smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(NNC(=O)N1CCOCC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738135764 945227063 /nfs/dbraw/zinc/22/70/63/945227063.db2.gz BKEJPJBICZEEKS-UHFFFAOYSA-N -1 3 318.297 -1.052 20 50 DAGDHM O=C(NNC(=O)[C@H]1CCC(=O)N1)c1cccc(-c2nnn[n-]2)c1 ZINC000738299657 945258223 /nfs/dbraw/zinc/25/82/23/945258223.db2.gz AWVPJWPOIMCIQB-SECBINFHSA-N -1 3 315.293 -1.094 20 50 DAGDHM O=C(NNC(=O)[C@H]1CCC(=O)N1)c1cccc(-c2nn[n-]n2)c1 ZINC000738299657 945258229 /nfs/dbraw/zinc/25/82/29/945258229.db2.gz AWVPJWPOIMCIQB-SECBINFHSA-N -1 3 315.293 -1.094 20 50 DAGDHM O=C(NNC(=O)N1CCOCC1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000823276978 946390843 /nfs/dbraw/zinc/39/08/43/946390843.db2.gz AOVNUGFSPWLZFR-UHFFFAOYSA-N -1 3 306.286 -1.119 20 50 DAGDHM O=C(NNC(=O)N1CCOCC1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000823276978 946390853 /nfs/dbraw/zinc/39/08/53/946390853.db2.gz AOVNUGFSPWLZFR-UHFFFAOYSA-N -1 3 306.286 -1.119 20 50 DAGDHM O=C(NNC(=O)N1CCOCC1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826445243 607712621 /nfs/dbraw/zinc/71/26/21/607712621.db2.gz LXPWMZQAXOBWIV-UHFFFAOYSA-N -1 3 306.286 -1.119 20 50 DAGDHM O=C(NNC(=O)N1CCOCC1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826445243 607712623 /nfs/dbraw/zinc/71/26/23/607712623.db2.gz LXPWMZQAXOBWIV-UHFFFAOYSA-N -1 3 306.286 -1.119 20 50 DAGDHM O=C(NNC(=O)[C@H]1COCCO1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826444773 607746140 /nfs/dbraw/zinc/74/61/40/607746140.db2.gz TXIJWOPTCUISAN-MRVPVSSYSA-N -1 3 307.270 -1.629 20 50 DAGDHM O=C(NNC(=O)[C@H]1COCCO1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826444773 607746141 /nfs/dbraw/zinc/74/61/41/607746141.db2.gz TXIJWOPTCUISAN-MRVPVSSYSA-N -1 3 307.270 -1.629 20 50 DAGDHM O=C([O-])NCC(=O)NNC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000834205267 605514569 /nfs/dbraw/zinc/51/45/69/605514569.db2.gz VJVRNOALMYWWOA-RKDXNWHRSA-N -1 3 315.330 -1.552 20 50 DAGDHM NC(=O)NCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737758948 945121828 /nfs/dbraw/zinc/12/18/28/945121828.db2.gz QENXSXDOGAVPIO-UHFFFAOYSA-N -1 3 304.270 -1.704 20 50 DAGDHM NC(=O)NCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737758948 945121832 /nfs/dbraw/zinc/12/18/32/945121832.db2.gz QENXSXDOGAVPIO-UHFFFAOYSA-N -1 3 304.270 -1.704 20 50 DAGDHM O=C(Cn1cnnn1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737988510 945172486 /nfs/dbraw/zinc/17/24/86/945172486.db2.gz KPZRUBUTWZGDBB-UHFFFAOYSA-N -1 3 314.269 -1.686 20 50 DAGDHM O=C(Cn1cnnn1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737988510 945172489 /nfs/dbraw/zinc/17/24/89/945172489.db2.gz KPZRUBUTWZGDBB-UHFFFAOYSA-N -1 3 314.269 -1.686 20 50 DAGDHM O=C(NNC(=O)[C@@H]1CNC(=O)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000738296159 945258138 /nfs/dbraw/zinc/25/81/38/945258138.db2.gz KLACCOJCRPDNLG-VIFPVBQESA-N -1 3 315.293 -1.236 20 50 DAGDHM O=C(NNC(=O)[C@@H]1CNC(=O)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000738296159 945258146 /nfs/dbraw/zinc/25/81/46/945258146.db2.gz