smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCC1(CC)CC[N@@H+](CC(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000820958490 945598984 /nfs/dbraw/zinc/59/89/84/945598984.db2.gz WCFIDRNUCVPFJQ-UHFFFAOYSA-N 1 1 371.445 1.140 20 50 FDGDMO CC[N@H+]1CCC(=NNC(=O)COc2ccc(-c3nn[nH]n3)cc2)[C@@H](C)C1 ZINC000736564433 944843682 /nfs/dbraw/zinc/84/36/82/944843682.db2.gz BFYCHDWJFBHTRL-LBPRGKRZSA-N 1 1 357.418 1.079 20 50 FDGDMO Cc1c(C=C(C#N)C(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc(-c2nn[nH]n2)n1C ZINC000737212140 944990911 /nfs/dbraw/zinc/99/09/11/944990911.db2.gz HWYUZYZXGUSQDL-MWMICKBXSA-N 1 1 368.445 1.020 20 50 FDGDMO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)NNc2cccc(-c3nn[nH]n3)c2)C1 ZINC000824261157 607514449 /nfs/dbraw/zinc/51/44/49/607514449.db2.gz CNUPDFZMTHJWHT-AWEZNQCLSA-N 1 1 372.477 1.861 20 50 FDGDMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)NNc1cccc(-c2nn[nH]n2)c1 ZINC000824261113 607782037 /nfs/dbraw/zinc/78/20/37/607782037.db2.gz AQDBSJKEVAPNBT-OAHLLOKOSA-N 1 1 358.450 1.613 20 50 FDGDMO C[N@H+]1CCC[C@H]1CNC(=O)NNC(=O)c1ccccc1Br ZINC000139237914 671849123 /nfs/dbraw/zinc/84/91/23/671849123.db2.gz UMEYYMVWXQZDAG-JTQLQIEISA-N 1 1 355.236 1.487 20 50 FDGDMO O=C(CCl)Nc1cccnc1N1C[C@@H]2C[N@H+](CC3CC3)C[C@H](C1)O2 ZINC001164967506 722074939 /nfs/dbraw/zinc/07/49/39/722074939.db2.gz SKITYNWDEXUVOY-OKILXGFUSA-N 1 1 350.850 1.558 20 50 FDGDMO CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)c2cccc(C[NH+](C)C)c2)o1 ZINC000735939135 944720613 /nfs/dbraw/zinc/72/06/13/944720613.db2.gz KBUABFYKULKCMW-UHFFFAOYSA-N 1 1 370.417 1.797 20 50 FDGDMO C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NNc1cccc(C(=O)[O-])c1F ZINC001599836199 988746789 /nfs/dbraw/zinc/74/67/89/988746789.db2.gz UYEZYJUEYJIIGQ-LBPRGKRZSA-N 1 1 369.441 1.422 20 50 FDGDMO C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NNc1cccc(C(=O)[O-])c1F ZINC001599836199 988746802 /nfs/dbraw/zinc/74/68/02/988746802.db2.gz UYEZYJUEYJIIGQ-LBPRGKRZSA-N 1 1 369.441 1.422 20 50 FDGDMO O=C(NNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)c1cccc(-c2nn[nH]n2)c1 ZINC000826444529 607462764 /nfs/dbraw/zinc/46/27/64/607462764.db2.gz KEOZVVPWCAIYLO-HNNXBMFYSA-N 1 1 369.429 1.035 20 50 FDGDMO C[N@H+]1CCC[C@@H]1CNC(=O)NNC(=O)c1ccccc1Br ZINC000139237785 671849174 /nfs/dbraw/zinc/84/91/74/671849174.db2.gz UMEYYMVWXQZDAG-SNVBAGLBSA-N 1 1 355.236 1.487 20 50 FDGDMO CC[C@@H](C(=O)NNc1oc(C(C)C)nc1-c1nn[nH]n1)[NH+](CC)CC