smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H](CNC(=O)NNc1cccc(-c2nnn[n-]2)c1)S(C)(=O)=O ZINC000824420519 607837211 /nfs/dbraw/zinc/83/72/11/607837211.db2.gz LSZQBJGPHUKWKN-QMMMGPOBSA-N -1 3 339.381 -0.074 20 50 EBGDHM C[C@@H](CNC(=O)NNc1cccc(-c2nn[n-]n2)c1)S(C)(=O)=O ZINC000824420519 607837212 /nfs/dbraw/zinc/83/72/12/607837212.db2.gz LSZQBJGPHUKWKN-QMMMGPOBSA-N -1 3 339.381 -0.074 20 50 EBGDHM CC1(C)NC(=O)N(CC(=O)NNc2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000824812782 607346182 /nfs/dbraw/zinc/34/61/82/607346182.db2.gz QOGSXVMJJUZVCC-UHFFFAOYSA-N -1 3 344.335 -0.360 20 50 EBGDHM O=C([O-])NCCCC(=O)NNC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000834232797 605818680 /nfs/dbraw/zinc/81/86/80/605818680.db2.gz YHAQCDPYSYKSKL-GHMZBOCLSA-N -1 3 343.384 -0.772 20 50 EBGDHM COC(=O)[C@@H](NNC(=O)COc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000826111189 609373074 /nfs/dbraw/zinc/37/30/74/609373074.db2.gz 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CN(CC(=O)NNC(=O)C1CC1)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000736782520 944890593 /nfs/dbraw/zinc/89/05/93/944890593.db2.gz BVPNNKBMHCGLNM-UHFFFAOYSA-N -1 3 329.364 -0.144 20 50 EBGDHM CN(CC(=O)NNC(=O)C1CC1)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000736782520 944890599 /nfs/dbraw/zinc/89/05/99/944890599.db2.gz BVPNNKBMHCGLNM-UHFFFAOYSA-N -1 3 329.364 -0.144 20 50 EBGDHM Cc1c(C=C(C#N)C(=O)NCC[S@](C)=O)cc(-c2nnn[n-]2)n1C ZINC000737211546 944986474 /nfs/dbraw/zinc/98/64/74/944986474.db2.gz CQPAIJNASZDKJP-WOOKEEJGSA-N -1 3 347.404 -0.085 20 50 EBGDHM Cc1c(C=C(C#N)C(=O)NCC[S@](C)=O)cc(-c2nn[n-]n2)n1C ZINC000737211546 944986483 /nfs/dbraw/zinc/98/64/83/944986483.db2.gz CQPAIJNASZDKJP-WOOKEEJGSA-N -1 3 347.404 -0.085 20 50 EBGDHM CCC(CC)NC(=O)C(=O)NNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000820898061 945583435 /nfs/dbraw/zinc/58/34/35/945583435.db2.gz TWZAGXYALSYSOD-UHFFFAOYSA-N -1 3 334.340 -0.739 20 50 EBGDHM CCC(CC)NC(=O)C(=O)NNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000820898061 945583442 /nfs/dbraw/zinc/58/34/42/945583442.db2.gz TWZAGXYALSYSOD-UHFFFAOYSA-N -1 3 334.340 -0.739 20 50 EBGDHM CCC(CC)NC(=O)C(=O)NNC(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000820897393 945584748 /nfs/dbraw/zinc/58/47/48/945584748.db2.gz CQZXKMFVVKFADF-UHFFFAOYSA-N -1 3 348.367 -0.729 20 50 EBGDHM CCC(CC)NC(=O)C(=O)NNC(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000820897393 945584754 /nfs/dbraw/zinc/58/47/54/945584754.db2.gz CQZXKMFVVKFADF-UHFFFAOYSA-N -1 3 348.367 -0.729 20 50 EBGDHM CCOCC(=O)NN[C@H](C(=O)OC)c1cccc(-c2nnn[n-]2)c1 ZINC000821367828 945683875 /nfs/dbraw/zinc/68/38/75/945683875.db2.gz NKVCHYATRABOBL-LBPRGKRZSA-N -1 3 334.336 -0.262 20 50 EBGDHM CCOCC(=O)NN[C@H](C(=O)OC)c1cccc(-c2nn[n-]n2)c1 ZINC000821367828 945683882 /nfs/dbraw/zinc/68/38/82/945683882.db2.gz NKVCHYATRABOBL-LBPRGKRZSA-N -1 3 334.336 -0.262 20 50 EBGDHM NC(=O)[C@H]1CC[C@H](CNC(=O)NNc2cccc(-c3nnn[n-]3)c2)O1 ZINC000822860108 946204631 /nfs/dbraw/zinc/20/46/31/946204631.db2.gz NKRGSDSEGLYXSD-GHMZBOCLSA-N -1 3 346.351 -0.474 20 50 EBGDHM NC(=O)[C@H]1CC[C@H](CNC(=O)NNc2cccc(-c3nn[n-]n3)c2)O1 ZINC000822860108 946204641 /nfs/dbraw/zinc/20/46/41/946204641.db2.gz NKRGSDSEGLYXSD-GHMZBOCLSA-N -1 3 346.351 -0.474 20 50 EBGDHM O=C(CN1CCCOCC1)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000822997551 946258890 /nfs/dbraw/zinc/25/88/90/946258890.db2.gz RVWPIMIEOSMWAQ-UHFFFAOYSA-N -1 3 345.363 -0.650 20 50 EBGDHM O=C(CN1CCCOCC1)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000822997551 946258897 /nfs/dbraw/zinc/25/88/97/946258897.db2.gz RVWPIMIEOSMWAQ-UHFFFAOYSA-N -1 3 345.363 -0.650 20 50 EBGDHM O=C(COC(=O)CC1CC1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000823017470 946268191 /nfs/dbraw/zinc/26/81/91/946268191.db2.gz AAQQGZNAYBQXBU-UHFFFAOYSA-N -1 3 344.331 -0.029 20 50 EBGDHM O=C(COC(=O)CC1CC1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000823017470 946268201 /nfs/dbraw/zinc/26/82/01/946268201.db2.gz AAQQGZNAYBQXBU-UHFFFAOYSA-N -1 3 344.331 -0.029 20 50 EBGDHM C[C@@H]1OCC[C@H]1NC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825022297 947049939 /nfs/dbraw/zinc/04/99/39/947049939.db2.gz XHKGUHXBYJMUEO-GZMMTYOYSA-N -1 3 331.336 -0.012 20 50 EBGDHM C[C@@H]1OCC[C@H]1NC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825022297 947049951 /nfs/dbraw/zinc/04/99/51/947049951.db2.gz XHKGUHXBYJMUEO-GZMMTYOYSA-N -1 3 331.336 -0.012 20 50 EBGDHM CCC(CC)NC(=O)C(=O)NNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000825106816 607741977 /nfs/dbraw/zinc/74/19/77/607741977.db2.gz IWMIHKXICQKWSC-UHFFFAOYSA-N -1 3 334.340 -0.739 20 50 EBGDHM CCC(CC)NC(=O)C(=O)NNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000825106816 607741978 /nfs/dbraw/zinc/74/19/78/607741978.db2.gz IWMIHKXICQKWSC-UHFFFAOYSA-N -1 3 334.340 -0.739 20 50 EBGDHM O=C(NNC(=O)[C@@H]1CCNC(=O)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000823521408 606733694 /nfs/dbraw/zinc/73/36/94/606733694.db2.gz WHXXXAJBYYXZHE-SNVBAGLBSA-N -1 3 329.320 -0.846 20 50 EBGDHM O=C(NNC(=O)[C@@H]1CCNC(=O)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000823521408 606733695 /nfs/dbraw/zinc/73/36/95/606733695.db2.gz WHXXXAJBYYXZHE-SNVBAGLBSA-N -1 3 329.320 -0.846 20 50 EBGDHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NNC(=O)[C@H]1CCCO1 ZINC000824738701 607879574 /nfs/dbraw/zinc/87/95/74/607879574.db2.gz QTXOUNQVXMKENG-JOYOIKCWSA-N -1 3 346.347 -0.040 20 50 EBGDHM O=C(CN1CCC[C@@H]1CO)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826410703 607922866 /nfs/dbraw/zinc/92/28/66/607922866.db2.gz WBBZXMBYQDTRKI-GFCCVEGCSA-N -1 3 345.363 -0.916 20 50 EBGDHM CC(C(=O)NN=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1)S(C)(=O)=O ZINC000824039061 608571083 /nfs/dbraw/zinc/57/10/83/608571083.db2.gz CGLCYDUOJQYEDR-YFKPBYRVSA-N -1 3 345.772 -0.209 20 50 EBGDHM Nc1ncc(C=NNC(=O)COc2ccccc2-c2nnn[n-]2)cn1 ZINC000826396146 609375168 /nfs/dbraw/zinc/37/51/68/609375168.db2.gz IWFUBGAXFCPXHV-UHFFFAOYSA-N -1 3 339.319 -0.232 20 50 EBGDHM Nc1ncc(C=NNC(=O)COc2ccccc2-c2nn[n-]n2)cn1 ZINC000826396146 609375169 /nfs/dbraw/zinc/37/51/69/609375169.db2.gz IWFUBGAXFCPXHV-UHFFFAOYSA-N -1 3 339.319 -0.232 20 50 EBGDHM Cn1cc(CNC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)cn1 ZINC000737601289 945100140 /nfs/dbraw/zinc/10/01/40/945100140.db2.gz GUAJGRXCLIUWFL-UHFFFAOYSA-N -1 3 341.335 -0.256 20 50 EBGDHM Cn1cc(CNC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)cn1 ZINC000737601289 945100147 /nfs/dbraw/zinc/10/01/47/945100147.db2.gz GUAJGRXCLIUWFL-UHFFFAOYSA-N -1 3 341.335 -0.256 20 50 EBGDHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)NNc1cnccn1 ZINC000737890101 945147291 /nfs/dbraw/zinc/14/72/91/945147291.db2.gz RLNPNRYNZHVUFW-UHFFFAOYSA-N -1 3 339.319 -0.470 20 50 EBGDHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)NNc1cnccn1 ZINC000737890101 945147295 /nfs/dbraw/zinc/14/72/95/945147295.db2.gz RLNPNRYNZHVUFW-UHFFFAOYSA-N -1 3 339.319 -0.470 20 50 EBGDHM O=C(Cn1ccccc1=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737989279 945172319 /nfs/dbraw/zinc/17/23/19/945172319.db2.gz WSJLICLAAUXGSF-UHFFFAOYSA-N -1 3 339.315 -0.510 20 50 EBGDHM O=C(Cn1ccccc1=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737989279 945172326 /nfs/dbraw/zinc/17/23/26/945172326.db2.gz WSJLICLAAUXGSF-UHFFFAOYSA-N -1 3 339.315 -0.510 20 50 EBGDHM O=C(NC[C@@H]1COCCO1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000738051383 945178393 /nfs/dbraw/zinc/17/83/93/945178393.db2.gz MWJCYPGPQNUJBQ-LLVKDONJSA-N -1 3 347.335 -0.774 20 50 EBGDHM O=C(NC[C@@H]1COCCO1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000738051383 945178397 /nfs/dbraw/zinc/17/83/97/945178397.db2.gz MWJCYPGPQNUJBQ-LLVKDONJSA-N -1 3 347.335 -0.774 20 50 EBGDHM O=C(NNC(=O)c1ccc(-c2nnn[n-]2)cc1)NNC(=O)C1CCC1 ZINC000738137626 945245672 /nfs/dbraw/zinc/24/56/72/945245672.db2.gz WLZZHBDHYILEFI-UHFFFAOYSA-N -1 3 344.335 -0.358 20 50 EBGDHM O=C(NNC(=O)c1ccc(-c2nn[n-]n2)cc1)NNC(=O)C1CCC1 ZINC000738137626 945245680 /nfs/dbraw/zinc/24/56/80/945245680.db2.gz WLZZHBDHYILEFI-UHFFFAOYSA-N -1 3 344.335 -0.358 20 50 EBGDHM C#CCCCNC(=O)NNC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000819692322 945273675 /nfs/dbraw/zinc/27/36/75/945273675.db2.gz CGSKCWLZNCTPKI-UHFFFAOYSA-N -1 3 343.347 -0.011 20 50 EBGDHM C#CCCCNC(=O)NNC(=O)COc1ccccc1-c1nn[n-]n1 ZINC000819692322 945273683 /nfs/dbraw/zinc/27/36/83/945273683.db2.gz CGSKCWLZNCTPKI-UHFFFAOYSA-N -1 3 343.347 -0.011 20 50 EBGDHM CC(=O)N[C@@H](C(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)C(C)C ZINC000735474143 944663298 /nfs/dbraw/zinc/66/32/98/944663298.db2.gz HTPNCYVCPWRSKL-GFCCVEGCSA-N -1 3 345.363 -0.212 20 50 EBGDHM CC(=O)N[C@@H](C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)C(C)C ZINC000735474143 944663303 /nfs/dbraw/zinc/66/33/03/944663303.db2.gz HTPNCYVCPWRSKL-GFCCVEGCSA-N -1 3 345.363 -0.212 20 50 EBGDHM CC(C)(C)C(=O)NCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000735585720 944673794 /nfs/dbraw/zinc/67/37/94/944673794.db2.gz DHIZCJVMZAOBDM-UHFFFAOYSA-N -1 3 345.363 -0.210 20 50 EBGDHM CC(C)(C)C(=O)NCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000735585720 944673801 /nfs/dbraw/zinc/67/38/01/944673801.db2.gz DHIZCJVMZAOBDM-UHFFFAOYSA-N -1 3 345.363 -0.210 20 50 EBGDHM C[C@@H](CS(C)(=O)=O)NC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000736048926 944735128 /nfs/dbraw/zinc/73/51/28/944735128.db2.gz YBEHTWQEQKMELY-QMMMGPOBSA-N -1 3 339.381 -0.074 20 50 EBGDHM 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/nfs/dbraw/zinc/62/41/65/607624165.db2.gz MHGWETNWNOEROZ-UHFFFAOYSA-N -1 3 349.351 -0.258 20 50 EBGDHM CCOCC(=O)NNC(=O)NCc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000825582638 607624166 /nfs/dbraw/zinc/62/41/66/607624166.db2.gz MHGWETNWNOEROZ-UHFFFAOYSA-N -1 3 349.351 -0.258 20 50 EBGDHM COC[C@@](C)(CC(=O)[O-])NCC(=O)NNC(=O)c1cccc(C#N)c1 ZINC000833722608 604618012 /nfs/dbraw/zinc/61/80/12/604618012.db2.gz ZLJLNJGNRFPGRQ-MRXNPFEDSA-N -1 3 348.359 -0.211 20 50 EBGDHM CC(C)(NS(C)(=O)=O)C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000824168245 607714847 /nfs/dbraw/zinc/71/48/47/607714847.db2.gz YNZUKWKHRFVQOG-UHFFFAOYSA-N -1 3 339.381 -0.362 20 50 EBGDHM CC(C)(NS(C)(=O)=O)C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000824168245 607714849 /nfs/dbraw/zinc/71/48/49/607714849.db2.gz YNZUKWKHRFVQOG-UHFFFAOYSA-N -1 3 339.381 -0.362 20 50 EBGDHM O=C(NNC(=O)[C@H]1CCNC(=O)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823519479 606718490 /nfs/dbraw/zinc/71/84/90/606718490.db2.gz GEYGXZXTLJSAFR-JTQLQIEISA-N -1 3 329.320 -0.846 20 50 EBGDHM O=C(NNC(=O)[C@H]1CCNC(=O)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823519479 606718492 /nfs/dbraw/zinc/71/84/92/606718492.db2.gz GEYGXZXTLJSAFR-JTQLQIEISA-N -1 3 329.320 -0.846 20 50 EBGDHM O=C(NNC(=O)[C@@H]1CCNC(=O)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823519480 606718671 /nfs/dbraw/zinc/71/86/71/606718671.db2.gz GEYGXZXTLJSAFR-SNVBAGLBSA-N -1 3 329.320 -0.846 20 50 EBGDHM O=C(NNC(=O)[C@@H]1CCNC(=O)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823519480 606718673 /nfs/dbraw/zinc/71/86/73/606718673.db2.gz GEYGXZXTLJSAFR-SNVBAGLBSA-N -1 3 329.320 -0.846 20 50 EBGDHM CN(CC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)CC(F)F ZINC000825892175 607922564 /nfs/dbraw/zinc/92/25/64/607922564.db2.gz HICAZLLCANKNNG-UHFFFAOYSA-N -1 3 339.306 -0.175 20 50 EBGDHM CN(CC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)CC(F)F ZINC000825892175 607922565 /nfs/dbraw/zinc/92/25/65/607922565.db2.gz HICAZLLCANKNNG-UHFFFAOYSA-N -1 3 339.306 -0.175 20 50 EBGDHM Cn1c(=O)cccc1C(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826355261 607938090 /nfs/dbraw/zinc/93/80/90/607938090.db2.gz QTKICBVSWGFLHP-UHFFFAOYSA-N -1 3 339.315 -0.360 20 50 EBGDHM Cn1c(=O)cccc1C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826355261 607938091 /nfs/dbraw/zinc/93/80/91/607938091.db2.gz QTKICBVSWGFLHP-UHFFFAOYSA-N -1 3 339.315 -0.360 20 50 EBGDHM O=C(NNC(=O)[C@]1(O)CCSC1)c1cccc(-c2nnn[n-]2)c1 ZINC000826444554 608241967 /nfs/dbraw/zinc/24/19/67/608241967.db2.gz LCRMQWBLGGTQNE-ZDUSSCGKSA-N -1 3 334.361 -0.504 20 50 EBGDHM O=C(NNC(=O)[C@]1(O)CCSC1)c1cccc(-c2nn[n-]n2)c1 ZINC000826444554 608241969 /nfs/dbraw/zinc/24/19/69/608241969.db2.gz LCRMQWBLGGTQNE-ZDUSSCGKSA-N -1 3 334.361 -0.504 20 50 EBGDHM CN(NC(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1)C(N)=O ZINC000826004197 608863462 /nfs/dbraw/zinc/86/34/62/608863462.db2.gz NCQJISJNXKWWMX-UHFFFAOYSA-N -1 3 342.323 -0.710 20 50 EBGDHM CN(NC(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1)C(N)=O ZINC000826004197 608863464 /nfs/dbraw/zinc/86/34/64/608863464.db2.gz NCQJISJNXKWWMX-UHFFFAOYSA-N -1 3 342.323 -0.710 20 50 EBGDHM CCC(CC)NC(=O)C(=O)NNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000825107422 609465093 /nfs/dbraw/zinc/46/50/93/609465093.db2.gz NVMGIDANZATGRD-UHFFFAOYSA-N -1 3 334.340 -0.739 20 50 EBGDHM CCC(CC)NC(=O)C(=O)NNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000825107422 609465095 /nfs/dbraw/zinc/46/50/95/609465095.db2.gz NVMGIDANZATGRD-UHFFFAOYSA-N -1 3 334.340 -0.739 20 50 EBGDHM N#CC1(C(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)CCOCC1 ZINC000737676074 945112205 /nfs/dbraw/zinc/11/22/05/945112205.db2.gz UMIOXCSRQLZHOB-UHFFFAOYSA-N -1 3 341.331 -0.052 20 50 EBGDHM N#CC1(C(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)CCOCC1 ZINC000737676074 945112212 /nfs/dbraw/zinc/11/22/12/945112212.db2.gz UMIOXCSRQLZHOB-UHFFFAOYSA-N -1 3 341.331 -0.052 20 50 EBGDHM O=C(CNCC(F)(F)F)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737896543 945149046 /nfs/dbraw/zinc/14/90/46/945149046.db2.gz ZPGIGBDUQPZEKQ-UHFFFAOYSA-N -1 3 343.269 -0.220 20 50 EBGDHM O=C(CNCC(F)(F)F)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737896543 945149047 /nfs/dbraw/zinc/14/90/47/945149047.db2.gz ZPGIGBDUQPZEKQ-UHFFFAOYSA-N -1 3 343.269 -0.220 20 50 EBGDHM O=C(NCCNc1ccc(-c2nn[n-]n2)cn1)NNc1cccnn1 ZINC000738079214 945182372 /nfs/dbraw/zinc/18/23/72/945182372.db2.gz XUVSYRLUSNLLCN-UHFFFAOYSA-N -1 3 341.339 -0.210 20 50 EBGDHM C#CCCCNC(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000819692293 945273248 /nfs/dbraw/zinc/27/32/48/945273248.db2.gz AKSXWONRFIFBQE-UHFFFAOYSA-N -1 3 343.347 -0.011 20 50 EBGDHM C[C@@H](C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)S(C)(=O)=O ZINC000735550421 944668553 /nfs/dbraw/zinc/66/85/53/944668553.db2.gz HYBFRPDXFLVDCH-ZETCQYMHSA-N -1 3 338.349 -0.939 20 50 EBGDHM CCCC(=O)NCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736412432 944815661 /nfs/dbraw/zinc/81/56/61/944815661.db2.gz OOCSRVCLLNDQJQ-UHFFFAOYSA-N -1 3 331.336 -0.456 20 50 EBGDHM CCCC(=O)NCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736412432 944815665 /nfs/dbraw/zinc/81/56/65/944815665.db2.gz OOCSRVCLLNDQJQ-UHFFFAOYSA-N -1 3 331.336 -0.456 20 50 EBGDHM CCS(=O)(=O)CCNC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000736659257 944864209 /nfs/dbraw/zinc/86/42/09/944864209.db2.gz QTPPDZQIHMCFNN-UHFFFAOYSA-N -1 3 339.381 -0.073 20 50 EBGDHM CCS(=O)(=O)CCNC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000736659257 944864221 /nfs/dbraw/zinc/86/42/21/944864221.db2.gz QTPPDZQIHMCFNN-UHFFFAOYSA-N -1 3 339.381 -0.073 20 50 EBGDHM CN(C)CC(=O)NNC(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000736760599 944885204 /nfs/dbraw/zinc/88/52/04/944885204.db2.gz AWBQRIJXSSWUNM-UHFFFAOYSA-N -1 3 349.420 -0.191 20 50 EBGDHM COC(=O)[C@@H]1C[C@H]1C(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736911478 944909529 /nfs/dbraw/zinc/90/95/29/944909529.db2.gz UXZDBIIVHFNFMR-NXEZZACHSA-N -1 3 330.304 -0.563 20 50 EBGDHM COC(=O)[C@@H]1C[C@H]1C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736911478 944909534 /nfs/dbraw/zinc/90/95/34/944909534.db2.gz UXZDBIIVHFNFMR-NXEZZACHSA-N -1 3 330.304 -0.563 20 50 EBGDHM