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(NNc1cccc(-c2nnn[n-]2)c1)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000738138353 945249787 /nfs/dbraw/zinc/24/97/87/945249787.db2.gz ZQKQHFLKFGPRNA-CYBMUJFWSA-N 0 3 386.460 0.994 20 50 GCGDHN O=C(NNc1cccc(-c2nn[n-]n2)c1)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000738138353 945249797 /nfs/dbraw/zinc/24/97/97/945249797.db2.gz ZQKQHFLKFGPRNA-CYBMUJFWSA-N 0 3 386.460 0.994 20 50 GCGDHN CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000735881939 944708808 /nfs/dbraw/zinc/70/88/08/944708808.db2.gz LZEKYIOVAAQPIH-ZDUSSCGKSA-N 0 3 386.460 0.931 20 50 GCGDHN CC(C)[N@H+]1CCC[C@@H](CNC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000735881939 944708818 /nfs/dbraw/zinc/70/88/18/944708818.db2.gz LZEKYIOVAAQPIH-ZDUSSCGKSA-N 0 3 386.460 0.931 20 50 GCGDHN CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000735881939 944708824 /nfs/dbraw/zinc/70/88/24/944708824.db2.gz LZEKYIOVAAQPIH-ZDUSSCGKSA-N 0 3 386.460 0.931 20 50 GCGDHN CC(C)[N@H+]1CCC[C@@H](CNC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000735881939 944708836 /nfs/dbraw/zinc/70/88/36/944708836.db2.gz LZEKYIOVAAQPIH-ZDUSSCGKSA-N 0 3 386.460 0.931 20 50 GCGDHN C[C@H](CNC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)[N@@H+]1CCC[C@H](C)C1 ZINC000736263970 944781634 /nfs/dbraw/zinc/78/16/34/944781634.db2.gz AFPOGEBDCIZKDX-QWHCGFSZSA-N 0 3 386.460 0.931 20 50 GCGDHN C[C@H](CNC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)[N@H+]1CCC[C@H](C)C1 ZINC000736263970 944781641 /nfs/dbraw/zinc/78/16/41/944781641.db2.gz AFPOGEBDCIZKDX-QWHCGFSZSA-N 0 3 386.460 0.931 20 50 GCGDHN C[C@H](CNC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)[N@@H+]1CCC[C@H](C)C1 ZINC000736263970 944781648 /nfs/dbraw/zinc/78/16/48/944781648.db2.gz AFPOGEBDCIZKDX-QWHCGFSZSA-N 0 3 386.460 0.931 20 50 GCGDHN C[C@H](CNC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)[N@H+]1CCC[C@H](C)C1 ZINC000736263970 944781658 /nfs/dbraw/zinc/78/16/58/944781658.db2.gz AFPOGEBDCIZKDX-QWHCGFSZSA-N 0 3 386.460 0.931 20 50 GCGDHN C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736264007 944781823 /nfs/dbraw/zinc/78/18/23/944781823.db2.gz AWJRIHUTUKYFFR-STQMWFEESA-N 0 3 386.460 0.931 20 50 GCGDHN C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736264007 944781828 /nfs/dbraw/zinc/78/18/28/944781828.db2.gz AWJRIHUTUKYFFR-STQMWFEESA-N 0 3 386.460 0.931 20 50 GCGDHN C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736264007 944781830 /nfs/dbraw/zinc/78/18/30/944781830.db2.gz AWJRIHUTUKYFFR-STQMWFEESA-N 0 3 386.460 0.931 20 50 GCGDHN C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736264007 944781836 /nfs/dbraw/zinc/78/18/36/944781836.db2.gz AWJRIHUTUKYFFR-STQMWFEESA-N 0 3 386.460 0.931 20 50 GCGDHN CC[C@H](C)[N@H+](C)CCNC(=O)NNC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000736322926 944802177 /nfs/dbraw/zinc/80/21/77/944802177.db2.gz RHVXUTJAALYAAX-LBPRGKRZSA-N 0 3 390.448 0.306 20 50 GCGDHN CC[C@H](C)[N@@H+](C)CCNC(=O)NNC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000736322926 944802186 /nfs/dbraw/zinc/80/21/86/944802186.db2.gz RHVXUTJAALYAAX-LBPRGKRZSA-N 0 3 390.448 0.306 20 50 GCGDHN CC[C@H](C)[N@H+](C)CCNC(=O)NNC(=O)COc1ccccc1-c1nn[n-]n1 ZINC000736322926 944802195 /nfs/dbraw/zinc/80/21/95/944802195.db2.gz RHVXUTJAALYAAX-LBPRGKRZSA-N 0 3 390.448 0.306 20 50 GCGDHN CC[C@H](C)[N@@H+](C)CCNC(=O)NNC(=O)COc1ccccc1-c1nn[n-]n1 ZINC000736322926 944802206 /nfs/dbraw/zinc/80/22/06/944802206.db2.gz RHVXUTJAALYAAX-LBPRGKRZSA-N 0 3 390.448 0.306 20 50 GCGDHN CCN1CCN(CCNC(=O)C(C#N)=Cc2cc(-c3nn[nH]n3)n(C)c2C)CC1 ZINC000736570581 944846132 /nfs/dbraw/zinc/84/61/32/944846132.db2.gz ZEBNOZQLNKMOIA-LFIBNONCSA-N 