ZINC000820843118 945568387 /nfs/dbraw/zinc/56/83/87/945568387.db2.gz TWGKHIUKAFELIA-JTQLQIEISA-N 1 1 350.427 1.542 20 50 FDGDMO C[C@H](C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C(=O)NN=Cc1ccccc1-c1nn[nH]n1 ZINC000824983931 607884290 /nfs/dbraw/zinc/88/42/90/607884290.db2.gz DFVCCJGNZMLJOT-MCIONIFRSA-N 1 1 371.445 1.062 20 50 FDGDMO CC[C@H](C)[N@@H+](C)CCNC(=O)C(C#N)=Cc1cc(-c2nn[nH]n2)n(C)c1C ZINC000736323192 944801314 /nfs/dbraw/zinc/80/13/14/944801314.db2.gz VNMSBQMTHRRIMN-ZENNRRHLSA-N 1 1 370.461 1.267 20 50 FDGDMO O=C(NNC(=O)[C@H]1CCC[N@H+]1C1CCCC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000826444463 607462761 /nfs/dbraw/zinc/46/27/61/607462761.db2.gz HOAXRQGKZBULAG-OAHLLOKOSA-N 1 1 369.429 1.035 20 50 FDGDMO CC(C)(C)[C@@H]1CCC[N@H+]1CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000824080128 607922114 /nfs/dbraw/zinc/92/21/14/607922114.db2.gz UYEOVVDPUVHRPT-AWEZNQCLSA-N 1 1 371.445 1.138 20 50 FDGDMO CC(C)[C@H]1CCCC[N@H+]1CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000824214440 607923272 /nfs/dbraw/zinc/92/32/72/607923272.db2.gz GKGJVANXGCBZNN-OAHLLOKOSA-N 1 1 371.445 1.138 20 50 FDGDMO C[C@H]1CCC[C@H](C)[N@@H+](CC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)C1 ZINC000824927278 607923340 /nfs/dbraw/zinc/92/33/40/607923340.db2.gz NKVZVLFYJUYKEG-STQMWFEESA-N 1 1 371.445 1.138 20 50 FDGDMO CC[C@@H]1CCCCC[N@H+]1CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000825194078 607923455 /nfs/dbraw/zinc/92/34/55/607923455.db2.gz OXSADZLEGWKEID-OAHLLOKOSA-N 1 1 371.445 1.282 20 50 FDGDMO C[N@H+]1Cc2ccccc2[C@@H](NC(=O)NNc2cccc(-c3nn[nH]n3)c2)C1 ZINC000826044922 607960109 /nfs/dbraw/zinc/96/01/09/607960109.db2.gz MUGKGTGOAWYLAR-INIZCTEOSA-N 1 1 364.413 1.680 20 50 FDGDMO C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)NNc2cccc(-c3nn[nH]n3)c2)C1 ZINC000826044922 607960110 /nfs/dbraw/zinc/96/01/10/607960110.db2.gz MUGKGTGOAWYLAR-INIZCTEOSA-N 1 1 364.413 1.680 20 50 FDGDMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)NNc1cccc(-c2nn[nH]n2)c1 ZINC000736400981 944814548 /nfs/dbraw/zinc/81/45/48/944814548.db2.gz UMAMYYCRDPAVQK-OAHLLOKOSA-N 1 1 358.450 1.757 20 50 FDGDMO O=C(NNc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000826446535 607356772 /nfs/dbraw/zinc/35/67/72/607356772.db2.gz PHTWLEJWKFFYDV-KRWDZBQOSA-N 1 1 363.425 1.974 20 50 FDGDMO C[C@@H]1CCC[C@@H]([N@@H+](C)CC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)C1 ZINC000824925239 607921528 /nfs/dbraw/zinc/92/15/28/607921528.db2.gz CANRVZRWJJVOPN-IUODEOHRSA-N 1 1 371.445 1.138 20 50 FDGDMO O=C(NNc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000826446637 607355997 /nfs/dbraw/zinc/35/59/97/607355997.db2.gz SLNXPXPEOQIHSL-CQSZACIVSA-N 1 1 355.446 1.964 20 50 FDGDMO C[C@@H](C(=O)NNc1cccc(-c2nn[nH]n2)c1)[N@H+](C)Cc1ccccc1 ZINC000824039980 607714892 /nfs/dbraw/zinc/71/48/92/607714892.db2.gz KCZVZGCCZGIWDZ-ZDUSSCGKSA-N 1 1 351.414 1.830 20 50 FDGDMO C[C@@H](C(=O)NNc1cccc(-c2nn[nH]n2)c1)[N@@H+](C)Cc1ccccc1 ZINC000824039980 607714893 /nfs/dbraw/zinc/71/48/93/607714893.db2.gz KCZVZGCCZGIWDZ-ZDUSSCGKSA-N 1 1 351.414 1.830 20 50 FDGDMO CC(=NNC(=O)c1ccc(C[NH+](C)C)o1)c1ccc(-c2nn[nH]n2)cc1F ZINC000823948191 609274801 /nfs/dbraw/zinc/27/48/01/609274801.db2.gz GIDGNRLPDKFKMC-UHFFFAOYSA-N 1 1 371.376 1.814 20 50 FDGDMO CCCCCC[N@@H+](C)CC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000736448320 944825488 /nfs/dbraw/zinc/82/54/88/944825488.db2.gz LTRRYSPZCUTNFE-UHFFFAOYSA-N 1 1 359.434 1.140 20 50 FDGDMO CC(C)[N@@H+]1CC(=NNC(=O)COc2ccccc2-c2nn[nH]n2)[C@H](C)C1 ZINC000820744322 945545409 /nfs/dbraw/zinc/54/54/09/945545409.db2.gz XYKBZBRUBMQNCB-GFCCVEGCSA-N 1 1 357.418 1.078 20 50 FDGDMO C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NNc1ccc(C(=O)[O-])c(F)c1 ZINC001599835834 988741181 /nfs/dbraw/zinc/74/11/81/988741181.db2.gz JDGQHQGQRRCDHJ-LBPRGKRZSA-N 1 1 369.441 1.422 20 50 FDGDMO C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NNc1ccc(C(=O)[O-])c(F)c1 ZINC001599835834 988741182 /nfs/dbraw/zinc/74/11/82/988741182.db2.gz JDGQHQGQRRCDHJ-LBPRGKRZSA-N 1 1 369.441 1.422 20 50 FDGDMO C[N@@H+]1CCC[C@@H]1C(=O)NNc1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1 ZINC000826034692 607395925 /nfs/dbraw/zinc/39/59/25/607395925.db2.gz WCXZFBSWLHWOGP-LLVKDONJSA-N 1 1 355.324 1.423 20 50 FDGDMO C[N@H+]1CCC[C@@H]1C(=O)NNc1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1 ZINC000826034692 607395926 /nfs/dbraw/zinc/39/59/26/607395926.db2.gz WCXZFBSWLHWOGP-LLVKDONJSA-N 1 1 355.324 1.423 20 50 FDGDMO CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2c1ccc(NC(=O)CCl)cn1 ZINC001164931459 721886159 /nfs/dbraw/zinc/88/61/59/721886159.db2.gz FLUOJKIKFIQAOM-LSDHHAIUSA-N 1 1 351.882 1.474 20 50 FDGDMO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2c1ccc(NC(=O)CCl)cn1 ZINC001164931459 721886161 /nfs/dbraw/zinc/88/61/61/721886161.db2.gz FLUOJKIKFIQAOM-LSDHHAIUSA-N 1 1 351.882 1.474 20 50 FDGDMO