CBGDHM CCNC(=O)NNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000825476089 609445797 /nfs/dbraw/zinc/44/57/97/609445797.db2.gz AJQJPXREOJPDQF-UHFFFAOYSA-N -1 3 264.249 -0.841 20 50 CBGDHM NC(=O)CC(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826391051 607348357 /nfs/dbraw/zinc/34/83/57/607348357.db2.gz VJASWWPLWYNQNK-UHFFFAOYSA-N -1 3 261.245 -0.815 20 50 CBGDHM O=C([O-])NNC(=O)[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000832745491 603629307 /nfs/dbraw/zinc/62/93/07/603629307.db2.gz XKUBDQDUIRNCGK-ZDUSSCGKSA-N -1 3 279.296 -0.078 20 50 CBGDHM CNC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000826067237 607669855 /nfs/dbraw/zinc/66/98/55/607669855.db2.gz FNIDUSJTAFWDRU-UHFFFAOYSA-N -1 3 275.272 -0.251 20 50 CBGDHM CNC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000826067237 607669857 /nfs/dbraw/zinc/66/98/57/607669857.db2.gz FNIDUSJTAFWDRU-UHFFFAOYSA-N -1 3 275.272 -0.251 20 50 CBGDHM C[C@@H](CNC(=O)NNC(=O)[O-])CN1CCN(C)CC1 ZINC000824940393 604167830 /nfs/dbraw/zinc/16/78/30/604167830.db2.gz XTKCLCNJKYWLST-VIFPVBQESA-N -1 3 273.337 -0.648 20 50 CBGDHM O=C(NNC(=O)c1cccnc1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826445165 607681982 /nfs/dbraw/zinc/68/19/82/607681982.db2.gz JKDBLHBNIRNFMV-UHFFFAOYSA-N -1 3 298.266 -0.335 20 50 CBGDHM O=C(NN=c1nccc[nH]1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826449982 607692721 /nfs/dbraw/zinc/69/27/21/607692721.db2.gz RNUJDLHTUXUELC-UHFFFAOYSA-N -1 3 271.244 -0.258 20 50 CBGDHM O=C(NN=c1nccc[nH]1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826449982 607692722 /nfs/dbraw/zinc/69/27/22/607692722.db2.gz RNUJDLHTUXUELC-UHFFFAOYSA-N -1 3 271.244 -0.258 20 50 CBGDHM O=C(CCn1cncn1)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826409935 607731567 /nfs/dbraw/zinc/73/15/67/607731567.db2.gz VEGZBDXYHPCNLK-UHFFFAOYSA-N -1 3 299.298 -0.008 20 50 CBGDHM O=C(CCn1cncn1)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826409935 607731568 /nfs/dbraw/zinc/73/15/68/607731568.db2.gz VEGZBDXYHPCNLK-UHFFFAOYSA-N -1 3 299.298 -0.008 20 50 CBGDHM O=C([O-])NCC(=O)NNC(=O)[C@H]1CCCN1C1CCCC1 ZINC000834200698 605465995 /nfs/dbraw/zinc/46/59/95/605465995.db2.gz ORZBADDELSFYRK-SNVBAGLBSA-N -1 3 298.343 -0.192 20 50 CBGDHM O=C([O-])N1C[C@H](O)C[C@@H]1C(=O)NNc1ccncc1 ZINC000834049586 605851086 /nfs/dbraw/zinc/85/10/86/605851086.db2.gz TVVWDUKYWQGXOX-RKDXNWHRSA-N -1 3 266.257 -0.940 20 50 CBGDHM O=C([O-])N1C[C@H](O)C[C@H]1C(=O)NNc1ccncc1 ZINC000834049570 605851283 /nfs/dbraw/zinc/85/12/83/605851283.db2.gz TVVWDUKYWQGXOX-BDAKNGLRSA-N -1 3 266.257 -0.940 20 50 CBGDHM CN(NC(=O)Nc1cccc(-c2nnn[n-]2)c1)C(N)=O ZINC000826004341 608666980 /nfs/dbraw/zinc/66/69/80/608666980.db2.gz