KLACCOJCRPDNLG-VIFPVBQESA-N -1 3 315.293 -1.236 20 50 DAGDHM C[C@H](NC(N)=O)C(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736135948 944749483 /nfs/dbraw/zinc/74/94/83/944749483.db2.gz ZCCLRCAHNTUQJY-LURJTMIESA-N -1 3 318.297 -1.316 20 50 DAGDHM C[C@H](NC(N)=O)C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736135948 944749489 /nfs/dbraw/zinc/74/94/89/944749489.db2.gz ZCCLRCAHNTUQJY-LURJTMIESA-N -1 3 318.297 -1.316 20 50 DAGDHM CNC(=O)NNC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736879379 944904201 /nfs/dbraw/zinc/90/42/01/944904201.db2.gz UYYXVFLZPBKMKP-UHFFFAOYSA-N -1 3 318.297 -1.443 20 50 DAGDHM CNC(=O)NNC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736879379 944904207 /nfs/dbraw/zinc/90/42/07/944904207.db2.gz UYYXVFLZPBKMKP-UHFFFAOYSA-N -1 3 318.297 -1.443 20 50 DAGDHM Cn1cnn(CC(=O)NNc2ccc(-c3nn[n-]n3)cc2)c1=O ZINC000826365198 948143265 /nfs/dbraw/zinc/14/32/65/948143265.db2.gz FLZDRPMDNWADJO-UHFFFAOYSA-N -1 3 315.297 -1.095 20 50 DAGDHM O=C([O-])NCC(=O)NNC(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000834205265 605515088 /nfs/dbraw/zinc/51/50/88/605515088.db2.gz VJVRNOALMYWWOA-DTWKUNHWSA-N -1 3 315.330 -1.552 20 50 DAGDHM NC(=O)C1(C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000737737735 945121074 /nfs/dbraw/zinc/12/10/74/945121074.db2.gz FEGRFCFJQVNZIS-UHFFFAOYSA-N -1 3 315.293 -1.107 20 50 DAGDHM NC(=O)C1(C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000737737735 945121077 /nfs/dbraw/zinc/12/10/77/945121077.db2.gz FEGRFCFJQVNZIS-UHFFFAOYSA-N -1 3 315.293 -1.107 20 50 DAGDHM O=C(NNC(=O)[C@@H]1CCC(=O)N1)c1cccc(-c2nnn[n-]2)c1 ZINC000738299660 945257980 /nfs/dbraw/zinc/25/79/80/945257980.db2.gz AWVPJWPOIMCIQB-VIFPVBQESA-N -1 3 315.293 -1.094 20 50 DAGDHM O=C(NNC(=O)[C@@H]1CCC(=O)N1)c1cccc(-c2nn[n-]n2)c1 ZINC000738299660 945257984 /nfs/dbraw/zinc/25/79/84/945257984.db2.gz AWVPJWPOIMCIQB-VIFPVBQESA-N -1 3 315.293 -1.094 20 50 DAGDHM CC(=O)NCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000735476200 944663319 /nfs/dbraw/zinc/66/33/19/944663319.db2.gz VFMMHCAXIBODSZ-UHFFFAOYSA-N -1 3 303.282 -1.236 20 50 DAGDHM CC(=O)NCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000735476200 944663329 /nfs/dbraw/zinc/66/33/29/944663329.db2.gz VFMMHCAXIBODSZ-UHFFFAOYSA-N -1 3 303.282 -1.236 20 50 DAGDHM NC(=O)CC(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000822865011 946205057 /nfs/dbraw/zinc/20/50/57/946205057.db2.gz SEELQCXUBLGLKN-UHFFFAOYSA-N -1 3 319.281 -1.732 20 50 DAGDHM CNS(=O)(=O)CC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826090940 607731508 /nfs/dbraw/zinc/73/15/08/607731508.db2.gz RGFXGBUFKLFWGI-UHFFFAOYSA-N -1 3 311.327 -1.141 20 50 DAGDHM CNS(=O)(=O)CC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826090940 607731510 /nfs/dbraw/zinc/73/15/10/607731510.db2.gz RGFXGBUFKLFWGI-UHFFFAOYSA-N -1 3 311.327 -1.141 20 50 DAGDHM O=C([O-])NCC(=O)NNC(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000834205264 605514934 /nfs/dbraw/zinc/51/49/34/605514934.db2.gz VJVRNOALMYWWOA-BDAKNGLRSA-N -1 3 315.330 -1.552 20 50 DAGDHM