C[N@H+](CC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1)CC1CCCCC1 ZINC000821593894 945731696 /nfs/dbraw/zinc/73/16/96/945731696.db2.gz OZHGXCAWCCMWBK-UHFFFAOYSA-N 1 1 371.445 1.140 20 50 FDGDMO CC(C)[N@@H+]1CC(=NNC(=O)COc2ccc(-c3nn[nH]n3)cc2)[C@H](C)C1 ZINC000820743036 945542598 /nfs/dbraw/zinc/54/25/98/945542598.db2.gz POKODDAKKCOCGP-GFCCVEGCSA-N 1 1 357.418 1.078 20 50 FDGDMO CC[C@@]1(C)CCC[N@H+](CC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)C1 ZINC000820949860 945596569 /nfs/dbraw/zinc/59/65/69/945596569.db2.gz GQZOPBOLAFCLTN-SFHVURJKSA-N 1 1 371.445 1.140 20 50 FDGDMO CC[C@@]1(C)CCC[N@@H+](CC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)C1 ZINC000820949860 945596576 /nfs/dbraw/zinc/59/65/76/945596576.db2.gz GQZOPBOLAFCLTN-SFHVURJKSA-N 1 1 371.445 1.140 20 50 FDGDMO O=C(CCl)Nc1ccc(N2C[C@@H]3C[N@H+](CC4CC4)C[C@H](C2)O3)nc1 ZINC001164967933 722076906 /nfs/dbraw/zinc/07/69/06/722076906.db2.gz MZKPCRVYFYGDNT-GASCZTMLSA-N 1 1 350.850 1.558 20 50 FDGDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)C(C#N)=Cc1cc(-c2nn[nH]n2)n(C)c1C ZINC000736323191 944801225 /nfs/dbraw/zinc/80/12/25/944801225.db2.gz VNMSBQMTHRRIMN-KMHUVPDISA-N 1 1 370.461 1.267 20 50 FDGDMO CC[N@H+]1CCC[C@@H](NC(=O)C(C#N)=Cc2cc(-c3nn[nH]n3)n(C)c2C)C1 ZINC000736572605 944846652 /nfs/dbraw/zinc/84/66/52/944846652.db2.gz VXGXSSUUHHKKCL-CKNOQMABSA-N 1 1 368.445 1.021 20 50 FDGDMO Cc1c(C=C(C#N)C(=O)NC[C@@H](C)[N@@H+](C)C2CC2)cc(-c2nn[nH]n2)n1C ZINC000737213480 945004123 /nfs/dbraw/zinc/00/41/23/945004123.db2.gz UGGBUTJNQMPQDM-LLUUXILJSA-N 1 1 368.445 1.020 20 50 FDGDMO CC1(C)CCC[N@@H+](CC(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000820597099 945497159 /nfs/dbraw/zinc/49/71/59/945497159.db2.gz YQSAPMBYOLYTFM-UHFFFAOYSA-N 1 1 371.445 1.140 20 50 FDGDMO CCC1(CC)CC[N@@H+](CC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)C1 ZINC000820956613 945596652 /nfs/dbraw/zinc/59/66/52/945596652.db2.gz JOLJNQWDQQKNDA-UHFFFAOYSA-N 1 1 371.445 1.140 20 50 FDGDMO CC[N@@H+](CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1)C1CCCCC1 ZINC000825394617 607921382 /nfs/dbraw/zinc/92/13/82/607921382.db2.gz FVIZWFNHYPDDBS-UHFFFAOYSA-N 1 1 371.445 1.282 20 50 FDGDMO Cc1c(C=C(C#N)C(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc(-c2nn[nH]n2)n1C ZINC000737212142 944990682 /nfs/dbraw/zinc/99/06/82/944990682.db2.gz HWYUZYZXGUSQDL-SXEFYWFXSA-N 1 1 368.445 1.020 20 50 FDGDMO CC(C)[N@H+](CC(=O)NNC(=O)C(C)(C)C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000820111643 