SVIJVCQYAXJZBU-UHFFFAOYSA-N -1 3 276.260 -0.086 20 50 CBGDHM CN(NC(=O)Nc1cccc(-c2nn[n-]n2)c1)C(N)=O ZINC000826004341 608666981 /nfs/dbraw/zinc/66/69/81/608666981.db2.gz SVIJVCQYAXJZBU-UHFFFAOYSA-N -1 3 276.260 -0.086 20 50 CBGDHM CCNC(=O)N(C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000825470698 609166067 /nfs/dbraw/zinc/16/60/67/609166067.db2.gz IKWWCYNOZKXRKR-UHFFFAOYSA-N -1 3 278.276 -0.499 20 50 CBGDHM CCNC(=O)N(C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000825470698 609166069 /nfs/dbraw/zinc/16/60/69/609166069.db2.gz IKWWCYNOZKXRKR-UHFFFAOYSA-N -1 3 278.276 -0.499 20 50 CBGDHM CC(C)C(=O)NNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000824185428 609191638 /nfs/dbraw/zinc/19/16/38/609191638.db2.gz ZMSIXBZFXYETDW-UHFFFAOYSA-N -1 3 263.261 -0.388 20 50 CBGDHM CC(C)C(=O)NNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000824185428 609191639 /nfs/dbraw/zinc/19/16/39/609191639.db2.gz ZMSIXBZFXYETDW-UHFFFAOYSA-N -1 3 263.261 -0.388 20 50 CBGDHM CCNC(=O)CC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000825466026 609253606 /nfs/dbraw/zinc/25/36/06/609253606.db2.gz WAMFKMSLNNFNQH-UHFFFAOYSA-N -1 3 289.299 -0.164 20 50 CBGDHM CCNC(=O)CC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000825466026 609253607 /nfs/dbraw/zinc/25/36/07/609253607.db2.gz WAMFKMSLNNFNQH-UHFFFAOYSA-N -1 3 289.299 -0.164 20 50 CBGDHM COC[C@@](C)(O)C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826148584 607337318 /nfs/dbraw/zinc/33/73/18/607337318.db2.gz LVIXHNXEGKDPOQ-GFCCVEGCSA-N -1 3 292.299 -0.293 20 50 CBGDHM COC[C@@](C)(O)C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826148584 607337320 /nfs/dbraw/zinc/33/73/20/607337320.db2.gz LVIXHNXEGKDPOQ-GFCCVEGCSA-N -1 3 292.299 -0.293 20 50 CBGDHM CC(=O)N[C@H](C)C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000823989186 607343684 /nfs/dbraw/zinc/34/36/84/607343684.db2.gz PBCMVPJRGWMCAE-SSDOTTSWSA-N -1 3 289.299 -0.166 20 50 CBGDHM NC(=O)C1(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826388961 607350449 /nfs/dbraw/zinc/35/04/49/607350449.db2.gz NCVFBNDPVZNOET-UHFFFAOYSA-N -1 3 287.283 -0.425 20 50 CBGDHM O=C(NNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)c1ccc[nH]1 ZINC000826445090 607686630 /nfs/dbraw/zinc/68/66/30/607686630.db2.gz GOGPPPUEOTVEGX-UHFFFAOYSA-N -1 3 286.255 -0.402 20 50 CBGDHM O=C(NNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1ccc[nH]1 ZINC000826445090 607686631 /nfs/dbraw/zinc/68/66/31/607686631.db2.gz GOGPPPUEOTVEGX-UHFFFAOYSA-N -1 3 286.255 -0.402 20 50 CBGDHM O=C(NNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1ccoc1 ZINC000826445559 607714143 /nfs/dbraw/zinc/71/41/43/607714143.db2.gz YXLHRVVUDIFUNR-UHFFFAOYSA-N -1 3 287.239 -0.137 20 50 CBGDHM O=C(CCn1ccnn1)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826410037 607715967 /nfs/dbraw/zinc/71/59/67/607715967.db2.gz ZCNCWOYRFCOHRY-UHFFFAOYSA-N -1 3 299.298 -0.008 20 50 CBGDHM O=C(CCn1ccnn1)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826410037 607715969 /nfs/dbraw/zinc/71/59/69/607715969.db2.gz ZCNCWOYRFCOHRY-UHFFFAOYSA-N -1 3 299.298 -0.008 20 50 CBGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)[C@@H]1COCCO1 ZINC000826447995 607726362 /nfs/dbraw/zinc/72/63/62/607726362.db2.gz DGGNTIRHKJZXBT-JTQLQIEISA-N -1 3 290.283 -0.275 20 50 CBGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)[C@@H]1COCCO1 ZINC000826447995 607726363 /nfs/dbraw/zinc/72/63/63/607726363.db2.gz DGGNTIRHKJZXBT-JTQLQIEISA-N -1 3 290.283 -0.275 20 50 CBGDHM Nc1nccnc1C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826396644 607731716 /nfs/dbraw/zinc/73/17/16/607731716.db2.gz GPWSKTLTVSBXPL-UHFFFAOYSA-N -1 3 297.282 -0.004 20 50 CBGDHM Nc1nccnc1C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826396644 607731718 /nfs/dbraw/zinc/73/17/18/607731718.db2.gz GPWSKTLTVSBXPL-UHFFFAOYSA-N -1 3 297.282 -0.004 20 50 CBGDHM O=C([O-])N1CCOC[C@H]1C(=O)NNc1ccncc1 ZINC000834047315 605850348 /nfs/dbraw/zinc/85/03/48/605850348.db2.gz DQKVVEQGKQOKEA-VIFPVBQESA-N -1 3 266.257 -0.675 20 50 CBGDHM O=C([O-])N1CSC[C@@H]1C(=O)NNc1ccncc1 ZINC000834050182 605851048 /nfs/dbraw/zinc/85/10/48/605851048.db2.gz WXTHOXIKHFBQGN-MRVPVSSYSA-N -1 3 268.298 -0.001 20 50 CBGDHM Cn1cc(C=NNC(=O)c2ccc(-c3nnn[n-]3)cc2)nn1 ZINC000826360015 607888015 /nfs/dbraw/zinc/88/80/15/607888015.db2.gz VKEWSRBHDXGTQF-UHFFFAOYSA-N -1 3 297.282 -0.241 20 50 CBGDHM Cn1cc(C=NNC(=O)c2ccc(-c3nn[n-]n3)cc2)nn1 ZINC000826360015 607888016 /nfs/dbraw/zinc/88/80/16/607888016.db2.gz VKEWSRBHDXGTQF-UHFFFAOYSA-N -1 3 297.282 -0.241 20 50 CBGDHM CN(NC(=O)c1ccc(-c2nnn[n-]2)cc1)C(N)=O ZINC000826004210 608863550 /nfs/dbraw/zinc/86/35/50/608863550.db2.gz NSACPMGEZZRHRV-UHFFFAOYSA-N -1 3 261.245 -0.478 20 50 CBGDHM CN(NC(=O)c1ccc(-c2nn[n-]n2)cc1)C(N)=O ZINC000826004210 608863552 /nfs/dbraw/zinc/86/35/52/608863552.db2.gz NSACPMGEZZRHRV-UHFFFAOYSA-N -1 3 261.245 -0.478 20 50 CBGDHM CN(NC(=O)COc1ccccc1-c1nnn[n-]1)C(N)=O ZINC000826004175 608863784 /nfs/dbraw/zinc/86/37/84/608863784.db2.gz MILKFKMACLSJJS-UHFFFAOYSA-N -1 3 291.271 -0.713 20 50 CBGDHM CN(NC(=O)COc1ccccc1-c1nn[n-]n1)C(N)=O ZINC000826004175 608863788 /nfs/dbraw/zinc/86/37/88/608863788.db2.gz MILKFKMACLSJJS-UHFFFAOYSA-N -1 3 291.271 -0.713 20 50 CBGDHM O=C(NCC1CC1)NNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826434467 609446737 /nfs/dbraw/zinc/44/67/37/609446737.db2.gz NPVRCSAFIYYECQ-UHFFFAOYSA-N -1 3 290.287 -0.451 