0 3 397.487 0.174 20 50 GCGDHN CC[NH+](CC)[C@H]1CCN(CC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000821180790 945649589 /nfs/dbraw/zinc/64/95/89/945649589.db2.gz HIASBJVTMYAKSQ-HNNXBMFYSA-N 0 3 386.460 0.044 20 50 GCGDHN CC[NH+](CC)[C@H]1CCN(CC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000821180790 945649591 /nfs/dbraw/zinc/64/95/91/945649591.db2.gz HIASBJVTMYAKSQ-HNNXBMFYSA-N 0 3 386.460 0.044 20 50 GCGDHN CC[NH+](CC)CCSCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821196984 945650531 /nfs/dbraw/zinc/65/05/31/945650531.db2.gz DNUANYYWGAPEPZ-UHFFFAOYSA-N 0 3 377.474 0.703 20 50 GCGDHN CC[NH+](CC)CCSCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821196984 945650539 /nfs/dbraw/zinc/65/05/39/945650539.db2.gz DNUANYYWGAPEPZ-UHFFFAOYSA-N 0 3 377.474 0.703 20 50 GCGDHN NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)NNc2cccc(-c3nnn[n-]3)c2)C1 ZINC000822860135 946206177 /nfs/dbraw/zinc/20/61/77/946206177.db2.gz NSRBFRAICYUCCF-CYBMUJFWSA-N 0 3 387.448 0.080 20 50 GCGDHN NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)NNc2cccc(-c3nnn[n-]3)c2)C1 ZINC000822860135 946206190 /nfs/dbraw/zinc/20/61/90/946206190.db2.gz NSRBFRAICYUCCF-CYBMUJFWSA-N 0 3 387.448 0.080 20 50 GCGDHN NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)NNc2cccc(-c3nn[n-]n3)c2)C1 ZINC000822860135 946206200 /nfs/dbraw/zinc/20/62/00/946206200.db2.gz NSRBFRAICYUCCF-CYBMUJFWSA-N 0 3 387.448 0.080 20 50 GCGDHN NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)NNc2cccc(-c3nn[n-]n3)c2)C1 ZINC000822860135 946206209 /nfs/dbraw/zinc/20/62/09/946206209.db2.gz NSRBFRAICYUCCF-CYBMUJFWSA-N 0 3 387.448 0.080 20 50 GCGDHN C[N@@H+]1CCCC12CCN(CC(=O)NNC(=O)c1cccc(-c3nnn[n-]3)c1)CC2 ZINC000826033441 947414009 /nfs/dbraw/zinc/41/40/09/947414009.db2.gz DECJXMOIAVYYOO-UHFFFAOYSA-N 0 3 398.471 0.188 20 50 GCGDHN C[N@H+]1CCCC12CCN(CC(=O)NNC(=O)c1cccc(-c3nnn[n-]3)c1)CC2 ZINC000826033441 947414018 /nfs/dbraw/zinc/41/40/18/947414018.db2.gz DECJXMOIAVYYOO-UHFFFAOYSA-N 0 3 398.471 0.188 20 50 GCGDHN C[N@@H+]1CCCC12CCN(CC(=O)NNC(=O)c1cccc(-c3nn[n-]n3)c1)CC2 ZINC000826033441 947414029 /nfs/dbraw/zinc/41/40/29/947414029.db2.gz DECJXMOIAVYYOO-UHFFFAOYSA-N 0 3 398.471 0.188 20 50 GCGDHN C[N@H+]1CCCC12CCN(CC(=O)NNC(=O)c1cccc(-c3nn[n-]n3)c1)CC2 ZINC000826033441 947414036 /nfs/dbraw/zinc/41/40/36/947414036.db2.gz DECJXMOIAVYYOO-UHFFFAOYSA-N 0 3 398.471 0.188 20 50 GCGDHN CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)NNc2cccc(-c3nnn[n-]3)c2)CC1=O ZINC000825460516 607716980 /nfs/dbraw/zinc/71/69/80/607716980.db2.gz ZOMJPVKEYMNQDL-ZBFHGGJFSA-N 0 3 398.471 0.643 20 50 GCGDHN CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)NNc2cccc(-c3nnn[n-]3)c2)CC1=O ZINC000825460516 607716982 /nfs/dbraw/zinc/71/69/82/607716982.db2.gz ZOMJPVKEYMNQDL-ZBFHGGJFSA-N 0 3 398.471 0.643 20 50 GCGDHN CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)NNc2cccc(-c3nn[n-]n3)c2)CC1=O ZINC000825460516 607716983 /nfs/dbraw/zinc/71/69/83/607716983.db2.gz ZOMJPVKEYMNQDL-ZBFHGGJFSA-N 0 3 398.471 0.643 20 50 GCGDHN CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)NNc2cccc(-c3nn[n-]n3)c2)CC1=O ZINC000825460516 607716985 /nfs/dbraw/zinc/71/69/85/607716985.db2.gz ZOMJPVKEYMNQDL-ZBFHGGJFSA-N 0 3 398.471 0.643 20 50 GCGDHN CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NNc2cccc(-c3nnn[n-]3)c2)CC1=O ZINC000825460513 607717340 /nfs/dbraw/zinc/71/73/40/607717340.db2.gz ZOMJPVKEYMNQDL-GDBMZVCRSA-N 0 3 398.471 0.643 20 50 GCGDHN CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NNc2cccc(-c3nnn[n-]3)c2)CC1=O ZINC000825460513 607717342 /nfs/dbraw/zinc/71/73/42/607717342.db2.gz ZOMJPVKEYMNQDL-GDBMZVCRSA-N 0 3 398.471 0.643 20 50 GCGDHN CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NNc2cccc(-c3nn[n-]n3)c2)CC1=O ZINC000825460513 607717344 /nfs/dbraw/zinc/71/73/44/607717344.db2.gz ZOMJPVKEYMNQDL-GDBMZVCRSA-N 0 3 398.471 0.643 20 50 GCGDHN CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NNc2cccc(-c3nn[n-]n3)c2)CC1=O ZINC000825460513 607717346 /nfs/dbraw/zinc/71/73/46/607717346.db2.gz ZOMJPVKEYMNQDL-GDBMZVCRSA-N 0 3 398.471 0.643 20 50 GCGDHN CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824261126 607757459 /nfs/dbraw/zinc/75/74/59/607757459.db2.gz BDZHEKUEDUPPMC-OAHLLOKOSA-N 0 3 386.460 0.931 20 50 GCGDHN CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824261126 607757460 /nfs/dbraw/zinc/75/74/60/607757460.db2.gz BDZHEKUEDUPPMC-OAHLLOKOSA-N 0 3 386.460 0.931 20 50 GCGDHN CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824261126 607757461 /nfs/dbraw/zinc/75/74/61/607757461.db2.gz BDZHEKUEDUPPMC-OAHLLOKOSA-N 0 3 386.460 0.931 20 50 GCGDHN CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824261126 607757462 /nfs/dbraw/zinc/75/74/62/607757462.db2.gz BDZHEKUEDUPPMC-OAHLLOKOSA-N 0 3 386.460 0.931 20 50 GCGDHN O=C(NNC(=O)c1cccc(-c2nnn[n-]2)c1)NC1CC[NH+](CC2CC2)CC1 ZINC000738137228 945241634 /nfs/dbraw/zinc/24/16/34/945241634.db2.gz SGGMOHRXTPFWOS-UHFFFAOYSA-N 0 3 384.444 0.685 20 50 GCGDHN O=C(NNC(=O)c1cccc(-c2nn[n-]n2)c1)NC1CC[NH+](CC2CC2)CC1 ZINC000738137228 945241639 /nfs/dbraw/zinc/24/16/39/945241639.db2.gz SGGMOHRXTPFWOS-UHFFFAOYSA-N 0 3 384.444 0.685 20 50 GCGDHN C[C@H](CNC(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1)[N@H+](C)C1CC1 ZINC000736017438 944732669 /nfs/dbraw/zinc/73/26/69/944732669.db2.gz NNTYYXDDURWAJJ-LLVKDONJSA-N 0 3 388.432 0.059 20 50 GCGDHN C[C@H](CNC(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1)[N@@H+](C)C1CC1 ZINC000736017438 944732679 /nfs/dbraw/zinc/73/26/79/944732679.db2.gz NNTYYXDDURWAJJ-LLVKDONJSA-N 0 3 388.432 0.059 20 50 GCGDHN C[C@H](CNC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)C[NH+]1CCCCC1 ZINC000736017119 944733732 /nfs/dbraw/zinc/73/37/32/944733732.db2.gz IIOQVMZHYZMMSF-CYBMUJFWSA-N 0 3 386.460 0.933 20 50 GCGDHN C[C@H](CNC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)C[NH+]1CCCCC1 ZINC000736017119 944733737 /nfs/dbraw/zinc/73/37/37/944733737.db2.gz IIOQVMZHYZMMSF-CYBMUJFWSA-N 0 3 386.460 0.933 20 50 GCGDHN CC[C@@H](C)[N@H+](C)CCNC(=O)NNC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000736322925 944801167 /nfs/dbraw/zinc/80/11/67/944801167.db2.gz RHVXUTJAALYAAX-GFCCVEGCSA-N 0 3 390.448 0.306 20 50 GCGDHN CC[C@@H](C)[N@@H+](C)CCNC(=O)NNC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000736322925 944801170 /nfs/dbraw/zinc/80/11/70/944801170.db2.gz RHVXUTJAALYAAX-GFCCVEGCSA-N 0 3 390.448 0.306 20 50 GCGDHN CC[C@@H](C)[N@H+](C)CCNC(=O)NNC(=O)COc1ccccc1-c1nn[n-]n1 ZINC000736322925 944801181 /nfs/dbraw/zinc/80/11/81/944801181.db2.gz RHVXUTJAALYAAX-GFCCVEGCSA-N 0 3 390.448 0.306 20 50 GCGDHN CC[C@@H](C)[N@@H+](C)CCNC(=O)NNC(=O)COc1ccccc1-c1nn[n-]n1 ZINC000736322925 944801188 /nfs/dbraw/zinc/80/11/88/944801188.db2.gz RHVXUTJAALYAAX-GFCCVEGCSA-N 0 3 390.448 0.306 20 50 GCGDHN C[N@@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736859949 944900131 /nfs/dbraw/zinc/90/01/31/944900131.db2.gz KNUWJVKKAIRBIQ-LSDHHAIUSA-N 0 3 384.444 0.780 20 50 GCGDHN C[N@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736859949 944900138 /nfs/dbraw/zinc/90/01/38/944900138.db2.gz KNUWJVKKAIRBIQ-LSDHHAIUSA-N 0 3 384.444 0.780 20 50 GCGDHN C[N@@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736859949 944900148 /nfs/dbraw/zinc/90/01/48/944900148.db2.gz KNUWJVKKAIRBIQ-LSDHHAIUSA-N 0 3 384.444 0.780 20 50 GCGDHN C[N@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736859949 