CC(=O)NNC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000735481719 944664311 /nfs/dbraw/zinc/66/43/11/944664311.db2.gz KTJRRIQCQQWXGK-UHFFFAOYSA-N -1 3 303.282 -1.236 20 50 DAGDHM CC(=O)NNC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000735481719 944664316 /nfs/dbraw/zinc/66/43/16/944664316.db2.gz KTJRRIQCQQWXGK-UHFFFAOYSA-N -1 3 303.282 -1.236 20 50 DAGDHM CNC(=O)NCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826067102 608046408 /nfs/dbraw/zinc/04/64/08/608046408.db2.gz BGDQSMPSCDFFQK-UHFFFAOYSA-N -1 3 318.297 -1.443 20 50 DAGDHM CNC(=O)NCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826067102 608046409 /nfs/dbraw/zinc/04/64/09/608046409.db2.gz BGDQSMPSCDFFQK-UHFFFAOYSA-N -1 3 318.297 -1.443 20 50 DAGDHM NC(=O)C1(C(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000737738433 945120973 /nfs/dbraw/zinc/12/09/73/945120973.db2.gz JGYOICRJEJCPLR-UHFFFAOYSA-N -1 3 315.293 -1.107 20 50 DAGDHM NC(=O)C1(C(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000737738433 945120975 /nfs/dbraw/zinc/12/09/75/945120975.db2.gz JGYOICRJEJCPLR-UHFFFAOYSA-N -1 3 315.293 -1.107 20 50 DAGDHM NC(=O)NCCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737758378 945122819 /nfs/dbraw/zinc/12/28/19/945122819.db2.gz JZZVJLKVAKKXDK-UHFFFAOYSA-N -1 3 318.297 -1.314 20 50 DAGDHM NC(=O)NCCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737758378 945122827 /nfs/dbraw/zinc/12/28/27/945122827.db2.gz JZZVJLKVAKKXDK-UHFFFAOYSA-N -1 3 318.297 -1.314 20 50 DAGDHM CN(C)S(=O)(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736770503 944886641 /nfs/dbraw/zinc/88/66/41/944886641.db2.gz MARIJPGZZFUILM-UHFFFAOYSA-N -1 3 311.327 -1.093 20 50 DAGDHM CN(C)S(=O)(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736770503 944886646 /nfs/dbraw/zinc/88/66/46/944886646.db2.gz MARIJPGZZFUILM-UHFFFAOYSA-N -1 3 311.327 -1.093 20 50 DAGDHM O=C([O-])C[NH+]1CCC(NC(=O)N[N-]C(=O)c2cn[nH]c2)CC1 ZINC001606240539 973515236 /nfs/dbraw/zinc/51/52/36/973515236.db2.gz NWSFXLLAQLIONA-UHFFFAOYSA-N -1 3 310.314 -1.097 20 50 DAGDHM O=C(CN1CC(=O)NC1=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826409893 607721092 /nfs/dbraw/zinc/72/10/92/607721092.db2.gz SNWSRVBZRNUGBQ-UHFFFAOYSA-N -1 3 316.281 -1.138 20 50 DAGDHM CN(NC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1)C(N)=O ZINC000826004372 609435233 /nfs/dbraw/zinc/43/52/33/609435233.db2.gz UUVXWELZTBHDQY-UHFFFAOYSA-N -1 3 318.297 -1.362 20 50 DAGDHM CN(NC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1)C(N)=O ZINC000826004372 609435234 /nfs/dbraw/zinc/43/52/34/609435234.db2.gz UUVXWELZTBHDQY-UHFFFAOYSA-N -1 3 318.297 -1.362 20 50 DAGDHM O=C(Cn1cncn1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737988082 945172447 /nfs/dbraw/zinc/17/24/47/945172447.db2.gz FXMHVQODHVRRJR-UHFFFAOYSA-N -1 3 313.281 -1.081 20 50 DAGDHM O=C(Cn1cncn1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737988082 945172452 /nfs/dbraw/zinc/17/24/52/945172452.db2.gz FXMHVQODHVRRJR-UHFFFAOYSA-N -1 3 313.281 -1.081 20 50 DAGDHM CN(C)CC(=O)NNC(=O)COc1cccc(-c2nn[n-]n2)c1 ZINC000736765043 944886996 /nfs/dbraw/zinc/88/69/96/944886996.db2.gz