20 50 CBGDHM O=C(NCC1CC1)NNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826434467 609446739 /nfs/dbraw/zinc/44/67/39/609446739.db2.gz NPVRCSAFIYYECQ-UHFFFAOYSA-N -1 3 290.287 -0.451 20 50 CBGDHM O=C(NNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC1CC1 ZINC000826445422 609447207 /nfs/dbraw/zinc/44/72/07/609447207.db2.gz UANXXWLLPANXBT-UHFFFAOYSA-N -1 3 276.260 -0.699 20 50 CBGDHM O=C(NNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC1CC1 ZINC000826445422 609447209 /nfs/dbraw/zinc/44/72/09/609447209.db2.gz UANXXWLLPANXBT-UHFFFAOYSA-N -1 3 276.260 -0.699 20 50 CBGDHM O=C(Cn1cncn1)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826425368 607350604 /nfs/dbraw/zinc/35/06/04/607350604.db2.gz AFCXLABDZPPACJ-UHFFFAOYSA-N -1 3 285.271 -0.399 20 50 CBGDHM NC(=O)NCCC(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826392887 607463621 /nfs/dbraw/zinc/46/36/21/607463621.db2.gz RESDGYKUGZXNQO-UHFFFAOYSA-N -1 3 290.287 -0.632 20 50 CBGDHM O=C(NNC(=O)C1CC1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826444504 607682078 /nfs/dbraw/zinc/68/20/78/607682078.db2.gz JOHXMXXTQYHSRF-UHFFFAOYSA-N -1 3 261.245 -0.634 20 50 CBGDHM O=C(NNC(=O)C1CC1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826444504 607682080 /nfs/dbraw/zinc/68/20/80/607682080.db2.gz JOHXMXXTQYHSRF-UHFFFAOYSA-N -1 3 261.245 -0.634 20 50 CBGDHM CC(C)NC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000824304871 607710110 /nfs/dbraw/zinc/71/01/10/607710110.db2.gz HIPVLXSDQGTFPG-UHFFFAOYSA-N -1 3 278.276 -0.453 20 50 CBGDHM CC(C)NC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000824304871 607710112 /nfs/dbraw/zinc/71/01/12/607710112.db2.gz HIPVLXSDQGTFPG-UHFFFAOYSA-N -1 3 278.276 -0.453 20 50 CBGDHM NC(=O)CC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826390681 607724498 /nfs/dbraw/zinc/72/44/98/607724498.db2.gz IWLKURZWGOJODZ-UHFFFAOYSA-N -1 3 261.245 -0.815 20 50 CBGDHM NC(=O)CC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826390681 607724499 /nfs/dbraw/zinc/72/44/99/607724499.db2.gz IWLKURZWGOJODZ-UHFFFAOYSA-N -1 3 261.245 -0.815 20 50 CBGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)[C@@H]1CNC(=O)C1 ZINC000826479250 607727325 /nfs/dbraw/zinc/72/73/25/607727325.db2.gz UROWATSSESWIMU-QMMMGPOBSA-N -1 3 287.283 -0.554 20 50 CBGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)[C@@H]1CNC(=O)C1 ZINC000826479250 607727327 /nfs/dbraw/zinc/72/73/27/607727327.db2.gz UROWATSSESWIMU-QMMMGPOBSA-N -1 3 287.283 -0.554 20 50 CBGDHM O=C([O-])N1CC(OCC(=O)NNc2ccncc2)C1 ZINC000834010821 605814676 /nfs/dbraw/zinc/81/46/76/605814676.db2.gz HUXZKPYBTNLVFQ-UHFFFAOYSA-N -1 3 266.257 -0.675 20 50 CBGDHM O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)NNc1ccncc1 