945351768 /nfs/dbraw/zinc/35/17/68/945351768.db2.gz DWXPXVOVDOAVIV-UHFFFAOYSA-N 1 1 373.461 1.271 20 50 FDGDMO CC(C)[N@@H+](CC(=O)NNC(=O)C(C)(C)C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000820111643 945351776 /nfs/dbraw/zinc/35/17/76/945351776.db2.gz DWXPXVOVDOAVIV-UHFFFAOYSA-N 1 1 373.461 1.271 20 50 FDGDMO CCC[C@@H]1CCC[N@@H+](CC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)C1 ZINC000821039516 945621055 /nfs/dbraw/zinc/62/10/55/945621055.db2.gz DAIDYHCGAGOOCF-CYBMUJFWSA-N 1 1 371.445 1.140 20 50 FDGDMO C[C@@H]1CCC[C@@H](C)[N@@H+](CC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)C1 ZINC000824927275 607923310 /nfs/dbraw/zinc/92/33/10/607923310.db2.gz NKVZVLFYJUYKEG-CHWSQXEVSA-N 1 1 371.445 1.138 20 50 FDGDMO O=C(NNc1cccc(-c2nn[nH]n2)c1)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000826448419 607336599 /nfs/dbraw/zinc/33/65/99/607336599.db2.gz UVSYINJMDARXJF-QGZVFWFLSA-N 1 1 363.425 1.974 20 50 FDGDMO O=C(NNc1cccc(-c2nn[nH]n2)c1)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000826448419 607336601 /nfs/dbraw/zinc/33/66/01/607336601.db2.gz UVSYINJMDARXJF-QGZVFWFLSA-N 1 1 363.425 1.974 20 50 FDGDMO C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NNc1cccc(-c2nn[nH]n2)c1 ZINC000825851057 607717134 /nfs/dbraw/zinc/71/71/34/607717134.db2.gz TXOVTVWHAUMOMZ-INIZCTEOSA-N 1 1 351.414 1.483 20 50 FDGDMO CC(C)C[C@H]1CCC[N@H+]1CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000824244022 607922258 /nfs/dbraw/zinc/92/22/58/607922258.db2.gz PGPUUDLUMDROMT-OAHLLOKOSA-N 1 1 371.445 1.138 20 50 FDGDMO CC(C)[C@@H]1CCCC[N@H+]1CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000824214438 607923167 /nfs/dbraw/zinc/92/31/67/607923167.db2.gz GKGJVANXGCBZNN-HNNXBMFYSA-N 1 1 371.445 1.138 20 50 FDGDMO CC[N@@H+](CCNC(=O)C(C#N)=Cc1cc(-c2nn[nH]n2)n(C)c1C)C1CC1 ZINC000736538470 944840096 /nfs/dbraw/zinc/84/00/96/944840096.db2.gz XEVKTNMNFYJDRA-ZROIWOOFSA-N 1 1 368.445 1.021 20 50 FDGDMO CC[N@H+]1CCC[C@@H](NC(=O)C(C#N)=Cc2cc(-c3nn[nH]n3)n(C)c2C)C1 ZINC000736572608 944847342 /nfs/dbraw/zinc/84/73/42/944847342.db2.gz VXGXSSUUHHKKCL-UJMHRVFCSA-N 1 1 368.445 1.021 20 50 FDGDMO C[C@H](C(=O)NNc1cccc(-c2nn[nH]n2)c1)[N@H+](C)Cc1ccccc1 ZINC000824039979 607714659 /nfs/dbraw/zinc/71/46/59/607714659.db2.gz KCZVZGCCZGIWDZ-CYBMUJFWSA-N 1 1 351.414 1.830 20 50 FDGDMO C[C@H](C(=O)NNc1cccc(-c2nn[nH]n2)c1)[N@@H+](C)Cc1ccccc1 ZINC000824039979 607714661 /nfs/dbraw/zinc/71/46/61/607714661.db2.gz