SXNLSWHDGMFYKO-UHFFFAOYSA-N -1 3 319.325 -1.046 20 50 DAGDHM Cn1cc(-c2nnn[n-]2)cc1C(=O)NNC(=O)[C@@H]1COCCO1 ZINC000822645791 946144451 /nfs/dbraw/zinc/14/44/51/946144451.db2.gz PMVPENYDGBLGSY-VIFPVBQESA-N -1 3 321.297 -1.618 20 50 DAGDHM Cn1cc(-c2nn[n-]n2)cc1C(=O)NNC(=O)[C@@H]1COCCO1 ZINC000822645791 946144454 /nfs/dbraw/zinc/14/44/54/946144454.db2.gz PMVPENYDGBLGSY-VIFPVBQESA-N -1 3 321.297 -1.618 20 50 DAGDHM Cn1cc(-c2nnn[n-]2)cc1C(=O)NNC(=O)[C@H]1COCCO1 ZINC000822645790 946145155 /nfs/dbraw/zinc/14/51/55/946145155.db2.gz PMVPENYDGBLGSY-SECBINFHSA-N -1 3 321.297 -1.618 20 50 DAGDHM Cn1cc(-c2nn[n-]n2)cc1C(=O)NNC(=O)[C@H]1COCCO1 ZINC000822645790 946145159 /nfs/dbraw/zinc/14/51/59/946145159.db2.gz PMVPENYDGBLGSY-SECBINFHSA-N -1 3 321.297 -1.618 20 50 DAGDHM Cn1cc(-c2nnn[n-]2)cc1C(=O)NNC(=O)N1CCOCC1 ZINC000822645602 946145601 /nfs/dbraw/zinc/14/56/01/946145601.db2.gz GUZHTSWKAPTPFE-UHFFFAOYSA-N -1 3 320.313 -1.108 20 50 DAGDHM Cn1cc(-c2nn[n-]n2)cc1C(=O)NNC(=O)N1CCOCC1 ZINC000822645602 946145607 /nfs/dbraw/zinc/14/56/07/946145607.db2.gz GUZHTSWKAPTPFE-UHFFFAOYSA-N -1 3 320.313 -1.108 20 50 DAGDHM Cn1cnn(CC(=O)NNc2cccc(-c3nnn[n-]3)c2)c1=O ZINC000826365270 948144576 /nfs/dbraw/zinc/14/45/76/948144576.db2.gz HIJVNSKQPJGQSI-UHFFFAOYSA-N -1 3 315.297 -1.095 20 50 DAGDHM Cn1cnn(CC(=O)NNc2cccc(-c3nn[n-]n3)c2)c1=O ZINC000826365270 948144582 /nfs/dbraw/zinc/14/45/82/948144582.db2.gz HIJVNSKQPJGQSI-UHFFFAOYSA-N -1 3 315.297 -1.095 20 50 DAGDHM Cn1cc(C(=O)[N-]NC(=O)NC2CC[NH+](CC(=O)[O-])CC2)cn1 ZINC001594530423 955527648 /nfs/dbraw/zinc/52/76/48/955527648.db2.gz SJMUFTKZDCWYJZ-UHFFFAOYSA-N -1 3 324.341 -1.087 20 50 DAGDHM CNS(=O)(=O)CC(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826090535 607352585 /nfs/dbraw/zinc/35/25/85/607352585.db2.gz IRXRUHNRXZMNFW-UHFFFAOYSA-N -1 3 311.327 -1.141 20 50 DAGDHM O=C([O-])NCC(=O)NNC(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000834205266 605514630 /nfs/dbraw/zinc/51/46/30/605514630.db2.gz VJVRNOALMYWWOA-IUCAKERBSA-N -1 3 315.330 -1.552 20 50 DAGDHM CNC(=O)NCC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826067464 608046349 /nfs/dbraw/zinc/04/63/49/608046349.db2.gz GGYXCOUWWYUOOX-UHFFFAOYSA-N -1 3 318.297 -1.443 20 50 DAGDHM CNC(=O)NCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826067464 608046350 /nfs/dbraw/zinc/04/63/50/608046350.db2.gz GGYXCOUWWYUOOX-UHFFFAOYSA-N -1 3 318.297 -1.443 20 50 DAGDHM O=C(NNC(=O)N1CCOCC1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826445231 609451648 /nfs/dbraw/zinc/45/16/48/609451648.db2.gz LMFWCFCOZLPVGS-UHFFFAOYSA-N -1 3 306.286 -1.119 20 50 DAGDHM O=C(NNC(=O)N1CCOCC1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826445231 609451649 /nfs/dbraw/zinc/45/16/49/609451649.db2.gz LMFWCFCOZLPVGS-UHFFFAOYSA-N -1 3 306.286 -1.119 20 50 DAGDHM O=C(NNC(=O)[C@H]1CNC(=O)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000738296155 945258182 /nfs/dbraw/zinc/25/81/82/945258182.db2.gz KLACCOJCRPDNLG-SECBINFHSA-N -1 3 315.293 -1.236 20 50 DAGDHM O=C(NNC(=O)[C@H]1CNC(=O)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000738296155 