944900166 /nfs/dbraw/zinc/90/01/66/944900166.db2.gz KNUWJVKKAIRBIQ-LSDHHAIUSA-N 0 3 384.444 0.780 20 50 GCGDHN C[N@@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736859908 944901081 /nfs/dbraw/zinc/90/10/81/944901081.db2.gz KAVAIXHOKUIDBB-GJZGRUSLSA-N 0 3 384.444 0.780 20 50 GCGDHN C[N@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736859908 944901088 /nfs/dbraw/zinc/90/10/88/944901088.db2.gz KAVAIXHOKUIDBB-GJZGRUSLSA-N 0 3 384.444 0.780 20 50 GCGDHN C[N@@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736859908 944901098 /nfs/dbraw/zinc/90/10/98/944901098.db2.gz KAVAIXHOKUIDBB-GJZGRUSLSA-N 0 3 384.444 0.780 20 50 GCGDHN C[N@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736859908 944901105 /nfs/dbraw/zinc/90/11/05/944901105.db2.gz KAVAIXHOKUIDBB-GJZGRUSLSA-N 0 3 384.444 0.780 20 50 GCGDHN CCC[N@H+](C)C[C@H]1CCN(C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000821087489 945631500 /nfs/dbraw/zinc/63/15/00/945631500.db2.gz BTPMIPJHSFVWPY-CYBMUJFWSA-N 0 3 386.460 0.885 20 50 GCGDHN CCC[N@@H+](C)C[C@H]1CCN(C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000821087489 945631505 /nfs/dbraw/zinc/63/15/05/945631505.db2.gz BTPMIPJHSFVWPY-CYBMUJFWSA-N 0 3 386.460 0.885 20 50 GCGDHN CCC[N@H+](C)C[C@H]1CCN(C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000821087489 945631509 /nfs/dbraw/zinc/63/15/09/945631509.db2.gz BTPMIPJHSFVWPY-CYBMUJFWSA-N 0 3 386.460 0.885 20 50 GCGDHN CCC[N@@H+](C)C[C@H]1CCN(C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000821087489 945631512 /nfs/dbraw/zinc/63/15/12/945631512.db2.gz BTPMIPJHSFVWPY-CYBMUJFWSA-N 0 3 386.460 0.885 20 50 GCGDHN C[N@@H+]1CCC[C@@H]2CN(CC(=O)NNC(=O)c3ccc(-c4nnn[n-]4)cc3)CC[C@@H]21 ZINC000821625725 945755224 /nfs/dbraw/zinc/75/52/24/945755224.db2.gz USYCBISTRHDNPX-CVEARBPZSA-N 0 3 398.471 0.044 20 50 GCGDHN C[N@H+]1CCC[C@@H]2CN(CC(=O)NNC(=O)c3ccc(-c4nnn[n-]4)cc3)CC[C@@H]21 ZINC000821625725 945755230 /nfs/dbraw/zinc/75/52/30/945755230.db2.gz USYCBISTRHDNPX-CVEARBPZSA-N 0 3 398.471 0.044 20 50 GCGDHN 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ZOMJPVKEYMNQDL-GOEBONIOSA-N 0 3 398.471 0.643 20 50 GCGDHN CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NNc2cccc(-c3nn[n-]n3)c2)CC1=O ZINC000825460514 607716867 /nfs/dbraw/zinc/71/68/67/607716867.db2.gz ZOMJPVKEYMNQDL-GOEBONIOSA-N 0 3 398.471 0.643 20 50 GCGDHN CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NNc2cccc(-c3nn[n-]n3)c2)CC1=O ZINC000825460514 607716868 /nfs/dbraw/zinc/71/68/68/607716868.db2.gz ZOMJPVKEYMNQDL-GOEBONIOSA-N 0 3 398.471 0.643 20 50 GCGDHN C[N@@H+]1CCC[C@H]1[C@H]1CCCN1CC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826034932 607922375 /nfs/dbraw/zinc/92/23/75/607922375.db2.gz ZIGFNZOLGQNIAB-JKSUJKDBSA-N 0 3 398.471 0.186 20 50 GCGDHN C[N@H+]1CCC[C@H]1[C@H]1CCCN1CC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826034932 607922376 /nfs/dbraw/zinc/92/23/76/607922376.db2.gz ZIGFNZOLGQNIAB-JKSUJKDBSA-N 0 3 398.471 0.186 20 50 GCGDHN Cc1c(C=C(C#N)C(=O)N2CCC([N@H+](C)CCO)CC2)cc(-c2nn[n-]n2)n1C ZINC000826235634 609393079 /nfs/dbraw/zinc/39/30/79/609393079.db2.gz NSGGKLLKNFAWNE-XNTDXEJSSA-N 0 3 398.471 0.336 20 50 GCGDHN Cc1c(C=C(C#N)C(=O)N2CCC([N@@H+](C)CCO)CC2)cc(-c2nn[n-]n2)n1C ZINC000826235634 609393081 /nfs/dbraw/zinc/39/30/81/609393081.db2.gz NSGGKLLKNFAWNE-XNTDXEJSSA-N 0 3 398.471 0.336 20 50 GCGDHN C[NH+](C)CC(C)(C)CNC(=S)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736765693 944886278 /nfs/dbraw/zinc/88/62/78/944886278.db2.gz ZQNPLFAUSCKTDY-UHFFFAOYSA-N 0 3 376.490 0.563 20 50 GCGDHN C[NH+](C)CC(C)(C)CNC(=S)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736765693 944886283 /nfs/dbraw/zinc/88/62/83/944886283.db2.gz ZQNPLFAUSCKTDY-UHFFFAOYSA-N 