ZINC000834049581 605850994 /nfs/dbraw/zinc/85/09/94/605850994.db2.gz TVVWDUKYWQGXOX-IUCAKERBSA-N -1 3 266.257 -0.940 20 50 CBGDHM O=C(CO)NN=Cc1c[nH]c2ccc(-c3nnn[n-]3)cc12 ZINC000826414891 609161380 /nfs/dbraw/zinc/16/13/80/609161380.db2.gz LAPJXBDRDXSEAC-UHFFFAOYSA-N -1 3 285.267 -0.210 20 50 CBGDHM O=C(CO)NN=Cc1c[nH]c2ccc(-c3nn[n-]n3)cc12 ZINC000826414891 609161382 /nfs/dbraw/zinc/16/13/82/609161382.db2.gz LAPJXBDRDXSEAC-UHFFFAOYSA-N -1 3 285.267 -0.210 20 50 CBGDHM O=C(NNC(=O)c1cccnc1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826445248 609407420 /nfs/dbraw/zinc/40/74/20/609407420.db2.gz MAYCQSCMNGSMGQ-UHFFFAOYSA-N -1 3 298.266 -0.335 20 50 CBGDHM CCCNC(=O)NNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000825333437 609448465 /nfs/dbraw/zinc/44/84/65/609448465.db2.gz YCYVPERHBBZFIO-UHFFFAOYSA-N -1 3 278.276 -0.451 20 50 CBGDHM CCCNC(=O)NNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000825333437 609448468 /nfs/dbraw/zinc/44/84/68/609448468.db2.gz YCYVPERHBBZFIO-UHFFFAOYSA-N -1 3 278.276 -0.451 20 50 CBGDHM COC[C@](C)(O)C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826148585 607337604 /nfs/dbraw/zinc/33/76/04/607337604.db2.gz LVIXHNXEGKDPOQ-LBPRGKRZSA-N -1 3 292.299 -0.293 20 50 CBGDHM COC[C@](C)(O)C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826148585 607337606 /nfs/dbraw/zinc/33/76/06/607337606.db2.gz LVIXHNXEGKDPOQ-LBPRGKRZSA-N -1 3 292.299 -0.293 20 50 CBGDHM C[C@H](NC(N)=O)C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000824540517 607338327 /nfs/dbraw/zinc/33/83/27/607338327.db2.gz ZLPKJRSAGYYPTM-LURJTMIESA-N -1 3 290.287 -0.633 20 50 CBGDHM CC(=O)N[C@@H](C)C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000823989187 607344024 /nfs/dbraw/zinc/34/40/24/607344024.db2.gz PBCMVPJRGWMCAE-ZETCQYMHSA-N -1 3 289.299 -0.166 20 50 CBGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)[C@H]1COCCO1 ZINC000826446434 607349680 /nfs/dbraw/zinc/34/96/80/607349680.db2.gz LPGYROAOWYCNKM-SNVBAGLBSA-N -1 3 290.283 -0.275 20 50 CBGDHM C[C@@H](NC(N)=O)C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000824538411 607711169 /nfs/dbraw/zinc/71/11/69/607711169.db2.gz IWXDXBZSCGJMFF-ZCFIWIBFSA-N -1 3 290.287 -0.633 20 50 CBGDHM C[C@@H](NC(N)=O)C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000824538411 607711171 /nfs/dbraw/zinc/71/11/71/607711171.db2.gz IWXDXBZSCGJMFF-ZCFIWIBFSA-N -1 3 290.287 -0.633 20 50 CBGDHM CC(=O)N(C)CC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000823967053 607716627 /nfs/dbraw/zinc/71/66/27/607716627.db2.gz HPHFVEVJBGNTSV-UHFFFAOYSA-N -1 3 289.299 -0.212 20 50 CBGDHM CC(=O)N(C)CC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000823967053 607716630 /nfs/dbraw/zinc/71/66/30/607716630.db2.gz HPHFVEVJBGNTSV-UHFFFAOYSA-N -1 3 289.299 -0.212 20 50 CBGDHM O=C(Cn1cncn1)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826425375 607728357 /nfs/dbraw/zinc/72/83/57/607728357.db2.gz APJOYNHHUPGLPU-UHFFFAOYSA-N -1 3 285.271 -0.399 20 50 CBGDHM O=C(Cn1cncn1)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826425375 607728359 /nfs/dbraw/zinc/72/83/59/607728359.db2.gz APJOYNHHUPGLPU-UHFFFAOYSA-N -1 3 285.271 -0.399 20 50 CBGDHM CC(=NNC(=O)CO)c1ccc(-c2nnn[n-]2)s1 ZINC000823948682 609160279 /nfs/dbraw/zinc/16/02/79/609160279.db2.gz UKGKFNYXKXANOX-UHFFFAOYSA-N -1 3 266.286 -0.239 20 50 CBGDHM COCCOCC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826160124 607715146 /nfs/dbraw/zinc/71/51/46/607715146.db2.gz GACTVNPAIMAYDS-UHFFFAOYSA-N -1 3 292.299 -0.027 20 50 CBGDHM COCCOCC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826160124 607715148 /nfs/dbraw/zinc/71/51/48/607715148.db2.gz GACTVNPAIMAYDS-UHFFFAOYSA-N -1 3 292.299 -0.027 20 50 CBGDHM O=C([O-])N1C[C@@H](O)C[C@@H]1C(=O)NNc1ccncc1 ZINC000834049575 605850945 /nfs/dbraw/zinc/85/09/45/605850945.db2.gz TVVWDUKYWQGXOX-DTWKUNHWSA-N -1 3 266.257 -0.940 20 50 CBGDHM O=C(NN=Cc1ccccc1-c1nnn[n-]1)C(=O)NC1CC1 ZINC000826444704 607885663 /nfs/dbraw/zinc/88/56/63/607885663.db2.gz QRZNXIXFEQUPMN-UHFFFAOYSA-N -1 3 299.294 -0.405 20 50 CBGDHM O=C(NN=Cc1ccccc1-c1nn[n-]n1)C(=O)NC1CC1 ZINC000826444704 607885664 /nfs/dbraw/zinc/88/56/64/607885664.db2.gz QRZNXIXFEQUPMN-UHFFFAOYSA-N -1 3 299.294 -0.405 20 50 CBGDHM CNC(=O)NCC(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826068212 608074368 /nfs/dbraw/zinc/07/43/68/608074368.db2.gz OWJXVDRAICACJI-UHFFFAOYSA-N -1 3 290.287 -0.761 20 50 CBGDHM CN(NC(=O)Cc1ccc(-c2nnn[n-]2)cc1)C(N)=O ZINC000826004280 609395060 /nfs/dbraw/zinc/39/50/60/609395060.db2.gz QOSLUMIPFQZUDP-UHFFFAOYSA-N -1 3 275.272 -0.549 20 50 CBGDHM CN(NC(=O)C=Cc1ccccc1-c1nnn[n-]1)C(N)=O ZINC000826004350 609394662 /nfs/dbraw/zinc/39/46/62/609394662.db2.gz TZJOTINJEFJEIH-VOTSOKGWSA-N -1 3 287.283 -0.078 20 50 CBGDHM CN(NC(=O)C=Cc1ccccc1-c1nn[n-]n1)C(N)=O ZINC000826004350 609394664 /nfs/dbraw/zinc/39/46/64/609394664.db2.gz TZJOTINJEFJEIH-VOTSOKGWSA-N -1 3 287.283 -0.078 20 50 CBGDHM CN(NC(=O)Cc1ccc(-c2nn[n-]n2)cc1)C(N)=O ZINC000826004280 609395063 /nfs/dbraw/zinc/39/50/63/609395063.db2.gz QOSLUMIPFQZUDP-UHFFFAOYSA-N -1 3 275.272 -0.549 20 50 CBGDHM O=C(NNC(=O)C1CC1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826444874 609409776 /nfs/dbraw/zinc/40/97/76/609409776.db2.gz YAXACGCFNKRWER-UHFFFAOYSA-N -1 3 261.245 -0.634 20 50 CBGDHM O=C(NNC(=O)C1CC1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826444874 609409780 /nfs/dbraw/zinc/40/97/80/609409780.db2.gz