KCZVZGCCZGIWDZ-CYBMUJFWSA-N 1 1 351.414 1.830 20 50 FDGDMO CC[N@H+]1CCC[C@H](NC(=O)C(C#N)=Cc2cc(-c3nn[nH]n3)n(C)c2C)C1 ZINC000736572606 944846893 /nfs/dbraw/zinc/84/68/93/944846893.db2.gz 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1.025 20 50 FDGDMO CC[N@H+]1CCC[C@H](NC(=O)C(C#N)=Cc2cc(-c3nn[nH]n3)n(C)c2C)C1 ZINC000736572607 944846406 /nfs/dbraw/zinc/84/64/06/944846406.db2.gz VXGXSSUUHHKKCL-OWTLUSIOSA-N 1 1 368.445 1.021 20 50 FDGDMO CC1(C)CCC[N@@H+](CC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000820595414 945494531 /nfs/dbraw/zinc/49/45/31/945494531.db2.gz IRRNKQVBNXAJNA-UHFFFAOYSA-N 1 1 371.445 1.140 20 50 FDGDMO C[C@@H](C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C(=O)NN=Cc1ccccc1-c1nn[nH]n1 ZINC000824983932 607884160 /nfs/dbraw/zinc/88/41/60/607884160.db2.gz DFVCCJGNZMLJOT-MELADBBJSA-N 1 1 371.445 1.062 20 50 FDGDMO CC1CCC([N@@H+](C)CC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000824917064 607920574 /nfs/dbraw/zinc/92/05/74/607920574.db2.gz MAEPBAJEBBKKNX-UHFFFAOYSA-N 1 1 371.445 1.138 20 50 FDGDMO CC(C)[N@@H+]1CC(=NNC(=O)COc2ccccc2-c2nn[nH]n2)[C@@H](C)C1 ZINC000820744324 945544701 /nfs/dbraw/zinc/54/47/01/945544701.db2.gz XYKBZBRUBMQNCB-LBPRGKRZSA-N 1 1 357.418 1.078 20 50 FDGDMO CC[C@@H]1CCC[N@@H+](CC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000820979421 945604113 /nfs/dbraw/zinc/60/41/13/945604113.db2.gz IBWPCKSDWOFHGA-CYBMUJFWSA-N 1 1 371.445 1.140 20 50 FDGDMO CCC[N@H+](CC(=O)NNC(=O)C(C)(C)C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000821087975 945633745 /nfs/dbraw/zinc/63/37/45/945633745.db2.gz IWWZGUREXPQHFH-UHFFFAOYSA-N 1 1 373.461 1.272 20 50 FDGDMO CCC[N@@H+](CC(=O)NNC(=O)C(C)(C)C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000821087975 945633752 /nfs/dbraw/zinc/63/37/52/945633752.db2.gz IWWZGUREXPQHFH-UHFFFAOYSA-N 1 1 373.461 1.272 20 50 FDGDMO C[N@H+]1CC[C@H](C(=O)NNc2ccc(-c3nn[nH]n3)c(C(F)(F)F)c2)C1 ZINC000821621924 945751932 /nfs/dbraw/zinc/75/19/32/945751932.db2.gz LHCOGVUDDRKRLH-QMMMGPOBSA-N 1 1 355.324 1.280 20 50 FDGDMO C[C@H]1CCC[C@H]([N@@H+](C)CC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)C1 ZINC000824925241 607921303 /nfs/dbraw/zinc/92/13/03/607921303.db2.gz CANRVZRWJJVOPN-WFASDCNBSA-N 1 1 371.445 1.138 20 50 FDGDMO C[N@H+]1CCC[C@@H]2CN(CC(=O)NNC(=O)c3cccc(Cl)c3)CC[C@@H]21 ZINC000139875236 671850307 /nfs/dbraw/zinc/85/03/07/671850307.db2.gz ZCUBGOLRHRSTRB-ZBFHGGJFSA-N 1 1 364.877 1.517 20 50 FDGDMO