0 3 376.490 0.563 20 50 GCGDHN C[N@@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736859910 944900025 /nfs/dbraw/zinc/90/00/25/944900025.db2.gz KAVAIXHOKUIDBB-LSDHHAIUSA-N 0 3 384.444 0.780 20 50 GCGDHN C[N@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736859910 944900037 /nfs/dbraw/zinc/90/00/37/944900037.db2.gz KAVAIXHOKUIDBB-LSDHHAIUSA-N 0 3 384.444 0.780 20 50 GCGDHN C[N@@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736859910 944900052 /nfs/dbraw/zinc/90/00/52/944900052.db2.gz KAVAIXHOKUIDBB-LSDHHAIUSA-N 0 3 384.444 0.780 20 50 GCGDHN C[N@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736859910 944900066 /nfs/dbraw/zinc/90/00/66/944900066.db2.gz KAVAIXHOKUIDBB-LSDHHAIUSA-N 0 3 384.444 0.780 20 50 GCGDHN C[C@H]1C[C@H](NC(=O)NNC(=O)COc2ccc(-c3nn[n-]n3)cc2)CC[N@@H+]1C ZINC000820657712 945510857 /nfs/dbraw/zinc/51/08/57/945510857.db2.gz MIWUWVLHKVLGSA-WCQYABFASA-N 0 3 388.432 0.059 20 50 GCGDHN C[C@H]1C[C@H](NC(=O)NNC(=O)COc2ccc(-c3nn[n-]n3)cc2)CC[N@H+]1C ZINC000820657712 945510867 /nfs/dbraw/zinc/51/08/67/945510867.db2.gz MIWUWVLHKVLGSA-WCQYABFASA-N 0 3 388.432 0.059 20 50 GCGDHN C[N@@H+]1CCC[C@H]2CN(CC(=O)NNC(=O)c3cccc(-c4nnn[n-]4)c3)CC[C@H]21 ZINC000821625072 945752792 /nfs/dbraw/zinc/75/27/92/945752792.db2.gz FBRYCWQFZDMJFJ-JKSUJKDBSA-N 0 3 398.471 0.044 20 50 GCGDHN C[N@H+]1CCC[C@H]2CN(CC(=O)NNC(=O)c3cccc(-c4nnn[n-]4)c3)CC[C@H]21 ZINC000821625072 945752802 /nfs/dbraw/zinc/75/28/02/945752802.db2.gz FBRYCWQFZDMJFJ-JKSUJKDBSA-N 0 3 398.471 0.044 20 50 GCGDHN C[N@@H+]1CCC[C@H]2CN(CC(=O)NNC(=O)c3cccc(-c4nn[n-]n4)c3)CC[C@H]21 ZINC000821625072 945752810 /nfs/dbraw/zinc/75/28/10/945752810.db2.gz FBRYCWQFZDMJFJ-JKSUJKDBSA-N 0 3 398.471 0.044 20 50 GCGDHN C[N@H+]1CCC[C@H]2CN(CC(=O)NNC(=O)c3cccc(-c4nn[n-]n4)c3)CC[C@H]21 ZINC000821625072 945752820 /nfs/dbraw/zinc/75/28/20/945752820.db2.gz FBRYCWQFZDMJFJ-JKSUJKDBSA-N 0 3 398.471 0.044 20 50 GCGDHN C[NH+](C)CC1CCC(NC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000825859574 607537618 /nfs/dbraw/zinc/53/76/18/607537618.db2.gz HAROJXUWVMSGOA-UHFFFAOYSA-N 0 3 386.460 0.931 20 50 GCGDHN C[NH+](C)CC1CCC(NC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000825859574 607537619 /nfs/dbraw/zinc/53/76/19/607537619.db2.gz HAROJXUWVMSGOA-UHFFFAOYSA-N 0 3 386.460 0.931 20 50 GCGDHN C[NH+]1CCC([C@@H]2CCN(C(=O)NNC(=O)c3cccc(-c4nnn[n-]4)c3)C2)CC1 ZINC000826021912 607912120 /nfs/dbraw/zinc/91/21/20/607912120.db2.gz DPURMBYVXYOYTF-MRXNPFEDSA-N 0 3 398.471 0.885 20 50 GCGDHN C[NH+]1CCC([C@@H]2CCN(C(=O)NNC(=O)c3cccc(-c4nn[n-]n4)c3)C2)CC1 ZINC000826021912 607912121 /nfs/dbraw/zinc/91/21/21/607912121.db2.gz DPURMBYVXYOYTF-MRXNPFEDSA-N 0 3 398.471 0.885 20 50 GCGDHN Cc1nccn1CCCN(C)CC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000826331142 608454042 /nfs/dbraw/zinc/45/40/42/608454042.db2.gz WQHZMGJIPSGLKW-UHFFFAOYSA-N 0 3 397.443 0.155 20 50 GCGDHN C[N@H+](CCCI)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000825918545 609295177 /nfs/dbraw/zinc/29/51/77/609295177.db2.gz GOAWWMKHDWOBCR-UHFFFAOYSA-N 0 3 390.233 0.862 20 50 GCGDHN C[N@@H+](CCCI)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000825918545 609295178 /nfs/dbraw/zinc/29/51/78/609295178.db2.gz GOAWWMKHDWOBCR-UHFFFAOYSA-N 0 3 390.233 0.862 20 50 GCGDHN CC(C)C[NH+]1CCC(NC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000735831467 944704438 /nfs/dbraw/zinc/70/44/38/944704438.db2.gz SCYVVLYRYZQNOR-UHFFFAOYSA-N 0 3 386.460 0.931 20 50 GCGDHN CC(C)C[NH+]1CCC(NC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000735831467 944704445 /nfs/dbraw/zinc/70/44/45/944704445.db2.gz SCYVVLYRYZQNOR-UHFFFAOYSA-N 0 3 386.460 0.931 20 50 GCGDHN Cc1c(C=C(C#N)C(=O)NCCC[NH+]2CCC(O)CC2)cc(-c2nn[n-]n2)n1C