945258185 /nfs/dbraw/zinc/25/81/85/945258185.db2.gz KLACCOJCRPDNLG-SECBINFHSA-N -1 3 315.293 -1.236 20 50 DAGDHM O=C(NNC(=O)[C@@H]1CCC(=O)N1)c1ccc(-c2nnn[n-]2)cc1 ZINC000738304527 945258998 /nfs/dbraw/zinc/25/89/98/945258998.db2.gz NPKLVRBPNNQMSD-VIFPVBQESA-N -1 3 315.293 -1.094 20 50 DAGDHM O=C(NNC(=O)[C@@H]1CCC(=O)N1)c1ccc(-c2nn[n-]n2)cc1 ZINC000738304527 945259007 /nfs/dbraw/zinc/25/90/07/945259007.db2.gz NPKLVRBPNNQMSD-VIFPVBQESA-N -1 3 315.293 -1.094 20 50 DAGDHM O=C(NNC(=O)[C@H]1CCC(=O)N1)c1ccc(-c2nnn[n-]2)cc1 ZINC000738304526 945259980 /nfs/dbraw/zinc/25/99/80/945259980.db2.gz NPKLVRBPNNQMSD-SECBINFHSA-N -1 3 315.293 -1.094 20 50 DAGDHM O=C(NNC(=O)[C@H]1CCC(=O)N1)c1ccc(-c2nn[n-]n2)cc1 ZINC000738304526 945259985 /nfs/dbraw/zinc/25/99/85/945259985.db2.gz NPKLVRBPNNQMSD-SECBINFHSA-N -1 3 315.293 -1.094 20 50 DAGDHM C[C@@H](NC(N)=O)C(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736135950 944749881 /nfs/dbraw/zinc/74/98/81/944749881.db2.gz ZCCLRCAHNTUQJY-ZCFIWIBFSA-N -1 3 318.297 -1.316 20 50 DAGDHM C[C@@H](NC(N)=O)C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736135950 944749890 /nfs/dbraw/zinc/74/98/90/944749890.db2.gz ZCCLRCAHNTUQJY-ZCFIWIBFSA-N -1 3 318.297 -1.316 20 50 DAGDHM CN(C)CC(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000736765066 944886076 /nfs/dbraw/zinc/88/60/76/944886076.db2.gz TUIJCVQTVMYLOX-UHFFFAOYSA-N -1 3 319.325 -1.046 20 50 DAGDHM CN(C)CC(=O)NNC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000736764348 944886152 /nfs/dbraw/zinc/88/61/52/944886152.db2.gz PMAQVHCRPWNYNX-UHFFFAOYSA-N -1 3 319.325 -1.046 20 50 DAGDHM CN(C)CC(=O)NNC(=O)COc1ccccc1-c1nn[n-]n1 ZINC000736764348 944886159 /nfs/dbraw/zinc/88/61/59/944886159.db2.gz PMAQVHCRPWNYNX-UHFFFAOYSA-N -1 3 319.325 -1.046 20 50 DAGDHM CN(C)S(=O)(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736769777 944886205 /nfs/dbraw/zinc/88/62/05/944886205.db2.gz BOKZZIMBFPTZPJ-UHFFFAOYSA-N -1 3 311.327 -1.093 20 50 DAGDHM CN(C)S(=O)(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736769777 944886215 /nfs/dbraw/zinc/88/62/15/944886215.db2.gz BOKZZIMBFPTZPJ-UHFFFAOYSA-N -1 3 311.327 -1.093 20 50 DAGDHM COC(=O)NCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736937517 944914772 /nfs/dbraw/zinc/91/47/72/944914772.db2.gz WJPRCJZPMWRRSB-UHFFFAOYSA-N -1 3 319.281 -1.016 20 50 DAGDHM COC(=O)NCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736937517 944914782 /nfs/dbraw/zinc/91/47/82/944914782.db2.gz WJPRCJZPMWRRSB-UHFFFAOYSA-N -1 3 319.281 -1.016 20 50 DAGDHM CN1CCN(CCCCNC(=O)NNC(=O)C(=O)[O-])CC1 ZINC001598617447 993915737 /nfs/dbraw/zinc/91/57/37/993915737.db2.gz XULIFRVPLPPOOT-UHFFFAOYSA-N -1 3 301.347 -1.571 20 50 DAGDHM O=C(NNC(=O)[C@@H]1COCCO1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826444774 607745957 /nfs/dbraw/zinc/74/59/57/607745957.db2.gz TXIJWOPTCUISAN-QMMMGPOBSA-N -1 3 307.270 -1.629 20 50 DAGDHM O=C(NNC(=O)[C@@H]1COCCO1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826444774 607745958 /nfs/dbraw/zinc/74/59/58/607745958.db2.gz TXIJWOPTCUISAN-QMMMGPOBSA-N -1 3 307.270 -1.629 20 50 DAGDHM