C[C@@H](CO)SCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820286967 945406704 /nfs/dbraw/zinc/40/67/04/945406704.db2.gz HKMSAJQVZICCMR-QMMMGPOBSA-N -1 3 336.377 -0.258 20 50 EBGDHM C[C@@H](CO)SCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820286967 945406710 /nfs/dbraw/zinc/40/67/10/945406710.db2.gz HKMSAJQVZICCMR-QMMMGPOBSA-N -1 3 336.377 -0.258 20 50 EBGDHM C[C@H](NS(C)(=O)=O)C(=O)NN=Cc1cc(-c2nnn[n-]2)cs1 ZINC000820449743 945452903 /nfs/dbraw/zinc/45/29/03/945452903.db2.gz BMXUXPCZYSNNCQ-LURJTMIESA-N -1 3 343.394 -0.684 20 50 EBGDHM C[C@H](NS(C)(=O)=O)C(=O)NN=Cc1cc(-c2nn[n-]n2)cs1 ZINC000820449743 945452908 /nfs/dbraw/zinc/45/29/08/945452908.db2.gz BMXUXPCZYSNNCQ-LURJTMIESA-N -1 3 343.394 -0.684 20 50 EBGDHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)NNC(=O)[C@@H]1COCCO1 ZINC000823246296 946355644 /nfs/dbraw/zinc/35/56/44/946355644.db2.gz JYZLLMHYGXPQDM-NSHDSACASA-N -1 3 347.335 -0.888 20 50 EBGDHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)NNC(=O)[C@@H]1COCCO1 ZINC000823246296 946355653 /nfs/dbraw/zinc/35/56/53/946355653.db2.gz JYZLLMHYGXPQDM-NSHDSACASA-N -1 3 347.335 -0.888 20 50 EBGDHM C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000824678761 946893816 /nfs/dbraw/zinc/89/38/16/946893816.db2.gz NSMFBWHAXJQRFG-UFBFGSQYSA-N -1 3 345.363 -0.415 20 50 EBGDHM Cc1n[nH]cc1C(=O)NNC(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC000826322259 947943822 /nfs/dbraw/zinc/94/38/22/947943822.db2.gz FCOSWWLUAGVCJH-UHFFFAOYSA-N -1 3 331.296 -0.802 20 50 EBGDHM COCCN1C[C@@H](C(=O)NNc2ccc(-c3nn[n-]n3)cc2)CC1=O ZINC000826159490 607344125 /nfs/dbraw/zinc/34/41/25/607344125.db2.gz HXPFJQOPJSQZRD-NSHDSACASA-N -1 3 345.363 -0.195 20 50 EBGDHM CC(C)NC(=O)CN(C)CC(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000824300992 607354743 /nfs/dbraw/zinc/35/47/43/607354743.db2.gz PLRJYTLXADTKRB-UHFFFAOYSA-N -1 3 346.395 -0.234 20 50 EBGDHM O=C(NNC(=O)[C@H]1CSC(=O)N1)c1cccc(-c2nnn[n-]2)c1 ZINC000823541647 599700437 /nfs/dbraw/zinc/70/04/37/599700437.db2.gz RSZMTUBVVLLNNM-MRVPVSSYSA-N -1 3 333.333 -0.547 20 50 EBGDHM O=C(NNC(=O)[C@H]1CSC(=O)N1)c1cccc(-c2nn[n-]n2)c1 ZINC000823541647 599700438 /nfs/dbraw/zinc/70/04/38/599700438.db2.gz RSZMTUBVVLLNNM-MRVPVSSYSA-N -1 3 333.333 -0.547 20 50 EBGDHM C=CC(=O)NCCC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823883513 607508780 /nfs/dbraw/zinc/50/87/80/607508780.db2.gz RVZJETMYHKYLCM-UHFFFAOYSA-N -1 3 329.320 -0.680 20 50 EBGDHM C=CC(=O)NCCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823883513 607508782 /nfs/dbraw/zinc/50/87/82/607508782.db2.gz RVZJETMYHKYLCM-UHFFFAOYSA-N -1 3 329.320 -0.680 20 50 EBGDHM CC(C)[C@H](O)CC(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000824207615 607552635 /nfs/dbraw/zinc/55/26/35/607552635.db2.gz YUMARDJCMLBOFJ-GFCCVEGCSA-N -1 3 348.363 -0.200 20 50 EBGDHM Cn1cc(C=NNC(=O)COc2ccc(-c3nn[n-]n3)cc2)nn1 ZINC000826359765 607882814 /nfs/dbraw/zinc/88/28/14/607882814.db2.gz PSJWDTRHDSBDHG-UHFFFAOYSA-N -1 3 327.308 -0.476 20 50 EBGDHM CN(CC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1)CC(F)F ZINC000825892295 608156370 /nfs/dbraw/zinc/15/63/70/608156370.db2.gz JIDAYGWAASXKDM-UHFFFAOYSA-N -1 3 339.306 -0.175 20 50 EBGDHM CN(CC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1)CC(F)F ZINC000825892295 608156373 /nfs/dbraw/zinc/15/63/73/608156373.db2.gz 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20 50 EBGDHM NC(=O)c1c[nH]c(C(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000822880458 946207838 /nfs/dbraw/zinc/20/78/38/946207838.db2.gz PCKOXMXGJQDMJV-UHFFFAOYSA-N -1 3 340.303 -0.632 20 50 EBGDHM NC(=O)c1c[nH]c(C(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822880458 946207846 /nfs/dbraw/zinc/20/78/46/946207846.db2.gz PCKOXMXGJQDMJV-UHFFFAOYSA-N -1 3 340.303 -0.632 20 50 EBGDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NNC(=O)Cc1ccon1 ZINC000823036532 946286017 /nfs/dbraw/zinc/28/60/17/946286017.db2.gz FXFMOQRPIKEVFM-UHFFFAOYSA-N -1 3 343.303 -0.376 20 50 EBGDHM O=C(NN=Cc1ccc(-c2nnn[n-]2)s1)[C@H]1CCS(=O)(=O)C1 ZINC000823273100 946373060 /nfs/dbraw/zinc/37/30/60/946373060.db2.gz DGHDGLIRQDVICQ-ZETCQYMHSA-N -1 3 340.390 -0.187 20 50 EBGDHM CC(C)(NS(C)(=O)=O)C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000824166281 607341172 /nfs/dbraw/zinc/34/11/72/607341172.db2.gz GVICXMQZWBNKEY-UHFFFAOYSA-N -1 3 339.381 -0.362 20 50 EBGDHM O=C(Cn1ccc(=O)[nH]c1=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826424616 607343593 /nfs/dbraw/zinc/34/35/93/607343593.db2.gz VCCFYNUSTURYDF-UHFFFAOYSA-N -1 3 328.292 -0.728 20 50 EBGDHM O=C(CN1CCCS1(=O)=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826410981 607349660 /nfs/dbraw/zinc/34/96/60/607349660.db2.gz GLSVFNLZYUNWNQ-UHFFFAOYSA-N -1 3 337.365 -0.655 20 50 EBGDHM O=C(NNC(=O)[C@@H]1CSC(=O)N1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823540463 599699634 /nfs/dbraw/zinc/69/96/34/599699634.db2.gz FQBHHHWVWGKXMM-QMMMGPOBSA-N -1 3 333.333 -0.547 20 50 EBGDHM O=C(NNC(=O)[C@@H]1CSC(=O)N1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823540463 599699635 /nfs/dbraw/zinc/69/96/35/599699635.db2.gz FQBHHHWVWGKXMM-QMMMGPOBSA-N -1 3 333.333 -0.547 20 50 EBGDHM O=C(NNC(=O)c1ccc2c(c1)OCO2)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826445552 607681908 /nfs/dbraw/zinc/68/19/08/607681908.db2.gz YNCLDDMHUUEMPY-UHFFFAOYSA-N -1 3 341.287 -0.002 20 50 EBGDHM O=C(NNC(=O)c1ccc2c(c1)OCO2)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826445552 607681909 /nfs/dbraw/zinc/68/19/09/607681909.db2.gz YNCLDDMHUUEMPY-UHFFFAOYSA-N -1 3 341.287 -0.002 20 50 EBGDHM COCCN1C[C@@H](C(=O)NNc2cccc(-c3nnn[n-]3)c2)CC1=O ZINC000826159584 607719113 /nfs/dbraw/zinc/71/91/13/607719113.db2.gz KPOWLVXGDFYWST-NSHDSACASA-N -1 3 345.363 -0.195 20 50 EBGDHM COCCN1C[C@@H](C(=O)NNc2cccc(-c3nn[n-]n3)c2)CC1=O ZINC000826159584 607719115 /nfs/dbraw/zinc/71/91/15/607719115.db2.gz KPOWLVXGDFYWST-NSHDSACASA-N -1 3 345.363 -0.195 20 50 EBGDHM CC1(C)C(=O)NC(=O)N1CC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000824783092 607730748 /nfs/dbraw/zinc/73/07/48/607730748.db2.gz CBYANBUCGVGDMG-UHFFFAOYSA-N -1 3 344.335 -0.360 20 50 EBGDHM CC1(C)C(=O)NC(=O)N1CC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000824783092 607730750 /nfs/dbraw/zinc/73/07/50/607730750.db2.gz CBYANBUCGVGDMG-UHFFFAOYSA-N -1 3 344.335 -0.360 20 50 EBGDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NNC(=O)[C@H]1CCCO1 ZINC000826417368 607880102 /nfs/dbraw/zinc/88/01/02/607880102.db2.gz ORMKCMARUHCGOP-LLVKDONJSA-N -1 3 332.320 -0.428 20 50 EBGDHM C[C@@H](NS(C)(=O)=O)C(=O)NN=Cc1ccccc1-c1nnn[n-]1 ZINC000824650867 607888275 /nfs/dbraw/zinc/88/82/75/607888275.db2.gz VDHJYDBSAVIBBD-MRVPVSSYSA-N -1 3 337.365 -0.746 20 50 EBGDHM C[C@@H](NS(C)(=O)=O)C(=O)NN=Cc1ccccc1-c1nn[n-]n1 ZINC000824650867 607888276 /nfs/dbraw/zinc/88/82/76/607888276.db2.gz VDHJYDBSAVIBBD-MRVPVSSYSA-N -1 3 337.365 -0.746 20 50 EBGDHM O=C(CN1CCC[C@H]1CO)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826410704 607922756 /nfs/dbraw/zinc/92/27/56/607922756.db2.gz WBBZXMBYQDTRKI-LBPRGKRZSA-N -1 3 345.363 -0.916 20 50 EBGDHM COC[C@@H](C)NC(=O)NNC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000826164399 608844438 /nfs/dbraw/zinc/84/44/38/608844438.db2.gz XIIJZACNHZGSNC-SECBINFHSA-N -1 3 349.351 -0.389 20 50 EBGDHM COC[C@@H](C)NC(=O)NNC(=O)COc1ccccc1-c1nn[n-]n1 ZINC000826164399 608844440 /nfs/dbraw/zinc/84/44/40/608844440.db2.gz XIIJZACNHZGSNC-SECBINFHSA-N -1 3 349.351 -0.389 20 50 EBGDHM C[C@H]1OCC[C@@H]1C(=O)NNC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000825011981 608882566 /nfs/dbraw/zinc/88/25/66/608882566.db2.gz BNWVMOZWNKUOQK-ZJUUUORDSA-N -1 3 346.347 -0.182 20 50 EBGDHM C[C@H]1OCC[C@@H]1C(=O)NNC(=O)COc1ccccc1-c1nn[n-]n1 ZINC000825011981 608882569 /nfs/dbraw/zinc/88/25/69/608882569.db2.gz BNWVMOZWNKUOQK-ZJUUUORDSA-N -1 3 346.347 -0.182 20 50 EBGDHM NC(=O)[C@H](NNC(=O)c1ccc[nH]1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737737264 945120878 /nfs/dbraw/zinc/12/08/78/945120878.db2.gz QGCBHWOXZOYCGW-LLVKDONJSA-N -1 3 326.320 -0.344 20 50 EBGDHM NC(=O)[C@H](NNC(=O)c1ccc[nH]1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737737264 945120884 /nfs/dbraw/zinc/12/08/84/945120884.db2.gz QGCBHWOXZOYCGW-LLVKDONJSA-N -1 3 326.320 -0.344 20 50 EBGDHM O=C(NNC(=O)c1cccc(-c2nnn[n-]2)c1)NNC(=O)C1CCC1 ZINC000738137071 945241668 /nfs/dbraw/zinc/24/16/68/945241668.db2.gz QXLXFCWBCICZEL-UHFFFAOYSA-N -1 3 344.335 -0.358 20 50 EBGDHM O=C(NNC(=O)c1cccc(-c2nn[n-]n2)c1)NNC(=O)C1CCC1 ZINC000738137071 945241671 /nfs/dbraw/zinc/24/16/71/945241671.db2.gz QXLXFCWBCICZEL-UHFFFAOYSA-N -1 3 344.335 -0.358 20 50 EBGDHM CC(C)CC(=O)NNC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000735755499 944696203 /nfs/dbraw/zinc/69/62/03/944696203.db2.gz FZHYEUMHNIJRAI-UHFFFAOYSA-N -1 3 346.351 -0.112 20 50 EBGDHM CC(C)CC(=O)NNC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000735755499 944696209 /nfs/dbraw/zinc/69/62/09/944696209.db2.gz FZHYEUMHNIJRAI-UHFFFAOYSA-N -1 3 346.351 -0.112 20 50 EBGDHM C[C@H](NS(C)(=O)=O)C(=O)NN=Cc1ccc(-c2nnn[n-]2)cc1 ZINC000736131810 944747841 /nfs/dbraw/zinc/74/78/41/944747841.db2.gz SDOSTYYUIOLMEH-QMMMGPOBSA-N -1 3 337.365 -0.746 20 50 EBGDHM C[C@H](NS(C)(=O)=O)C(=O)NN=Cc1ccc(-c2nn[n-]n2)cc1 ZINC000736131810 944747847 /nfs/dbraw/zinc/74/78/47/944747847.db2.gz SDOSTYYUIOLMEH-QMMMGPOBSA-N -1 3 337.365 -0.746 20 50 EBGDHM CCOCC(=O)NNC(=O)NCCNc1ncccc1-c1nnn[n-]1 ZINC000736608512 944854155 /nfs/dbraw/zinc/85/41/55/944854155.db2.gz MBJLIGOPUSGPGG-UHFFFAOYSA-N -1 3 349.355 -0.960 20 50 EBGDHM CCOCC(=O)NNC(=O)NCCNc1ncccc1-c1nn[n-]n1 ZINC000736608512 944854161 /nfs/dbraw/zinc/85/41/61/944854161.db2.gz MBJLIGOPUSGPGG-UHFFFAOYSA-N -1 3 349.355 -0.960 20 50 EBGDHM COC(=O)NC(C)(C)C(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736935705 944914243 /nfs/dbraw/zinc/91/42/43/944914243.db2.gz KTVMFNXDTYWIAA-UHFFFAOYSA-N -1 3 347.335 -0.238 20 50 EBGDHM COC(=O)NC(C)(C)C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736935705 944914259 /nfs/dbraw/zinc/91/42/59/944914259.db2.gz KTVMFNXDTYWIAA-UHFFFAOYSA-N -1 3 347.335 -0.238 20 50 EBGDHM C[C@]1(C(=O)NNC(=O)COc2ccc(-c3nn[n-]n3)cc2)CCCO1 ZINC000820577620 945487733 /nfs/dbraw/zinc/48/77/33/945487733.db2.gz SCQWEPSMLBFSAW-OAHLLOKOSA-N -1 3 346.347 -0.038 20 50 EBGDHM CNC(=O)[C@@H](C)NC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000821635249 945762401 /nfs/dbraw/zinc/76/24/01/945762401.db2.gz SUDSKFJKBLGCIH-ITXLNXHTSA-N -1 3 342.363 -0.329 20 50 EBGDHM CNC(=O)[C@@H](C)NC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000821635249 945762412 /nfs/dbraw/zinc/76/24/12/945762412.db2.gz SUDSKFJKBLGCIH-ITXLNXHTSA-N -1 3 342.363 -0.329 20 50 EBGDHM Cc1c(C=C(C#N)C(=O)O[C@H](C)C(N)=O)cc(-c2nnn[n-]2)n1C ZINC000822028330 945942484 /nfs/dbraw/zinc/94/24/84/945942484.db2.gz NBBSJVTYAPJLAS-OPWUTIMJSA-N -1 3 329.320 -0.162 20 50 EBGDHM Cc1c(C=C(C#N)C(=O)O[C@H](C)C(N)=O)cc(-c2nn[n-]n2)n1C ZINC000822028330 945942491 /nfs/dbraw/zinc/94/24/91/945942491.db2.gz NBBSJVTYAPJLAS-OPWUTIMJSA-N -1 3 329.320 -0.162 20 50 EBGDHM Cc1cc(=O)c(C(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)c[nH]1 ZINC000822161410 945966643 /nfs/dbraw/zinc/96/66/43/945966643.db2.gz PDGLPZGAIVAVQT-UHFFFAOYSA-N -1 3 339.315 -0.062 20 50 EBGDHM Cc1cc(=O)c(C(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)c[nH]1 ZINC000822161410 945966649 /nfs/dbraw/zinc/96/66/49/945966649.db2.gz PDGLPZGAIVAVQT-UHFFFAOYSA-N -1 3 339.315 -0.062 20 50 EBGDHM O=C(NNC(=O)[C@@H](O)C1CCOCC1)c1cccc(-c2nnn[n-]2)c1 ZINC000823273794 946387375 /nfs/dbraw/zinc/38/73/75/946387375.db2.gz YHRWEJFVQBFXTD-LBPRGKRZSA-N -1 3 346.347 -0.585 20 50 EBGDHM O=C(NNC(=O)[C@@H](O)C1CCOCC1)c1cccc(-c2nn[n-]n2)c1 ZINC000823273794 946387389 /nfs/dbraw/zinc/38/73/89/946387389.db2.gz YHRWEJFVQBFXTD-LBPRGKRZSA-N -1 3 346.347 -0.585 20 50 EBGDHM O=C(NNC(=O)[C@H]1Cc2ccccc2O1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000823273788 946389212 /nfs/dbraw/zinc/38/92/12/946389212.db2.gz YERQCEBCMGNSKA-GFCCVEGCSA-N -1 3 339.315 -0.041 20 50 EBGDHM O=C(NNC(=O)[C@H]1Cc2ccccc2O1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000823273788 946389224 /nfs/dbraw/zinc/38/92/24/946389224.db2.gz YERQCEBCMGNSKA-GFCCVEGCSA-N -1 3 339.315 -0.041 20 50 EBGDHM Cn1ccc(CC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826362796 948136389 /nfs/dbraw/zinc/13/63/89/948136389.db2.gz IRGVYCXSTONICF-UHFFFAOYSA-N -1 3 326.320 -0.396 20 50 EBGDHM Cn1ccc(CC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826362796 948136395 /nfs/dbraw/zinc/13/63/95/948136395.db2.gz IRGVYCXSTONICF-UHFFFAOYSA-N -1 3 326.320 -0.396 20 50 EBGDHM CN(C)CCN1C[C@@H](C(=O)NN=c2ccc(C(=O)[O-])c[nH]2)CC1=O ZINC001598230935 990936604 /nfs/dbraw/zinc/93/66/04/990936604.db2.gz KDGGDEBVPJPUBH-NSHDSACASA-N -1 3 335.364 -0.367 20 50 EBGDHM O=C(NNC(=S)Nc1ccccc1-c1nnn[n-]1)[C@@H]1COCCO1 ZINC000823281131 599664333 /nfs/dbraw/zinc/66/43/33/599664333.db2.gz MPACWPZUIMCSBE-JTQLQIEISA-N -1 3 349.376 -0.400 20 50 EBGDHM O=C(NNC(=S)Nc1ccccc1-c1nn[n-]n1)[C@@H]1COCCO1 ZINC000823281131 599664334 /nfs/dbraw/zinc/66/43/34/599664334.db2.gz MPACWPZUIMCSBE-JTQLQIEISA-N -1 3 349.376 -0.400 20 50 EBGDHM O=C(CCC(=O)N1CCOCC1)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826404484 607716025 /nfs/dbraw/zinc/71/60/25/607716025.db2.gz BYKMVIWVFMQIIB-UHFFFAOYSA-N -1 3 345.363 -0.051 20 50 EBGDHM O=C(CCC(=O)N1CCOCC1)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826404484 607716026 /nfs/dbraw/zinc/71/60/26/607716026.db2.gz BYKMVIWVFMQIIB-UHFFFAOYSA-N -1 3 345.363 -0.051 20 50 EBGDHM C[C@H](C(=O)NNc1cccc(-c2nnn[n-]2)c1)N1C(=O)CCC1=O ZINC000824038909 607728768 /nfs/dbraw/zinc/72/87/68/607728768.db2.gz AMSYYUHJJGHKOU-MRVPVSSYSA-N -1 3 329.320 -0.153 20 50 EBGDHM C[C@H](C(=O)NNc1cccc(-c2nn[n-]n2)c1)N1C(=O)CCC1=O ZINC000824038909 607728770 /nfs/dbraw/zinc/72/87/70/607728770.db2.gz AMSYYUHJJGHKOU-MRVPVSSYSA-N -1 3 329.320 -0.153 20 50 EBGDHM O=C(NNC(=O)[C@@]1(O)CCSC1)c1cccc(-c2nnn[n-]2)c1 ZINC000826444553 608241576 /nfs/dbraw/zinc/24/15/76/608241576.db2.gz LCRMQWBLGGTQNE-CYBMUJFWSA-N -1 3 334.361 -0.504 20 50 EBGDHM O=C(NNC(=O)[C@@]1(O)CCSC1)c1cccc(-c2nn[n-]n2)c1 ZINC000826444553 608241578 /nfs/dbraw/zinc/24/15/78/608241578.db2.gz LCRMQWBLGGTQNE-CYBMUJFWSA-N -1 3 334.361 -0.504 20 50 EBGDHM Cc1c(C=C(C#N)C(=O)N(C)[C@@H](C)C(N)=O)cc(-c2nnn[n-]2)n1C ZINC000826235489 608279195 /nfs/dbraw/zinc/27/91/95/608279195.db2.gz KVGCVCKIFBJMPR-WUFUFFIZSA-N -1 3 342.363 -0.247 20 50 EBGDHM Cc1c(C=C(C#N)C(=O)N(C)[C@@H](C)C(N)=O)cc(-c2nn[n-]n2)n1C ZINC000826235489 608279196 /nfs/dbraw/zinc/27/91/96/608279196.db2.gz KVGCVCKIFBJMPR-WUFUFFIZSA-N -1 3 342.363 -0.247 20 50 EBGDHM C[C@H]1OCC[C@H]1C(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000825012964 608882537 /nfs/dbraw/zinc/88/25/37/608882537.db2.gz MSLCOZBZJXTQTD-BXKDBHETSA-N -1 3 346.347 -0.182 20 50 EBGDHM Cc1nnc(SCC(=O)NNC(=O)C2CC2)c(-c2nnn[n-]2)c1C ZINC000826336648 609305574 /nfs/dbraw/zinc/30/55/74/609305574.db2.gz HRLAWJZEPXLPHD-UHFFFAOYSA-N -1 3 348.392 -0.077 20 50 EBGDHM Cc1nnc(SCC(=O)NNC(=O)C2CC2)c(-c2nn[n-]n2)c1C ZINC000826336648 609305577 /nfs/dbraw/zinc/30/55/77/609305577.db2.gz HRLAWJZEPXLPHD-UHFFFAOYSA-N -1 3 348.392 -0.077 20 50 EBGDHM Cn1cc(C(=O)NNC(=O)COc2ccccc2-c2nnn[n-]2)cn1 ZINC000737603368 945100569 /nfs/dbraw/zinc/10/05/69/945100569.db2.gz PODINOXWNVVCOC-UHFFFAOYSA-N -1 3 342.319 -0.560 20 50 EBGDHM O=C(CCN1CCCC1=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737842389 945137354 /nfs/dbraw/zinc/13/73/54/945137354.db2.gz BDVNOJDUCQCXSF-UHFFFAOYSA-N -1 3 343.347 -0.360 20 50 EBGDHM O=C(CCN1CCCC1=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737842389 945137361 /nfs/dbraw/zinc/13/73/61/945137361.db2.gz BDVNOJDUCQCXSF-UHFFFAOYSA-N -1 3 343.347 -0.360 20 50 EBGDHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)NNC(=O)C1CCC1 ZINC000737888815 945144363 /nfs/dbraw/zinc/14/43/63/945144363.db2.gz GHXKJBFDBMHWNJ-UHFFFAOYSA-N -1 3 343.347 -0.456 20 50 EBGDHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)NNC(=O)C1CCC1 ZINC000737888815 945144369 /nfs/dbraw/zinc/14/43/69/945144369.db2.gz GHXKJBFDBMHWNJ-UHFFFAOYSA-N -1 3 343.347 -0.456 20 50 EBGDHM O=C(CNC(=O)C1CC1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737889427 945144823 /nfs/dbraw/zinc/14/48/23/945144823.db2.gz MVZAAWZIBXDZLW-UHFFFAOYSA-N -1 3 329.320 -0.846 20 50 EBGDHM O=C(CNC(=O)C1CC1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737889427 945144827 /nfs/dbraw/zinc/14/48/27/945144827.db2.gz MVZAAWZIBXDZLW-UHFFFAOYSA-N -1 3 329.320 -0.846 20 50 EBGDHM O=C(COC[C@@H]1CCCO1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737915525 945150739 /nfs/dbraw/zinc/15/07/39/945150739.db2.gz CPRCOYGXOMSDGV-LBPRGKRZSA-N -1 3 346.347 -0.177 20 50 EBGDHM O=C(COC[C@@H]1CCCO1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737915525 945150744 /nfs/dbraw/zinc/15/07/44/945150744.db2.gz CPRCOYGXOMSDGV-LBPRGKRZSA-N -1 3 346.347 -0.177 20 50 EBGDHM O=C(NNC(=O)[C@@H](O)c1cccnc1)c1cccc(-c2nnn[n-]2)c1 ZINC000738130696 945211843 /nfs/dbraw/zinc/21/18/43/945211843.db2.gz VIVIELGKRJVSNC-LBPRGKRZSA-N -1 3 339.315 -0.244 20 50 EBGDHM O=C(NNC(=O)[C@@H](O)c1cccnc1)c1cccc(-c2nn[n-]n2)c1 ZINC000738130696 945211851 /nfs/dbraw/zinc/21/18/51/945211851.db2.gz VIVIELGKRJVSNC-LBPRGKRZSA-N -1 3 339.315 -0.244 20 50 EBGDHM CC(=O)CSCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000819782248 945289346 /nfs/dbraw/zinc/28/93/46/945289346.db2.gz JCOPEWZIQIJGOM-UHFFFAOYSA-N -1 3 334.361 -0.050 20 50 EBGDHM CC(=O)CSCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000819782248 945289350 /nfs/dbraw/zinc/28/93/50/945289350.db2.gz JCOPEWZIQIJGOM-UHFFFAOYSA-N -1 3 334.361 -0.050 20 50 EBGDHM C[C@H](NC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N(C)C ZINC000736119537 944743114 /nfs/dbraw/zinc/74/31/14/944743114.db2.gz SHBDPDYQEDICNW-QMMMGPOBSA-N -1 3 346.351 -0.713 20 50 EBGDHM C[C@H](NC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N(C)C ZINC000736119537 944743119 /nfs/dbraw/zinc/74/31/19/944743119.db2.gz SHBDPDYQEDICNW-QMMMGPOBSA-N -1 3 346.351 -0.713 20 50 EBGDHM CCNC(=O)CCCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736572495 944846152 /nfs/dbraw/zinc/84/61/52/944846152.db2.gz CMOADPVOSJBIHM-UHFFFAOYSA-N -1 3 345.363 -0.066 20 50 EBGDHM CCNC(=O)CCCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736572495 944846158 /nfs/dbraw/zinc/84/61/58/944846158.db2.gz CMOADPVOSJBIHM-UHFFFAOYSA-N -1 3 345.363 -0.066 20 50 EBGDHM CN1CC[C@@H](NC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000736856107 944899797 /nfs/dbraw/zinc/89/97/97/944899797.db2.gz MNVRLROGVXOVLS-SNVBAGLBSA-N -1 3 344.335 -0.959 20 50 EBGDHM CN1CC[C@@H](NC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000736856107 944899800 /nfs/dbraw/zinc/89/98/00/944899800.db2.gz MNVRLROGVXOVLS-SNVBAGLBSA-N -1 3 344.335 -0.959 20 50 EBGDHM CNC(=O)NNC(=O)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000736879123 944904386 /nfs/dbraw/zinc/90/43/86/944904386.db2.gz PUQWFOQGXQFRGZ-NSHDSACASA-N -1 3 330.352 -0.204 20 50 EBGDHM Cc1c(C=C(C#N)C(=O)OCCOCCO)cc(-c2nnn[n-]2)n1C ZINC000737212147 944991384 /nfs/dbraw/zinc/99/13/84/944991384.db2.gz HXEALWGHPXJCDN-GHXNOFRVSA-N -1 3 346.347 -0.027 20 50 EBGDHM Cc1c(C=C(C#N)C(=O)OCCOCCO)cc(-c2nn[n-]n2)n1C ZINC000737212147 944991390 /nfs/dbraw/zinc/99/13/90/944991390.db2.gz HXEALWGHPXJCDN-GHXNOFRVSA-N -1 3 346.347 -0.027 20 50 EBGDHM C[C@@H](CN1CCOCC1)C(=O)NN=Cc1ccc(-c2nnn[n-]2)o1 ZINC000820261305 945402145 /nfs/dbraw/zinc/40/21/45/945402145.db2.gz MKTZZMTZXKQUEQ-JTQLQIEISA-N -1 3 333.352 -0.122 20 50 EBGDHM C[C@@H](CN1CCOCC1)C(=O)NN=Cc1ccc(-c2nn[n-]n2)o1 ZINC000820261305 945402151 /nfs/dbraw/zinc/40/21/51/945402151.db2.gz MKTZZMTZXKQUEQ-JTQLQIEISA-N -1 3 333.352 -0.122 20 50 EBGDHM C[C@H](CO)SCC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820288168 945407130 /nfs/dbraw/zinc/40/71/30/945407130.db2.gz UALPBJNZAQDHHL-MRVPVSSYSA-N -1 3 336.377 -0.258 20 50 EBGDHM C[C@H](CO)SCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820288168 945407137 /nfs/dbraw/zinc/40/71/37/945407137.db2.gz UALPBJNZAQDHHL-MRVPVSSYSA-N -1 3 336.377 -0.258 20 50 EBGDHM C[C@@H]1C[C@@H]1C(=O)OCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820667794 945517689 /nfs/dbraw/zinc/51/76/89/945517689.db2.gz NXOXBINYGFHFPQ-KCJUWKMLSA-N -1 3 344.331 -0.173 20 50 EBGDHM C[C@@H]1C[C@@H]1C(=O)OCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820667794 945517695 /nfs/dbraw/zinc/51/76/95/945517695.db2.gz NXOXBINYGFHFPQ-KCJUWKMLSA-N -1 3 344.331 -0.173 20 50 EBGDHM CN1C[C@H](NC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)CC1=O ZINC000821622261 945753409 /nfs/dbraw/zinc/75/34/09/945753409.db2.gz XUKNOHVEBYQGDK-SNVBAGLBSA-N -1 3 344.335 -0.959 20 50 EBGDHM CN1C[C@H](NC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)CC1=O ZINC000821622261 945753420 /nfs/dbraw/zinc/75/34/20/945753420.db2.gz XUKNOHVEBYQGDK-SNVBAGLBSA-N -1 3 344.335 -0.959 20 50 EBGDHM COCCC(=O)OCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821685477 945811672 /nfs/dbraw/zinc/81/16/72/945811672.db2.gz FDIXTVBSYMFCLK-UHFFFAOYSA-N -1 3 348.319 -0.793 20 50 EBGDHM COCCC(=O)OCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821685477 945811694 /nfs/dbraw/zinc/81/16/94/945811694.db2.gz FDIXTVBSYMFCLK-UHFFFAOYSA-N -1 3 348.319 -0.793 20 50 