ZINC000737212459 944993698 /nfs/dbraw/zinc/99/36/98/944993698.db2.gz KCCDBRDFWXGGAU-XNTDXEJSSA-N 0 3 398.471 0.384 20 50 GCGDHN CCC[N@H+](C)C[C@@H]1CCN(C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000821087491 945630266 /nfs/dbraw/zinc/63/02/66/945630266.db2.gz BTPMIPJHSFVWPY-ZDUSSCGKSA-N 0 3 386.460 0.885 20 50 GCGDHN CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000821087491 945630270 /nfs/dbraw/zinc/63/02/70/945630270.db2.gz BTPMIPJHSFVWPY-ZDUSSCGKSA-N 0 3 386.460 0.885 20 50 GCGDHN CCC[N@H+](C)C[C@@H]1CCN(C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000821087491 945630273 /nfs/dbraw/zinc/63/02/73/945630273.db2.gz BTPMIPJHSFVWPY-ZDUSSCGKSA-N 0 3 386.460 0.885 20 50 GCGDHN CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000821087491 945630276 /nfs/dbraw/zinc/63/02/76/945630276.db2.gz BTPMIPJHSFVWPY-ZDUSSCGKSA-N 0 3 386.460 0.885 20 50 GCGDHN NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)NNc2cccc(-c3nnn[n-]3)c2)C1 ZINC000822860136 946204943 /nfs/dbraw/zinc/20/49/43/946204943.db2.gz NSRBFRAICYUCCF-ZDUSSCGKSA-N 0 3 387.448 0.080 20 50 GCGDHN NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)NNc2cccc(-c3nnn[n-]3)c2)C1 ZINC000822860136 946204956 /nfs/dbraw/zinc/20/49/56/946204956.db2.gz NSRBFRAICYUCCF-ZDUSSCGKSA-N 0 3 387.448 0.080 20 50 GCGDHN NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)NNc2cccc(-c3nn[n-]n3)c2)C1 ZINC000822860136 946204964 /nfs/dbraw/zinc/20/49/64/946204964.db2.gz NSRBFRAICYUCCF-ZDUSSCGKSA-N 0 3 387.448 0.080 20 50 GCGDHN NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)NNc2cccc(-c3nn[n-]n3)c2)C1 ZINC000822860136 946204974 /nfs/dbraw/zinc/20/49/74/946204974.db2.gz NSRBFRAICYUCCF-ZDUSSCGKSA-N 0 3 387.448 0.080 20 50 GCGDHN O=C(CN1CC[C@@H](C[NH+]2CCCC2)C1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000822993396 946252249 /nfs/dbraw/zinc/25/22/49/946252249.db2.gz SFKWRTUCFMFTJB-AWEZNQCLSA-N 0 3 398.471 0.045 20 50 GCGDHN O=C(CN1CC[C@@H](C[NH+]2CCCC2)C1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000822993396 946252260 /nfs/dbraw/zinc/25/22/60/946252260.db2.gz SFKWRTUCFMFTJB-AWEZNQCLSA-N 0 3 398.471 0.045 20 50 GCGDHN O=C(CN1CCC[C@H]([NH+]2CCCC2)C1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000822996173 946253726 /nfs/dbraw/zinc/25/37/26/946253726.db2.gz AITXNTVRPAHGRF-INIZCTEOSA-N 0 3 398.471 0.188 20 50 GCGDHN O=C(CN1CCC[C@H]([NH+]2CCCC2)C1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000822996173 946253732 /nfs/dbraw/zinc/25/37/32/946253732.db2.gz AITXNTVRPAHGRF-INIZCTEOSA-N 0 3 398.471 0.188 20 50 GCGDHN O=C(NNc1cccc(-c2nnn[n-]2)c1)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000823281123 607212503 /nfs/dbraw/zinc/21/25/03/607212503.db2.gz MMNYSDQSGWHTHT-HZPDHXFCSA-N 0 3 386.460 0.871 20 50 GCGDHN O=C(NNc1cccc(-c2nn[n-]n2)c1)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000823281123 607212504 /nfs/dbraw/zinc/21/25/04/607212504.db2.gz MMNYSDQSGWHTHT-HZPDHXFCSA-N 0 3 386.460 0.871 20 50 GCGDHN O=C(NNC(=O)N1CC[C@H]([NH+]2CCCCC2)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000738135697 945227463 /nfs/dbraw/zinc/22/74/63/945227463.db2.gz AZPMEXVQTPNYOV-HNNXBMFYSA-N 0 3 384.444 0.781 20 50 GCGDHN O=C(NNC(=O)N1CCN(c2cc[nH+]cc2)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000738137738 945248463 /nfs/dbraw/zinc/24/84/63/945248463.db2.gz ZGJJPVGBZLDJMT-UHFFFAOYSA-N 0 3 393.411 0.438 20 50 GCGDHN CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820025867 945333544 /nfs/dbraw/zinc/33/35/44/945333544.db2.gz DVRKCLJIBKXBCM-HNNXBMFYSA-N 0 3 387.444 0.421 20 50 GCGDHN CCCC[N@H+](C)CCNC(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000736454437 944825137 /nfs/dbraw/zinc/82/51/37/944825137.db2.gz