YAXACGCFNKRWER-UHFFFAOYSA-N -1 3 261.245 -0.634 20 50 CBGDHM CC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000823994987 607337013 /nfs/dbraw/zinc/33/70/13/607337013.db2.gz VYASVAYFLPCPGO-UHFFFAOYSA-N -1 3 260.257 -0.044 20 50 CBGDHM CC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000823994987 607337015 /nfs/dbraw/zinc/33/70/15/607337015.db2.gz VYASVAYFLPCPGO-UHFFFAOYSA-N -1 3 260.257 -0.044 20 50 CBGDHM C[C@H](NC(N)=O)C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000824538410 607711324 /nfs/dbraw/zinc/71/13/24/607711324.db2.gz IWXDXBZSCGJMFF-LURJTMIESA-N -1 3 290.287 -0.633 20 50 CBGDHM C[C@H](NC(N)=O)C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000824538410 607711325 /nfs/dbraw/zinc/71/13/25/607711325.db2.gz IWXDXBZSCGJMFF-LURJTMIESA-N -1 3 290.287 -0.633 20 50 CBGDHM O=C(NNc1cccnn1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000823280898 606277681 /nfs/dbraw/zinc/27/76/81/606277681.db2.gz HWTZOBHLBFFGCY-UHFFFAOYSA-N -1 3 271.244 -0.258 20 50 CBGDHM CC(=NNC(=O)CO)c1cccc(-c2nn[n-]n2)c1 ZINC000823948557 609160106 /nfs/dbraw/zinc/16/01/06/609160106.db2.gz RWJIWMFNRFMBMV-UHFFFAOYSA-N -1 3 260.257 -0.301 20 50 CBGDHM CC(=NNC(=O)CO)c1cccc(-c2nnn[n-]2)c1 ZINC000823948557 609160105 /nfs/dbraw/zinc/16/01/05/609160105.db2.gz RWJIWMFNRFMBMV-UHFFFAOYSA-N -1 3 260.257 -0.301 20 50 CBGDHM COc1ccc(C=NNC(=O)CO)cc1-c1nnn[n-]1 ZINC000826190743 609161557 /nfs/dbraw/zinc/16/15/57/609161557.db2.gz MAFZMDZKQYTIAS-UHFFFAOYSA-N -1 3 276.256 -0.682 20 50 CBGDHM COc1ccc(C=NNC(=O)CO)cc1-c1nn[n-]n1 ZINC000826190743 609161559 /nfs/dbraw/zinc/16/15/59/609161559.db2.gz MAFZMDZKQYTIAS-UHFFFAOYSA-N -1 3 276.256 -0.682 20 50 CBGDHM CC(=NNC(=O)CO)c1ccc(-c2nnn[n-]2)cc1F ZINC000823948744 609277199 /nfs/dbraw/zinc/27/71/99/609277199.db2.gz VVOPTPMJEPRCRC-UHFFFAOYSA-N -1 3 278.247 -0.162 20 50 CBGDHM CC(=NNC(=O)CO)c1ccc(-c2nn[n-]n2)cc1F ZINC000823948744 609277201 /nfs/dbraw/zinc/27/72/01/609277201.db2.gz VVOPTPMJEPRCRC-UHFFFAOYSA-N -1 3 278.247 -0.162 20 50 CBGDHM CN(NC(=O)CNc1ccc(-c2nn[n-]n2)cc1)C(N)=O ZINC000826004182 609394600 /nfs/dbraw/zinc/39/46/00/609394600.db2.gz MNOQHGRXXBXDIH-UHFFFAOYSA-N -1 3 290.287 -0.680 20 50 CBGDHM CN(NC(=O)COc1cccc(-c2nnn[n-]2)c1)C(N)=O ZINC000826004334 609394707 /nfs/dbraw/zinc/39/47/07/609394707.db2.gz SOQDSXDPBZQPMS-UHFFFAOYSA-N -1 3 291.271 -0.713 20 50 CBGDHM CN(NC(=O)COc1cccc(-c2nn[n-]n2)c1)C(N)=O ZINC000826004334 609394709 /nfs/dbraw/zinc/39/47/09/609394709.db2.gz SOQDSXDPBZQPMS-UHFFFAOYSA-N -1 3 291.271 -0.713 20 50 CBGDHM CN(NC(=O)COc1ccc(-c2nn[n-]n2)cc1)C(N)=O ZINC000826004283 609394983 /nfs/dbraw/zinc/39/49/83/609394983.db2.gz QQHIXHOPTRHGBN-UHFFFAOYSA-N -1 3 291.271 -0.713 20 50 CBGDHM