EBGDHM COc1ccc(C=NNC(=O)[C@@H]2COCCO2)cc1-c1nnn[n-]1 ZINC000821786707 945865666 /nfs/dbraw/zinc/86/56/66/945865666.db2.gz HZFZOURUDJWGGV-LBPRGKRZSA-N -1 3 332.320 -0.259 20 50 EBGDHM COc1ccc(C=NNC(=O)[C@@H]2COCCO2)cc1-c1nn[n-]n1 ZINC000821786707 945865674 /nfs/dbraw/zinc/86/56/74/945865674.db2.gz HZFZOURUDJWGGV-LBPRGKRZSA-N -1 3 332.320 -0.259 20 50 EBGDHM O=C(CN1CCC(O)CC1)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000822993929 946253758 /nfs/dbraw/zinc/25/37/58/946253758.db2.gz ZGLFORVHYXMUON-UHFFFAOYSA-N -1 3 345.363 -0.916 20 50 EBGDHM O=C(CN1CCC(O)CC1)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000822993929 946253766 /nfs/dbraw/zinc/25/37/66/946253766.db2.gz ZGLFORVHYXMUON-UHFFFAOYSA-N -1 3 345.363 -0.916 20 50 EBGDHM O=C(CN1CCC[C@H](O)C1)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000822996481 946254915 /nfs/dbraw/zinc/25/49/15/946254915.db2.gz FDTPPZCBJVUABP-LBPRGKRZSA-N -1 3 345.363 -0.916 20 50 EBGDHM O=C(CN1CCC[C@H](O)C1)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000822996481 946254924 /nfs/dbraw/zinc/25/49/24/946254924.db2.gz FDTPPZCBJVUABP-LBPRGKRZSA-N -1 3 345.363 -0.916 20 50 EBGDHM O=C(Cc1cccc(-c2nnn[n-]2)c1)NNC(=O)N1CCOCC1 ZINC000823104201 946312749 /nfs/dbraw/zinc/31/27/49/946312749.db2.gz UOQUXQVJTCDUNO-UHFFFAOYSA-N -1 3 331.336 -0.518 20 50 EBGDHM O=C(Cc1cccc(-c2nn[n-]n2)c1)NNC(=O)N1CCOCC1 ZINC000823104201 946312760 /nfs/dbraw/zinc/31/27/60/946312760.db2.gz UOQUXQVJTCDUNO-UHFFFAOYSA-N -1 3 331.336 -0.518 20 50 EBGDHM O=C(NNC(=O)[C@@H]1COCCO1)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000823273206 946379245 /nfs/dbraw/zinc/37/92/45/946379245.db2.gz HZGVEHGCOGFFBO-JTQLQIEISA-N -1 3 333.308 -0.565 20 50 EBGDHM O=C(NNC(=O)[C@@H]1COCCO1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000823273206 946379259 /nfs/dbraw/zinc/37/92/59/946379259.db2.gz HZGVEHGCOGFFBO-JTQLQIEISA-N -1 3 333.308 -0.565 20 50 EBGDHM CS(=O)(=O)NCCC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826223511 607335759 /nfs/dbraw/zinc/33/57/59/607335759.db2.gz PDMINKHLSJNVFM-UHFFFAOYSA-N -1 3 325.354 -0.751 20 50 EBGDHM CS(=O)(=O)NCCC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826223511 607335761 /nfs/dbraw/zinc/33/57/61/607335761.db2.gz PDMINKHLSJNVFM-UHFFFAOYSA-N -1 3 325.354 -0.751 20 50 EBGDHM C[C@@H](C(=O)NNc1ccc(-c2nn[n-]n2)cc1)N1C(=O)CCC1=O ZINC000824041231 607350857 /nfs/dbraw/zinc/35/08/57/607350857.db2.gz ZVXVTLIHWUVMJG-QMMMGPOBSA-N -1 3 329.320 -0.153 20 50 EBGDHM O=C(CCCN1C(=O)CNC1=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826406482 607723199 /nfs/dbraw/zinc/72/31/99/607723199.db2.gz ZCLTZNOPHRBZQL-UHFFFAOYSA-N -1 3 344.335 -0.358 20 50 EBGDHM O=C(CCCN1C(=O)CNC1=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826406482 607723201 /nfs/dbraw/zinc/72/32/01/607723201.db2.gz ZCLTZNOPHRBZQL-UHFFFAOYSA-N -1 3 344.335 -0.358 20 50 EBGDHM O=C([O-])NCCCC(=O)NNC(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000834232799 605818604 /nfs/dbraw/zinc/81/86/04/605818604.db2.gz YHAQCDPYSYKSKL-MNOVXSKESA-N -1 3 343.384 -0.772 20 50 EBGDHM Cn1cc(C=NNC(=O)COc2ccccc2-c2nnn[n-]2)nn1 ZINC000826359267 607882858 /nfs/dbraw/zinc/88/28/58/607882858.db2.gz BBPVIWYPOLUKLV-UHFFFAOYSA-N -1 3 327.308 -0.476 20 50 EBGDHM Cn1cc(C=NNC(=O)COc2ccccc2-c2nn[n-]n2)nn1 ZINC000826359267 607882859 /nfs/dbraw/zinc/88/28/59/607882859.db2.gz BBPVIWYPOLUKLV-UHFFFAOYSA-N -1 3 327.308 -0.476 20 50 EBGDHM C[C@@H](C#N)CNC(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000824034033 609410566 /nfs/dbraw/zinc/41/05/66/609410566.db2.gz GAHCTLDFTKNGPJ-VIFPVBQESA-N -1 3 344.335 -0.264 20 50 EBGDHM Cn1cc(CC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)cn1 ZINC000737602695 945100496 /nfs/dbraw/zinc/10/04/96/945100496.db2.gz HJLXNVPVMVCREV-UHFFFAOYSA-N -1 3 326.320 -0.396 20 50 EBGDHM Cn1cc(CC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)cn1 ZINC000737602695 945100501 /nfs/dbraw/zinc/10/05/01/945100501.db2.gz HJLXNVPVMVCREV-UHFFFAOYSA-N -1 3 326.320 -0.396 20 50 EBGDHM Cn1nc(C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)ccc1=O ZINC000737621506 945104992 /nfs/dbraw/zinc/10/49/92/945104992.db2.gz IGTZFHFNFQHLLF-UHFFFAOYSA-N -1 3 340.303 -0.965 20 50 EBGDHM Cn1nc(C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)ccc1=O ZINC000737621506 945104998 /nfs/dbraw/zinc/10/49/98/945104998.db2.gz IGTZFHFNFQHLLF-UHFFFAOYSA-N -1 3 340.303 -0.965 20 50 EBGDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NNC(=O)C[C@@H]1CCOC1 ZINC000737919839 945153020 /nfs/dbraw/zinc/15/30/20/945153020.db2.gz YCMWFFUZGFGLCQ-JTQLQIEISA-N -1 3 346.347 -0.181 20 50 EBGDHM CCOCC(=O)NN[C@H](C(=O)OC)c1ccc(-c2nnn[n-]2)cc1 ZINC000736609829 944854624 /nfs/dbraw/zinc/85/46/24/944854624.db2.gz UBSTWAITLUOCDQ-LBPRGKRZSA-N -1 3 334.336 -0.262 20 50 EBGDHM CCOCC(=O)NN[C@H](C(=O)OC)c1ccc(-c2nn[n-]n2)cc1 ZINC000736609829 944854633 /nfs/dbraw/zinc/85/46/33/944854633.db2.gz UBSTWAITLUOCDQ-LBPRGKRZSA-N -1 3 334.336 -0.262 20 50 EBGDHM CN1CC[C@@H](NC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)C1=O ZINC000736854669 944899788 /nfs/dbraw/zinc/89/97/88/944899788.db2.gz GOCYBKQDUJWDCL-SNVBAGLBSA-N -1 3 344.335 -0.959 20 50 EBGDHM CN1CC[C@@H](NC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)C1=O ZINC000736854669 944899791 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