ZDCYSPNGJDNYDW-UHFFFAOYSA-N 0 3 390.448 0.308 20 50 GCGDHN CCCC[N@@H+](C)CCNC(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000736454437 944825143 /nfs/dbraw/zinc/82/51/43/944825143.db2.gz ZDCYSPNGJDNYDW-UHFFFAOYSA-N 0 3 390.448 0.308 20 50 GCGDHN Cc1c(C=C(C#N)C(=O)NCCC[NH+]2CCC(O)CC2)cc(-c2nn[n-]n2)n1C ZINC000737212458 944993622 /nfs/dbraw/zinc/99/36/22/944993622.db2.gz KCCDBRDFWXGGAU-GDNBJRDFSA-N 0 3 398.471 0.384 20 50 GCGDHN C[C@@H]1C[C@H](NC(=O)NNC(=O)COc2ccc(-c3nn[n-]n3)cc2)CC[N@@H+]1C ZINC000820657710 945512086 /nfs/dbraw/zinc/51/20/86/945512086.db2.gz MIWUWVLHKVLGSA-DGCLKSJQSA-N 0 3 388.432 0.059 20 50 GCGDHN C[C@@H]1C[C@H](NC(=O)NNC(=O)COc2ccc(-c3nn[n-]n3)cc2)CC[N@H+]1C ZINC000820657710 945512091 /nfs/dbraw/zinc/51/20/91/945512091.db2.gz MIWUWVLHKVLGSA-DGCLKSJQSA-N 0 3 388.432 0.059 20 50 GCGDHN CC[NH+](CC)[C@H]1CCN(CC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000821180596 945649596 /nfs/dbraw/zinc/64/95/96/945649596.db2.gz FTUDVBXQEYNYIP-HNNXBMFYSA-N 0 3 386.460 0.044 20 50 GCGDHN CC[NH+](CC)[C@H]1CCN(CC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000821180596 945649598 /nfs/dbraw/zinc/64/95/98/945649598.db2.gz FTUDVBXQEYNYIP-HNNXBMFYSA-N 0 3 386.460 0.044 20 50 GCGDHN CC[NH+](CC)CCSCC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821199121 945653603 /nfs/dbraw/zinc/65/36/03/945653603.db2.gz ZGVXTEMWCNMSDH-UHFFFAOYSA-N 0 3 377.474 0.703 20 50 GCGDHN CC[NH+](CC)CCSCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821199121 945653608 /nfs/dbraw/zinc/65/36/08/945653608.db2.gz ZGVXTEMWCNMSDH-UHFFFAOYSA-N 0 3 377.474 0.703 20 50 GCGDHN COC1CCN(CCNC(=O)C(C#N)=Cc2cc(-c3nn[nH]n3)n(C)c2C)CC1 ZINC000821679585 945798891 /nfs/dbraw/zinc/79/88/91/945798891.db2.gz DDKHBVBGJWOJJZ-XNTDXEJSSA-N 0 3 398.471 0.648 20 50 GCGDHN O=C(CN1CC[C@@H]([NH+]2CCCCC2)C1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000822991439 946248013 /nfs/dbraw/zinc/24/80/13/946248013.db2.gz CYNKOHWKSLXILY-MRXNPFEDSA-N 0 3 398.471 0.188 20 50 GCGDHN O=C(CN1CC[C@@H](C[NH+]2CCCC2)C1)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000822991454 946249061 /nfs/dbraw/zinc/24/90/61/946249061.db2.gz DSLAVTJETRJPNK-AWEZNQCLSA-N 0 3 398.471 0.045 20 50 GCGDHN O=C(CN1CC[C@@H](C[NH+]2CCCC2)C1)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000822991454 946249072 /nfs/dbraw/zinc/24/90/72/946249072.db2.gz DSLAVTJETRJPNK-AWEZNQCLSA-N 0 3 398.471 0.045 20 50 GCGDHN C[C@H]1C[C@@H](N(C)CC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)CC[N@@H+]1C ZINC000824884094 946972398 /nfs/dbraw/zinc/97/23/98/946972398.db2.gz LJEQXRFKWFVQPA-WFASDCNBSA-N 0 3 386.460 0.042 20 50 GCGDHN C[C@H]1C[C@@H](N(C)CC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)CC[N@H+]1C ZINC000824884094 946972407 /nfs/dbraw/zinc/97/24/07/946972407.db2.gz LJEQXRFKWFVQPA-WFASDCNBSA-N 0 3 386.460 0.042 20 50 GCGDHN C[C@H]1C[C@@H](N(C)CC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)CC[N@@H+]1C ZINC000824884094 946972416 /nfs/dbraw/zinc/97/24/16/946972416.db2.gz LJEQXRFKWFVQPA-WFASDCNBSA-N 0 3 386.460 0.042 20 50 GCGDHN C[C@H]1C[C@@H](N(C)CC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)CC[N@H+]1C ZINC000824884094 946972423 /nfs/dbraw/zinc/97/24/23/946972423.db2.gz LJEQXRFKWFVQPA-WFASDCNBSA-N 0 3 386.460 0.042 20 50 GCGDHN C[NH+]1CCC([C@H]2CCN(C(=O)NNC(=O)c3cccc(-c4nnn[n-]4)c3)C2)CC1 ZINC000826021911 947407279 /nfs/dbraw/zinc/40/72/79/947407279.db2.gz DPURMBYVXYOYTF-INIZCTEOSA-N 0 3 398.471 0.885 20 50 GCGDHN C[NH+]1CCC([C@H]2CCN(C(=O)NNC(=O)c3cccc(-c4nn[n-]n4)c3)C2)CC1 ZINC000826021911 947407282 /nfs/dbraw/zinc/40/72/82/947407282.db2.gz DPURMBYVXYOYTF-INIZCTEOSA-N 0 3 398.471 0.885 20 50 GCGDHN O=C(NNc1cccc(-c2nn[n-]n2)c1)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000826447533 607717607 /nfs/dbraw/zinc/71/76/07/607717607.db2.gz KIQZWCHROHTQQE-IBGZPJMESA-N 0 3 379.424 0.947 20 50 GCGDHN O=C(NNc1cccc(-c2nn[n-]n2)c1)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000826447533 607717608 /nfs/dbraw/zinc/71/76/08/607717608.db2.gz KIQZWCHROHTQQE-IBGZPJMESA-N 0 3 379.424 0.947 20 50 GCGDHN O=C(NNc1cccc(-c2nnn[n-]2)c1)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000823281119 607212291 /nfs/dbraw/zinc/21/22/91/607212291.db2.gz MMNYSDQSGWHTHT-CVEARBPZSA-N 0 3 386.460 0.871 20 50 GCGDHN 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/nfs/dbraw/zinc/97/30/58/946973058.db2.gz LJEQXRFKWFVQPA-DOMZBBRYSA-N 0 3 386.460 0.042 20 50 GCGDHN C[C@@H]1C[C@@H](N(C)CC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)CC[N@H+]1C ZINC000824884089 946973066 /nfs/dbraw/zinc/97/30/66/946973066.db2.gz LJEQXRFKWFVQPA-DOMZBBRYSA-N 0 3 386.460 0.042 20 50 GCGDHN C[C@@H]1C[C@@H](N(C)CC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)CC[N@@H+]1C ZINC000824884089 946973075 /nfs/dbraw/zinc/97/30/75/946973075.db2.gz LJEQXRFKWFVQPA-DOMZBBRYSA-N 0 3 386.460 0.042 20 50 GCGDHN C[C@@H]1C[C@@H](N(C)CC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)CC[N@H+]1C ZINC000824884089 946973085 /nfs/dbraw/zinc/97/30/85/946973085.db2.gz LJEQXRFKWFVQPA-DOMZBBRYSA-N 0 3 386.460 0.042 20 50 GCGDHN CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000824261406 607757569 /nfs/dbraw/zinc/75/75/69/607757569.db2.gz JPCGKSXYMCODLS-OAHLLOKOSA-N 0 3 386.460 0.931 20 50 GCGDHN CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000824261406 607757570 /nfs/dbraw/zinc/75/75/70/607757570.db2.gz JPCGKSXYMCODLS-OAHLLOKOSA-N 0 3 386.460 0.931 20 50 GCGDHN CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000824261406 607757571 /nfs/dbraw/zinc/75/75/71/607757571.db2.gz JPCGKSXYMCODLS-OAHLLOKOSA-N 0 3 386.460 0.931 20 50 GCGDHN CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000824261406 607757572 /nfs/dbraw/zinc/75/75/72/607757572.db2.gz JPCGKSXYMCODLS-OAHLLOKOSA-N 0 3 386.460 0.931 20 50 GCGDHN C[N@@H+]1CCC[C@H]1[C@@H]1CCCN1CC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826034930 607922660 /nfs/dbraw/zinc/92/26/60/607922660.db2.gz ZIGFNZOLGQNIAB-HOTGVXAUSA-N 0 3 398.471 0.186 20 50 GCGDHN C[N@H+]1CCC[C@H]1[C@@H]1CCCN1CC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826034930 607922661 /nfs/dbraw/zinc/92/26/61/607922661.db2.gz ZIGFNZOLGQNIAB-HOTGVXAUSA-N 0 3 398.471 0.186 20 50 GCGDHN O=C(CN1CCC[C@H]1C[NH+]1CCCC1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826410566 607922847 /nfs/dbraw/zinc/92/28/47/607922847.db2.gz QTFGXOYKHAITKI-INIZCTEOSA-N 0 3 398.471 0.188 20 50 GCGDHN O=C(CN1CCC[C@H]1C[NH+]1CCCC1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826410566 607922848 /nfs/dbraw/zinc/92/28/48/607922848.db2.gz QTFGXOYKHAITKI-INIZCTEOSA-N 0 3 398.471 0.188 20 50 GCGDHN O=C(CN1CCC[C@@H]1C[NH+]1CCCC1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826410567 607922951 /nfs/dbraw/zinc/92/29/51/607922951.db2.gz QTFGXOYKHAITKI-MRXNPFEDSA-N 0 3 398.471 0.188 20 50 GCGDHN O=C(CN1CCC[C@@H]1C[NH+]1CCCC1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826410567 607922952 /nfs/dbraw/zinc/92/29/52/607922952.db2.gz QTFGXOYKHAITKI-MRXNPFEDSA-N 0 3 398.471 0.188 20 50 GCGDHN CC[NH+]1CCC(N(C)CC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000825450554 607924484 /nfs/dbraw/zinc/92/44/84/607924484.db2.gz ATUHYCNMGLKFOV-UHFFFAOYSA-N 0 3 386.460 0.044 20 50 GCGDHN CC[NH+]1CCC(N(C)CC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000825450554 607924485 /nfs/dbraw/zinc/92/44/85/607924485.db2.gz ATUHYCNMGLKFOV-UHFFFAOYSA-N 0 3 386.460 0.044 20 50 GCGDHN